WAY-312092
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C15H18N2OS

>  <MolWeight> (1)
274.38122

>  <PCAT_CMPD_ID> (1)
WAY-312092

>  <CNC_ID> (1)
359315833

>  <transfer_container_id> (1)
PTN000000065

>  <COMPOUND_NUMBER> (1)
WAY-312092

>  <LOCATION_CODE> (1)
PTNCS

>  <AMOUNT_CURRENT> (1)
33

$$$$
WAY-312398
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C20H15NO4

>  <MolWeight> (2)
333.3374

>  <PCAT_CMPD_ID> (2)
WAY-312398

>  <CNC_ID> (2)
359316138

>  <transfer_container_id> (2)
PTN000000065

>  <COMPOUND_NUMBER> (2)
WAY-312398

>  <LOCATION_CODE> (2)
PTNCS

>  <AMOUNT_CURRENT> (2)
33.8

$$$$
WAY-311132
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C13H8FN3OS2

>  <MolWeight> (3)
305.3505232

>  <PCAT_CMPD_ID> (3)
WAY-311132

>  <CNC_ID> (3)
359314873

>  <transfer_container_id> (3)
PTN000000065

>  <COMPOUND_NUMBER> (3)
WAY-311132

>  <LOCATION_CODE> (3)
PTNCS

>  <AMOUNT_CURRENT> (3)
33.6

$$$$
WAY-311766
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C14H18N2O5S

>  <MolWeight> (4)
326.36812

>  <PCAT_CMPD_ID> (4)
WAY-311766

>  <CNC_ID> (4)
359315507

>  <transfer_container_id> (4)
PTN000000065

>  <COMPOUND_NUMBER> (4)
WAY-311766

>  <LOCATION_CODE> (4)
PTNCS

>  <AMOUNT_CURRENT> (4)
33.6

$$$$
WAY-311203
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
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>  <MolWeight> (5)
323.3146296

>  <PCAT_CMPD_ID> (5)
WAY-311203

>  <CNC_ID> (5)
359314944

>  <transfer_container_id> (5)
PTN000000065

>  <COMPOUND_NUMBER> (5)
WAY-311203

>  <LOCATION_CODE> (5)
PTNCS

>  <AMOUNT_CURRENT> (5)
33.1

$$$$
WAY-311485
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C17H12N2O2S

>  <MolWeight> (6)
308.35438

>  <PCAT_CMPD_ID> (6)
WAY-311485

>  <CNC_ID> (6)
359315226

>  <transfer_container_id> (6)
PTN000000065

>  <COMPOUND_NUMBER> (6)
WAY-311485

>  <LOCATION_CODE> (6)
PTNCS

>  <AMOUNT_CURRENT> (6)
33.2

$$$$
WAY-311710
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 13  2  0  0  0  0
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 16 18  1  0  0  0  0
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 25 27  2  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C22H18N2O3

>  <MolWeight> (7)
358.38992

>  <PCAT_CMPD_ID> (7)
WAY-311710

>  <CNC_ID> (7)
359315451

>  <transfer_container_id> (7)
PTN000000065

>  <COMPOUND_NUMBER> (7)
WAY-311710

>  <LOCATION_CODE> (7)
PTNCS

>  <AMOUNT_CURRENT> (7)
33.5

$$$$
WAY-345017
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10 14  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 18  2  0  0  0  0
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 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
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 22  5  1  0  0  0  0
 23  6  1  0  0  0  0
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  2  6  1  0  0  0  0
 20 21  2  0  0  0  0
 27 23  2  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C23H18N2O2

>  <MolWeight> (8)
354.40122

>  <PCAT_CMPD_ID> (8)
WAY-345017

>  <CNC_ID> (8)
359320327

>  <transfer_container_id> (8)
PTN000000065

>  <COMPOUND_NUMBER> (8)
WAY-345017

>  <LOCATION_CODE> (8)
PTNCS

>  <AMOUNT_CURRENT> (8)
32.1

$$$$
WAY-345239
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11  6  2  0  0  0  0
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 14  3  1  0  0  0  0
 15  1  2  0  0  0  0
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 18  4  1  0  0  0  0
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 26  8  2  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C22H20N4O4

>  <MolWeight> (9)
404.4186

>  <PCAT_CMPD_ID> (9)
WAY-345239

>  <CNC_ID> (9)
359320538

>  <transfer_container_id> (9)
PTN000000065

>  <COMPOUND_NUMBER> (9)
WAY-345239

>  <LOCATION_CODE> (9)
PTNCS

>  <AMOUNT_CURRENT> (9)
32.4

$$$$
WAY-311512
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C21H21F2N3O3S

>  <MolWeight> (10)
433.4715464

>  <PCAT_CMPD_ID> (10)
WAY-311512

>  <CNC_ID> (10)
359315253

>  <transfer_container_id> (10)
PTN000000065

>  <COMPOUND_NUMBER> (10)
WAY-311512

>  <LOCATION_CODE> (10)
PTNCS

>  <AMOUNT_CURRENT> (10)
33.7

$$$$
WAY-311596
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 15 17  2  0  0  0  0
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 22 24  1  0  0  0  0
  6  7  1  0  0  0  0
  9 14  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C17H16N2O4S

>  <MolWeight> (11)
344.38494

>  <PCAT_CMPD_ID> (11)
WAY-311596

>  <CNC_ID> (11)
359315337

>  <transfer_container_id> (11)
PTN000000065

>  <COMPOUND_NUMBER> (11)
WAY-311596

>  <LOCATION_CODE> (11)
PTNCS

>  <AMOUNT_CURRENT> (11)
33.6

$$$$
WAY-117236
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
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 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 14 19  2  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C17H14N2O4S2

>  <MolWeight> (12)
374.43406

>  <PCAT_CMPD_ID> (12)
WAY-117236

>  <CNC_ID> (12)
359313722

>  <transfer_container_id> (12)
PTN000000065

>  <COMPOUND_NUMBER> (12)
WAY-117236

>  <LOCATION_CODE> (12)
PTNCS

>  <AMOUNT_CURRENT> (12)
33.6

$$$$
WAY-343728
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 19  9  1  0  0  0  0
 33 32  2  0  0  0  0
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 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (13)
13

>  <Formula> (13)
C25H26FN3O3S

>  <MolWeight> (13)
467.5556432

>  <PCAT_CMPD_ID> (13)
WAY-343728

>  <CNC_ID> (13)
359319069

>  <transfer_container_id> (13)
PTN000000065

>  <COMPOUND_NUMBER> (13)
WAY-343728

>  <LOCATION_CODE> (13)
PTNCS

>  <AMOUNT_CURRENT> (13)
32.6

$$$$
WAY-216062
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 27 14  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C22H22ClN3O4

>  <MolWeight> (14)
427.88078

>  <PCAT_CMPD_ID> (14)
WAY-216062

>  <CNC_ID> (14)
359313779

>  <transfer_container_id> (14)
PTN000000065

>  <COMPOUND_NUMBER> (14)
WAY-216062

>  <LOCATION_CODE> (14)
PTNCS

>  <AMOUNT_CURRENT> (14)
33.9

$$$$
WAY-345298
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14 10  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 17  1  0  0  0  0
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 23 21  1  0  0  0  0
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 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C18H24N2O2S

>  <MolWeight> (15)
332.46036

>  <PCAT_CMPD_ID> (15)
WAY-345298

>  <CNC_ID> (15)
359320591

>  <transfer_container_id> (15)
PTN000000065

>  <COMPOUND_NUMBER> (15)
WAY-345298

>  <LOCATION_CODE> (15)
PTNCS

>  <AMOUNT_CURRENT> (15)
32.5

$$$$
WL-189961
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   -4.1042   -0.9391    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  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 14 18  1  0  0  0  0
  5  7  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C15H15NO2

>  <MolWeight> (16)
241.2851

>  <PCAT_CMPD_ID> (16)
WL-189961

>  <CNC_ID> (16)
359326673

>  <transfer_container_id> (16)
PTN000000065

>  <COMPOUND_NUMBER> (16)
WL-189961

>  <LOCATION_CODE> (16)
PTNCS

>  <AMOUNT_CURRENT> (16)
33.2

$$$$
WAY-345214
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.0917    0.3583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  2  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  2  0  0  0  0
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 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
 17 19  1  0  0  0  0
 21 22  2  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C18H16FNO3S

>  <MolWeight> (17)
345.3879432

>  <PCAT_CMPD_ID> (17)
WAY-345214

>  <CNC_ID> (17)
359320516

>  <transfer_container_id> (17)
PTN000000065

>  <COMPOUND_NUMBER> (17)
WAY-345214

>  <LOCATION_CODE> (17)
PTNCS

>  <AMOUNT_CURRENT> (17)
32.4

$$$$
WAY-344623
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.9667   -5.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
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 14  3  1  0  0  0  0
 15  7  2  0  0  0  0
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 22  1  1  0  0  0  0
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 27 13  2  0  0  0  0
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 21 17  1  0  0  0  0
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 30 27  1  0  0  0  0
M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C22H24N6OS

>  <MolWeight> (18)
420.53056

>  <PCAT_CMPD_ID> (18)
WAY-344623

>  <CNC_ID> (18)
359319940

>  <transfer_container_id> (18)
PTN000000065

>  <COMPOUND_NUMBER> (18)
WAY-344623

>  <LOCATION_CODE> (18)
PTNCS

>  <AMOUNT_CURRENT> (18)
32.6

$$$$
WAY-311743
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C16H13N3OS

>  <MolWeight> (19)
295.35892

>  <PCAT_CMPD_ID> (19)
WAY-311743

>  <CNC_ID> (19)
359315484

>  <transfer_container_id> (19)
PTN000000065

>  <COMPOUND_NUMBER> (19)
WAY-311743

>  <LOCATION_CODE> (19)
PTNCS

>  <AMOUNT_CURRENT> (19)
33.2

$$$$
WAY-311296-A
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 15 20  1  0  0  0  0
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 27 28  1  0  0  0  0
  6  7  1  0  0  0  0
 17 21  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C21H22N2O5

>  <MolWeight> (20)
382.40978

>  <PCAT_CMPD_ID> (20)
WAY-311296-A

>  <CNC_ID> (20)
359315037

>  <transfer_container_id> (20)
PTN000000065

>  <COMPOUND_NUMBER> (20)
WAY-311296-A

>  <LOCATION_CODE> (20)
PTNCS

>  <AMOUNT_CURRENT> (20)
33.9

$$$$
WAY-225104
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 16  1  0  0  0  0
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 17 20  1  0  0  0  0
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 25 26  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C20H16N2O4

>  <MolWeight> (21)
348.35204

>  <PCAT_CMPD_ID> (21)
WAY-225104

>  <CNC_ID> (21)
359313852

>  <transfer_container_id> (21)
PTN000000065

>  <COMPOUND_NUMBER> (21)
WAY-225104

>  <LOCATION_CODE> (21)
PTNCS

>  <AMOUNT_CURRENT> (21)
33.8

$$$$
WAY-310850
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.2670   -1.8405    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15 12  2  0  0  0  0
 16  4  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19 14  1  0  0  0  0
 20  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 19  1  0  0  0  0
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 25 16  2  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  2  0  0  0  0
 29 27  2  0  0  0  0
  2  5  1  0  0  0  0
 18 26  2  0  0  0  0
 22 15  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C24H22N2O3

>  <MolWeight> (22)
386.44308

>  <PCAT_CMPD_ID> (22)
WAY-310850

>  <CNC_ID> (22)
359314592

>  <transfer_container_id> (22)
PTN000000065

>  <COMPOUND_NUMBER> (22)
WAY-310850

>  <LOCATION_CODE> (22)
PTNCS

>  <AMOUNT_CURRENT> (22)
33.4

$$$$
WAY-310988
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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 13 16  1  0  0  0  0
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 23 24  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C16H16N2O5S

>  <MolWeight> (23)
348.37364

>  <PCAT_CMPD_ID> (23)
WAY-310988

>  <CNC_ID> (23)
359314730

>  <transfer_container_id> (23)
PTN000000065

>  <COMPOUND_NUMBER> (23)
WAY-310988

>  <LOCATION_CODE> (23)
PTNCS

>  <AMOUNT_CURRENT> (23)
33.5

$$$$
WAY-312450
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C20H14FNO3S

>  <MolWeight> (24)
367.3934632

>  <PCAT_CMPD_ID> (24)
WAY-312450

>  <CNC_ID> (24)
359316190

>  <transfer_container_id> (24)
PTN000000065

>  <COMPOUND_NUMBER> (24)
WAY-312450

>  <LOCATION_CODE> (24)
PTNCS

>  <AMOUNT_CURRENT> (24)
33.8

$$$$
WAY-311846
csChFnd80/10101909502D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C25H23NO4

>  <MolWeight> (25)
401.45442

>  <PCAT_CMPD_ID> (25)
WAY-311846

>  <CNC_ID> (25)
359315587

>  <transfer_container_id> (25)
PTN000000065

>  <COMPOUND_NUMBER> (25)
WAY-311846

>  <LOCATION_CODE> (25)
PTNCS

>  <AMOUNT_CURRENT> (25)
33.6

$$$$
WAY-310638-A
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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 20 22  1  0  0  0  0
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C17H28N2O2S

>  <MolWeight> (26)
324.48142

>  <PCAT_CMPD_ID> (26)
WAY-310638-A

>  <CNC_ID> (26)
359314379

>  <transfer_container_id> (26)
PTN000000065

>  <COMPOUND_NUMBER> (26)
WAY-310638-A

>  <LOCATION_CODE> (26)
PTNCS

>  <AMOUNT_CURRENT> (26)
33.4

$$$$
WAY-344660
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
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 15  4  2  0  0  0  0
 16  3  1  0  0  0  0
 17  7  1  0  0  0  0
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 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C20H21NO4

>  <MolWeight> (27)
339.38504

>  <PCAT_CMPD_ID> (27)
WAY-344660

>  <CNC_ID> (27)
359319974

>  <transfer_container_id> (27)
PTN000000065

>  <COMPOUND_NUMBER> (27)
WAY-344660

>  <LOCATION_CODE> (27)
PTNCS

>  <AMOUNT_CURRENT> (27)
33

$$$$
WAY-344553
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 13 20  1  0  0  0  0
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M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C23H21N3O5

>  <MolWeight> (28)
419.42994

>  <PCAT_CMPD_ID> (28)
WAY-344553

>  <CNC_ID> (28)
359319876

>  <transfer_container_id> (28)
PTN000000065

>  <COMPOUND_NUMBER> (28)
WAY-344553

>  <LOCATION_CODE> (28)
PTNCS

>  <AMOUNT_CURRENT> (28)
32.9

$$$$
WAY-310324
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   -4.6069   -1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 11 13  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C19H21FN2OS

>  <MolWeight> (29)
344.4462432

>  <PCAT_CMPD_ID> (29)
WAY-310324

>  <CNC_ID> (29)
359314065

>  <transfer_container_id> (29)
PTN000000065

>  <COMPOUND_NUMBER> (29)
WAY-310324

>  <LOCATION_CODE> (29)
PTNCS

>  <AMOUNT_CURRENT> (29)
33.1

$$$$
WAY-311558
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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  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
  7 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  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7  9  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C17H18ClNOS

>  <MolWeight> (30)
319.84892

>  <PCAT_CMPD_ID> (30)
WAY-311558

>  <CNC_ID> (30)
359315299

>  <transfer_container_id> (30)
PTN000000065

>  <COMPOUND_NUMBER> (30)
WAY-311558

>  <LOCATION_CODE> (30)
PTNCS

>  <AMOUNT_CURRENT> (30)
33.1

$$$$
WAY-311428
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.8690    1.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 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
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 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C20H24N2O3

>  <MolWeight> (31)
340.41616

>  <PCAT_CMPD_ID> (31)
WAY-311428

>  <CNC_ID> (31)
359315169

>  <transfer_container_id> (31)
PTN000000065

>  <COMPOUND_NUMBER> (31)
WAY-311428

>  <LOCATION_CODE> (31)
PTNCS

>  <AMOUNT_CURRENT> (31)
33.2

$$$$
WAY-311321
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  7  9  1  0  0  0  0
 18 19  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C25H32N2O4

>  <MolWeight> (32)
424.53258

>  <PCAT_CMPD_ID> (32)
WAY-311321

>  <CNC_ID> (32)
359315062

>  <transfer_container_id> (32)
PTN000000065

>  <COMPOUND_NUMBER> (32)
WAY-311321

>  <LOCATION_CODE> (32)
PTNCS

>  <AMOUNT_CURRENT> (32)
33.6

$$$$
WAY-313031
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  9  1  0  0  0  0
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 13 12  1  0  0  0  0
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 15  6  2  0  0  0  0
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 17  8  2  0  0  0  0
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  6  8  1  0  0  0  0
 20 21  2  0  0  0  0
 18 12  1  0  0  0  0
M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C16H15NO4

>  <MolWeight> (33)
285.2946

>  <PCAT_CMPD_ID> (33)
WAY-313031

>  <CNC_ID> (33)
359328068

>  <transfer_container_id> (33)
PTN000000067

>  <COMPOUND_NUMBER> (33)
WAY-313031

>  <LOCATION_CODE> (33)
PTNCS

>  <AMOUNT_CURRENT> (33)
33.8

$$$$
WAY-218560
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C19H22N2O5S

>  <MolWeight> (34)
390.45338

>  <PCAT_CMPD_ID> (34)
WAY-218560

>  <CNC_ID> (34)
359313817

>  <transfer_container_id> (34)
PTN000000065

>  <COMPOUND_NUMBER> (34)
WAY-218560

>  <LOCATION_CODE> (34)
PTNCS

>  <AMOUNT_CURRENT> (34)
33.1

$$$$
WAY-226929
csChFnd80/10101909502D

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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C18H14N4O2

>  <MolWeight> (35)
318.32936

>  <PCAT_CMPD_ID> (35)
WAY-226929

>  <CNC_ID> (35)
359313862

>  <transfer_container_id> (35)
PTN000000065

>  <COMPOUND_NUMBER> (35)
WAY-226929

>  <LOCATION_CODE> (35)
PTNCS

>  <AMOUNT_CURRENT> (35)
33.7

$$$$
WAY-312482
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C13H11N5O2

>  <MolWeight> (36)
269.25874

>  <PCAT_CMPD_ID> (36)
WAY-312482

>  <CNC_ID> (36)
359316222

>  <transfer_container_id> (36)
PTN000000065

>  <COMPOUND_NUMBER> (36)
WAY-312482

>  <LOCATION_CODE> (36)
PTNCS

>  <AMOUNT_CURRENT> (36)
33.5

$$$$
CL-405727
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C10H7N5O2

>  <MolWeight> (37)
229.19488

>  <PCAT_CMPD_ID> (37)
CL-405727

>  <CNC_ID> (37)
359313594

>  <transfer_container_id> (37)
PTN000000065

>  <COMPOUND_NUMBER> (37)
CL-405727

>  <LOCATION_CODE> (37)
PTNCS

>  <AMOUNT_CURRENT> (37)
33.5

$$$$
CL-416077
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C20H25ClN4O3

>  <MolWeight> (38)
404.8905

>  <PCAT_CMPD_ID> (38)
CL-416077

>  <CNC_ID> (38)
359313613

>  <transfer_container_id> (38)
PTN000000065

>  <COMPOUND_NUMBER> (38)
CL-416077

>  <LOCATION_CODE> (38)
PTNCS

>  <AMOUNT_CURRENT> (38)
33.7

$$$$
WAY-344385
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 15  6  1  0  0  0  0
 16  6  2  0  0  0  0
 17 19  2  0  0  0  0
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 12 14  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C14H14N4OS

>  <MolWeight> (39)
286.35216

>  <PCAT_CMPD_ID> (39)
WAY-344385

>  <CNC_ID> (39)
359319720

>  <transfer_container_id> (39)
PTN000000065

>  <COMPOUND_NUMBER> (39)
WAY-344385

>  <LOCATION_CODE> (39)
PTNCS

>  <AMOUNT_CURRENT> (39)
32.6

$$$$
WAY-344970
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 11 12  2  0  0  0  0
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 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
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 17  4  2  0  0  0  0
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 22  6  1  0  0  0  0
 23  6  2  0  0  0  0
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 26 16  1  0  0  0  0
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 29 25  1  0  0  0  0
 30 15  1  0  0  0  0
 25 28  1  0  0  0  0
  7 15  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C19H16ClF2NO6S

>  <MolWeight> (40)
459.8482464

>  <PCAT_CMPD_ID> (40)
WAY-344970

>  <CNC_ID> (40)
359320280

>  <transfer_container_id> (40)
PTN000000065

>  <COMPOUND_NUMBER> (40)
WAY-344970

>  <LOCATION_CODE> (40)
PTNCS

>  <AMOUNT_CURRENT> (40)
32.4

$$$$
WAY-113975
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  5  1  1  0  0  0  0
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  7  5  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  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
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 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C15H17NO

>  <MolWeight> (41)
227.30158

>  <PCAT_CMPD_ID> (41)
WAY-113975

>  <CNC_ID> (41)
359313691

>  <transfer_container_id> (41)
PTN000000065

>  <COMPOUND_NUMBER> (41)
WAY-113975

>  <LOCATION_CODE> (41)
PTNCS

>  <AMOUNT_CURRENT> (41)
33.3

$$$$
WAY-344585
csChFnd80/10101909502D

 32 34  0  0  0  0  0  0  0  0999 V2000
   12.7417   -6.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
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 15  5  1  0  0  0  0
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 22  3  1  0  0  0  0
 23  3  1  0  0  0  0
 24  3  1  0  0  0  0
 25  5  2  0  0  0  0
 26  4  2  0  0  0  0
 27  8  2  0  0  0  0
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 32 29  2  0  0  0  0
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 27 31  1  0  0  0  0
 32 28  1  0  0  0  0
M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C21H16F3N3O5

>  <MolWeight> (42)
447.3640496

>  <PCAT_CMPD_ID> (42)
WAY-344585

>  <CNC_ID> (42)
359319903

>  <transfer_container_id> (42)
PTN000000065

>  <COMPOUND_NUMBER> (42)
WAY-344585

>  <LOCATION_CODE> (42)
PTNCS

>  <AMOUNT_CURRENT> (42)
32.2

$$$$
WAY-217157
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 11  4  1  0  0  0  0
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 10  1  1  0  0  0  0
M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C14H18N2O2

>  <MolWeight> (43)
246.30492

>  <PCAT_CMPD_ID> (43)
WAY-217157

>  <CNC_ID> (43)
359313799

>  <transfer_container_id> (43)
PTN000000065

>  <COMPOUND_NUMBER> (43)
WAY-217157

>  <LOCATION_CODE> (43)
PTNCS

>  <AMOUNT_CURRENT> (43)
33

$$$$
WAY-345441
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 23 11  1  0  0  0  0
  5  7  2  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C16H15BrClNO4

>  <MolWeight> (44)
400.6516

>  <PCAT_CMPD_ID> (44)
WAY-345441

>  <CNC_ID> (44)
359320711

>  <transfer_container_id> (44)
PTN000000065

>  <COMPOUND_NUMBER> (44)
WAY-345441

>  <LOCATION_CODE> (44)
PTNCS

>  <AMOUNT_CURRENT> (44)
32.9

$$$$
WAY-344827
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    7.6125   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -8.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  7  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  3  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  2  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  2  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  0  0  0  0
 20  7  2  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 16  1  0  0  0  0
 24 15  1  0  0  0  0
 25 17  1  0  0  0  0
 26 25  2  0  0  0  0
 27 23  1  0  0  0  0
 18  9  2  0  0  0  0
 26 20  1  0  0  0  0
 27 24  1  0  0  0  0
M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C20H25N3O3S

>  <MolWeight> (45)
387.4958

>  <PCAT_CMPD_ID> (45)
WAY-344827

>  <CNC_ID> (45)
359320138

>  <transfer_container_id> (45)
PTN000000065

>  <COMPOUND_NUMBER> (45)
WAY-344827

>  <LOCATION_CODE> (45)
PTNCS

>  <AMOUNT_CURRENT> (45)
32.4

$$$$
WAY-344532
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
   12.4000  -12.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500  -10.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1167    1.5958    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 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  0  0  0  0
 20 18  2  0  0  0  0
 12  8  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C15H12FNO3

>  <MolWeight> (46)
273.2590832

>  <PCAT_CMPD_ID> (46)
WAY-344532

>  <CNC_ID> (46)
359319855

>  <transfer_container_id> (46)
PTN000000065

>  <COMPOUND_NUMBER> (46)
WAY-344532

>  <LOCATION_CODE> (46)
PTNCS

>  <AMOUNT_CURRENT> (46)
32.2

$$$$
WAY-343834
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.9580    0.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  2  0  0  0  0
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 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (47)
47

>  <Formula> (47)
C13H10N4O3S2

>  <MolWeight> (47)
334.3735

>  <PCAT_CMPD_ID> (47)
WAY-343834

>  <CNC_ID> (47)
359319175

>  <transfer_container_id> (47)
PTN000000065

>  <COMPOUND_NUMBER> (47)
WAY-343834

>  <LOCATION_CODE> (47)
PTNCS

>  <AMOUNT_CURRENT> (47)
32.6

$$$$
WAY-345566
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   10.0167   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 17  2  0  0  0  0
 22 21  1  0  0  0  0
  5  4  1  0  0  0  0
 20 16  2  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (48)
48

>  <Formula> (48)
C16H12ClN3O2

>  <MolWeight> (48)
313.73838

>  <PCAT_CMPD_ID> (48)
WAY-345566

>  <CNC_ID> (48)
359320823

>  <transfer_container_id> (48)
PTN000000065

>  <COMPOUND_NUMBER> (48)
WAY-345566

>  <LOCATION_CODE> (48)
PTNCS

>  <AMOUNT_CURRENT> (48)
32.7

$$$$
WAY-344993
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.9875   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13 21  1  0  0  0  0
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 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  6  2  0  0  0  0
 18  8  2  0  0  0  0
 19  3  1  0  0  0  0
 20  9  2  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (49)
49

>  <Formula> (49)
C18H17ClFNO5S

>  <MolWeight> (49)
413.8476832

>  <PCAT_CMPD_ID> (49)
WAY-344993

>  <CNC_ID> (49)
359320303

>  <transfer_container_id> (49)
PTN000000065

>  <COMPOUND_NUMBER> (49)
WAY-344993

>  <LOCATION_CODE> (49)
PTNCS

>  <AMOUNT_CURRENT> (49)
32.1

$$$$
WAY-312520
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  2  0  0  0  0
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 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
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 22  3  1  0  0  0  0
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  7  4  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C17H14ClNO3

>  <MolWeight> (50)
315.75096

>  <PCAT_CMPD_ID> (50)
WAY-312520

>  <CNC_ID> (50)
359316259

>  <transfer_container_id> (50)
PTN000000065

>  <COMPOUND_NUMBER> (50)
WAY-312520

>  <LOCATION_CODE> (50)
PTNCS

>  <AMOUNT_CURRENT> (50)
33.3

$$$$
WAY-311538
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  6 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C18H20N2

>  <MolWeight> (51)
264.3648

>  <PCAT_CMPD_ID> (51)
WAY-311538

>  <CNC_ID> (51)
359315279

>  <transfer_container_id> (51)
PTN000000065

>  <COMPOUND_NUMBER> (51)
WAY-311538

>  <LOCATION_CODE> (51)
PTNCS

>  <AMOUNT_CURRENT> (51)
33.5

$$$$
WAY-343822
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.2792   -6.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  4  2  0  0  0  0
 13  3  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16  4  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
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 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  7 15  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C15H19N3O3

>  <MolWeight> (52)
289.32966

>  <PCAT_CMPD_ID> (52)
WAY-343822

>  <CNC_ID> (52)
359319163

>  <transfer_container_id> (52)
PTN000000065

>  <COMPOUND_NUMBER> (52)
WAY-343822

>  <LOCATION_CODE> (52)
PTNCS

>  <AMOUNT_CURRENT> (52)
32.6

$$$$
WAY-344462
csChFnd80/10101909502D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.8042    2.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  2  0  0  0  0
 11  4  2  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14  1  1  0  0  0  0
 15 17  1  0  0  0  0
 16  6  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
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 22  3  1  0  0  0  0
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 25 23  1  0  0  0  0
 26 18  1  0  0  0  0
 19 25  2  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C20H20F3NO2

>  <MolWeight> (53)
363.3735096

>  <PCAT_CMPD_ID> (53)
WAY-344462

>  <CNC_ID> (53)
359319796

>  <transfer_container_id> (53)
PTN000000065

>  <COMPOUND_NUMBER> (53)
WAY-344462

>  <LOCATION_CODE> (53)
PTNCS

>  <AMOUNT_CURRENT> (53)
32.3

$$$$
WAY-312303-A
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
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 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C12H22N2O

>  <MolWeight> (54)
210.31588

>  <PCAT_CMPD_ID> (54)
WAY-312303-A

>  <CNC_ID> (54)
359316043

>  <transfer_container_id> (54)
PTN000000065

>  <COMPOUND_NUMBER> (54)
WAY-312303-A

>  <LOCATION_CODE> (54)
PTNCS

>  <AMOUNT_CURRENT> (54)
33

$$$$
WAY-312293
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C13H12FNOS

>  <MolWeight> (55)
249.3038832

>  <PCAT_CMPD_ID> (55)
WAY-312293

>  <CNC_ID> (55)
359316033

>  <transfer_container_id> (55)
PTN000000065

>  <COMPOUND_NUMBER> (55)
WAY-312293

>  <LOCATION_CODE> (55)
PTNCS

>  <AMOUNT_CURRENT> (55)
33

$$$$
WAY-345437
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
 11  6  1  0  0  0  0
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 14  9  1  0  0  0  0
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 17  5  2  0  0  0  0
 18  7  1  0  0  0  0
 19  9  2  0  0  0  0
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 27 26  1  0  0  0  0
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M  END
>  <Mol_ID> (56)
56

>  <Formula> (56)
C23H18N2O3

>  <MolWeight> (56)
370.40062

>  <PCAT_CMPD_ID> (56)
WAY-345437

>  <CNC_ID> (56)
359320707

>  <transfer_container_id> (56)
PTN000000065

>  <COMPOUND_NUMBER> (56)
WAY-345437

>  <LOCATION_CODE> (56)
PTNCS

>  <AMOUNT_CURRENT> (56)
32.6

$$$$
WAY-343737
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  2  2  0  0  0  0
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 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  2  0  0  0  0
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 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
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M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C16H18BrNO

>  <MolWeight> (57)
320.22422

>  <PCAT_CMPD_ID> (57)
WAY-343737

>  <CNC_ID> (57)
359319078

>  <transfer_container_id> (57)
PTN000000065

>  <COMPOUND_NUMBER> (57)
WAY-343737

>  <LOCATION_CODE> (57)
PTNCS

>  <AMOUNT_CURRENT> (57)
32.4

$$$$
WAY-312294-A
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C19H25N3O

>  <MolWeight> (58)
311.4213

>  <PCAT_CMPD_ID> (58)
WAY-312294-A

>  <CNC_ID> (58)
359316034

>  <transfer_container_id> (58)
PTN000000065

>  <COMPOUND_NUMBER> (58)
WAY-312294-A

>  <LOCATION_CODE> (58)
PTNCS

>  <AMOUNT_CURRENT> (58)
33.7

$$$$
GI-569892
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C14H20N2O4

>  <MolWeight> (59)
280.3196

>  <PCAT_CMPD_ID> (59)
GI-569892

>  <CNC_ID> (59)
359313666

>  <transfer_container_id> (59)
PTN000000065

>  <COMPOUND_NUMBER> (59)
GI-569892

>  <LOCATION_CODE> (59)
PTNCS

>  <AMOUNT_CURRENT> (59)
33.4

$$$$
WAY-312555
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C13H18N2O3

>  <MolWeight> (60)
250.29362

>  <PCAT_CMPD_ID> (60)
WAY-312555

>  <CNC_ID> (60)
359316294

>  <transfer_container_id> (60)
PTN000000065

>  <COMPOUND_NUMBER> (60)
WAY-312555

>  <LOCATION_CODE> (60)
PTNCS

>  <AMOUNT_CURRENT> (60)
33.8

$$$$
WAY-312259
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C20H23NO3

>  <MolWeight> (61)
325.40152

>  <PCAT_CMPD_ID> (61)
WAY-312259

>  <CNC_ID> (61)
359315999

>  <transfer_container_id> (61)
PTN000000065

>  <COMPOUND_NUMBER> (61)
WAY-312259

>  <LOCATION_CODE> (61)
PTNCS

>  <AMOUNT_CURRENT> (61)
33.1

$$$$
WAY-311489
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
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  7 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (62)
62

>  <Formula> (62)
C17H20N2O2

>  <MolWeight> (62)
284.3529

>  <PCAT_CMPD_ID> (62)
WAY-311489

>  <CNC_ID> (62)
359315230

>  <transfer_container_id> (62)
PTN000000065

>  <COMPOUND_NUMBER> (62)
WAY-311489

>  <LOCATION_CODE> (62)
PTNCS

>  <AMOUNT_CURRENT> (62)
33.1

$$$$
WAY-345337
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
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 13  9  1  0  0  0  0
 14 17  1  0  0  0  0
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 17 12  2  0  0  0  0
 18 14  2  0  0  0  0
 19  6  1  0  0  0  0
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 21  7  2  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
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 25 21  1  0  0  0  0
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 24 20  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (63)
63

>  <Formula> (63)
C20H21NO4

>  <MolWeight> (63)
339.38504

>  <PCAT_CMPD_ID> (63)
WAY-345337

>  <CNC_ID> (63)
359320609

>  <transfer_container_id> (63)
PTN000000065

>  <COMPOUND_NUMBER> (63)
WAY-345337

>  <LOCATION_CODE> (63)
PTNCS

>  <AMOUNT_CURRENT> (63)
32.4

$$$$
CL-405797
csChFnd80/10101909502D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (64)
64

>  <Formula> (64)
C14H19NO6

>  <MolWeight> (64)
297.30376

>  <PCAT_CMPD_ID> (64)
CL-405797

>  <CNC_ID> (64)
359326720

>  <transfer_container_id> (64)
PTN000000067

>  <COMPOUND_NUMBER> (64)
CL-405797

>  <LOCATION_CODE> (64)
PTNCS

>  <AMOUNT_CURRENT> (64)
33.2

$$$$
WAY-310999-A
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (65)
65

>  <Formula> (65)
C14H20N2O3

>  <MolWeight> (65)
264.3202

>  <PCAT_CMPD_ID> (65)
WAY-310999-A

>  <CNC_ID> (65)
359314741

>  <transfer_container_id> (65)
PTN000000065

>  <COMPOUND_NUMBER> (65)
WAY-310999-A

>  <LOCATION_CODE> (65)
PTNCS

>  <AMOUNT_CURRENT> (65)
33.7

$$$$
WAY-345256
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  6  1  0  0  0  0
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  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14 10  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17 21  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20 14  1  0  0  0  0
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 15  6  2  0  0  0  0
 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (66)
66

>  <Formula> (66)
C19H21ClN2O4S

>  <MolWeight> (66)
408.89904

>  <PCAT_CMPD_ID> (66)
WAY-345256

>  <CNC_ID> (66)
359320548

>  <transfer_container_id> (66)
PTN000000065

>  <COMPOUND_NUMBER> (66)
WAY-345256

>  <LOCATION_CODE> (66)
PTNCS

>  <AMOUNT_CURRENT> (66)
32.9

$$$$
WAY-345204
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   14.3167    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
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  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14 15  1  0  0  0  0
 15  7  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18 23  1  0  0  0  0
 19 18  1  0  0  0  0
 20  1  1  0  0  0  0
 21 16  2  0  0  0  0
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 23 22  2  0  0  0  0
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  5  4  1  0  0  0  0
 12 17  2  0  0  0  0
 24 18  2  0  0  0  0
M  END
>  <Mol_ID> (67)
67

>  <Formula> (67)
C18H13BrO5

>  <MolWeight> (67)
389.19682

>  <PCAT_CMPD_ID> (67)
WAY-345204

>  <CNC_ID> (67)
359320506

>  <transfer_container_id> (67)
PTN000000065

>  <COMPOUND_NUMBER> (67)
WAY-345204

>  <LOCATION_CODE> (67)
PTNCS

>  <AMOUNT_CURRENT> (67)
32.7

$$$$
WAY-311078
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.7828    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (68)
68

>  <Formula> (68)
C9H11NO2S

>  <MolWeight> (68)
197.25414

>  <PCAT_CMPD_ID> (68)
WAY-311078

>  <CNC_ID> (68)
359314820

>  <transfer_container_id> (68)
PTN000000065

>  <COMPOUND_NUMBER> (68)
WAY-311078

>  <LOCATION_CODE> (68)
PTNCS

>  <AMOUNT_CURRENT> (68)
33.6

$$$$
WAY-345067
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.3298    3.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  5  1  2  0  0  0  0
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 10  6  2  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  3  1  0  0  0  0
 14 12  1  0  0  0  0
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 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
  7  3  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C13H9BrO3S

>  <MolWeight> (69)
325.17776

>  <PCAT_CMPD_ID> (69)
WAY-345067

>  <CNC_ID> (69)
359320377

>  <transfer_container_id> (69)
PTN000000065

>  <COMPOUND_NUMBER> (69)
WAY-345067

>  <LOCATION_CODE> (69)
PTNCS

>  <AMOUNT_CURRENT> (69)
32.6

$$$$
WAY-345189
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
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 26 25  1  0  0  0  0
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 23 17  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C19H17N3O4

>  <MolWeight> (70)
351.35598

>  <PCAT_CMPD_ID> (70)
WAY-345189

>  <CNC_ID> (70)
359320492

>  <transfer_container_id> (70)
PTN000000065

>  <COMPOUND_NUMBER> (70)
WAY-345189

>  <LOCATION_CODE> (70)
PTNCS

>  <AMOUNT_CURRENT> (70)
32.5

$$$$
WAY-312080
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
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 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 14 18  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C13H14N2O3

>  <MolWeight> (71)
246.26186

>  <PCAT_CMPD_ID> (71)
WAY-312080

>  <CNC_ID> (71)
359315821

>  <transfer_container_id> (71)
PTN000000065

>  <COMPOUND_NUMBER> (71)
WAY-312080

>  <LOCATION_CODE> (71)
PTNCS

>  <AMOUNT_CURRENT> (71)
33.1

$$$$
WAY-344859-A
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  4  2  0  0  0  0
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 22  2  2  0  0  0  0
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 14  3  1  0  0  0  0
 16 24  1  0  0  0  0
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M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C19H20BrClN2O

>  <MolWeight> (72)
407.7319

>  <PCAT_CMPD_ID> (72)
WAY-344859-A

>  <CNC_ID> (72)
359320170

>  <transfer_container_id> (72)
PTN000000065

>  <COMPOUND_NUMBER> (72)
WAY-344859-A

>  <LOCATION_CODE> (72)
PTNCS

>  <AMOUNT_CURRENT> (72)
32.1

$$$$
WAY-311730
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  4  9  2  0  0  0  0
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  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 17 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C21H21FN2O

>  <MolWeight> (73)
336.4026432

>  <PCAT_CMPD_ID> (73)
WAY-311730

>  <CNC_ID> (73)
359315471

>  <transfer_container_id> (73)
PTN000000065

>  <COMPOUND_NUMBER> (73)
WAY-311730

>  <LOCATION_CODE> (73)
PTNCS

>  <AMOUNT_CURRENT> (73)
33.2

$$$$
WAY-311347
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8207   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
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 13 17  1  0  0  0  0
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 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
  8 10  2  0  0  0  0
 17 18  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C18H15N3O2S

>  <MolWeight> (74)
337.3956

>  <PCAT_CMPD_ID> (74)
WAY-311347

>  <CNC_ID> (74)
359315088

>  <transfer_container_id> (74)
PTN000000065

>  <COMPOUND_NUMBER> (74)
WAY-311347

>  <LOCATION_CODE> (74)
PTNCS

>  <AMOUNT_CURRENT> (74)
33.9

$$$$
WAY-345340
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
   15.0042  -14.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  3  2  0  0  0  0
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 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14 16  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
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 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
  7  2  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C16H20ClF3N2O

>  <MolWeight> (75)
348.7910096

>  <PCAT_CMPD_ID> (75)
WAY-345340

>  <CNC_ID> (75)
359320612

>  <transfer_container_id> (75)
PTN000000065

>  <COMPOUND_NUMBER> (75)
WAY-345340

>  <LOCATION_CODE> (75)
PTNCS

>  <AMOUNT_CURRENT> (75)
32.5

$$$$
WAY-344031
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16 19  1  0  0  0  0
 17 11  1  0  0  0  0
 18  8  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21  4  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
  4  2  2  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C15H14Cl2N2O2S2

>  <MolWeight> (76)
389.31986

>  <PCAT_CMPD_ID> (76)
WAY-344031

>  <CNC_ID> (76)
359319368

>  <transfer_container_id> (76)
PTN000000065

>  <COMPOUND_NUMBER> (76)
WAY-344031

>  <LOCATION_CODE> (76)
PTNCS

>  <AMOUNT_CURRENT> (76)
20.96

$$$$
WAY-345051
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.6279    0.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 13 18  1  0  0  0  0
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 16 19  1  0  0  0  0
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 19 20  2  0  0  0  0
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 10  7  2  0  0  0  0
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 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C20H18FN3O

>  <MolWeight> (77)
335.3748232

>  <PCAT_CMPD_ID> (77)
WAY-345051

>  <CNC_ID> (77)
359320361

>  <transfer_container_id> (77)
PTN000000065

>  <COMPOUND_NUMBER> (77)
WAY-345051

>  <LOCATION_CODE> (77)
PTNCS

>  <AMOUNT_CURRENT> (77)
32.6

$$$$
WAY-311380
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  6 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 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
 19 22  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C19H15NO2

>  <MolWeight> (78)
289.3279

>  <PCAT_CMPD_ID> (78)
WAY-311380

>  <CNC_ID> (78)
359315121

>  <transfer_container_id> (78)
PTN000000065

>  <COMPOUND_NUMBER> (78)
WAY-311380

>  <LOCATION_CODE> (78)
PTNCS

>  <AMOUNT_CURRENT> (78)
33.1

$$$$
WAY-344531-A
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13 15  1  0  0  0  0
 14 12  1  0  0  0  0
 15 19  1  0  0  0  0
 16  5  1  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
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 20 12  1  0  0  0  0
 21 17  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
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 26 25  1  0  0  0  0
  9 14  2  0  0  0  0
 18 15  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C22H28N2O2

>  <MolWeight> (79)
352.46992

>  <PCAT_CMPD_ID> (79)
WAY-344531-A

>  <CNC_ID> (79)
359319854

>  <transfer_container_id> (79)
PTN000000065

>  <COMPOUND_NUMBER> (79)
WAY-344531-A

>  <LOCATION_CODE> (79)
PTNCS

>  <AMOUNT_CURRENT> (79)
32.7

$$$$
WAY-345289
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
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 10  5  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
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 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 11 13  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C13H14N2O4

>  <MolWeight> (80)
262.26126

>  <PCAT_CMPD_ID> (80)
WAY-345289

>  <CNC_ID> (80)
359320582

>  <transfer_container_id> (80)
PTN000000065

>  <COMPOUND_NUMBER> (80)
WAY-345289

>  <LOCATION_CODE> (80)
PTNCS

>  <AMOUNT_CURRENT> (80)
32.4

$$$$
WAY-311273
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 18 21  1  0  0  0  0
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  6  8  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C13H12F3N5O

>  <MolWeight> (81)
311.2624896

>  <PCAT_CMPD_ID> (81)
WAY-311273

>  <CNC_ID> (81)
359315014

>  <transfer_container_id> (81)
PTN000000065

>  <COMPOUND_NUMBER> (81)
WAY-311273

>  <LOCATION_CODE> (81)
PTNCS

>  <AMOUNT_CURRENT> (81)
33.6

$$$$
WAY-310923
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C17H17FN2O

>  <MolWeight> (82)
284.3280832

>  <PCAT_CMPD_ID> (82)
WAY-310923

>  <CNC_ID> (82)
359314665

>  <transfer_container_id> (82)
PTN000000065

>  <COMPOUND_NUMBER> (82)
WAY-310923

>  <LOCATION_CODE> (82)
PTNCS

>  <AMOUNT_CURRENT> (82)
33.8

$$$$
WAY-354383-A
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12 20  1  0  0  0  0
 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 15 10  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 10  2  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
  2  5  1  0  0  0  0
 21 23  1  0  0  0  0
 19 12  1  0  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C18H21FN2O2

>  <MolWeight> (83)
316.3699432

>  <PCAT_CMPD_ID> (83)
WAY-354383-A

>  <CNC_ID> (83)
359320936

>  <transfer_container_id> (83)
PTN000000065

>  <COMPOUND_NUMBER> (83)
WAY-354383-A

>  <LOCATION_CODE> (83)
PTNCS

>  <AMOUNT_CURRENT> (83)
32

$$$$
WAY-311877-A
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 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
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 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
  8 12  2  0  0  0  0
 15 19  1  0  0  0  0
 17 18  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C23H23NO2

>  <MolWeight> (84)
345.43422

>  <PCAT_CMPD_ID> (84)
WAY-311877-A

>  <CNC_ID> (84)
359315618

>  <transfer_container_id> (84)
PTN000000065

>  <COMPOUND_NUMBER> (84)
WAY-311877-A

>  <LOCATION_CODE> (84)
PTNCS

>  <AMOUNT_CURRENT> (84)
33.8

$$$$
WAY-312516
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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 22 25  2  0  0  0  0
  7  9  1  0  0  0  0
 11 14  2  0  0  0  0
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M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C18H12ClF3N2O

>  <MolWeight> (85)
364.7488896

>  <PCAT_CMPD_ID> (85)
WAY-312516

>  <CNC_ID> (85)
359316255

>  <transfer_container_id> (85)
PTN000000065

>  <COMPOUND_NUMBER> (85)
WAY-312516

>  <LOCATION_CODE> (85)
PTNCS

>  <AMOUNT_CURRENT> (85)
33.6

$$$$
WAY-345294
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  1  0  0  0  0
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 20 14  2  0  0  0  0
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 21 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 18  2  0  0  0  0
M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C20H19ClN2O

>  <MolWeight> (86)
338.83066

>  <PCAT_CMPD_ID> (86)
WAY-345294

>  <CNC_ID> (86)
359320587

>  <transfer_container_id> (86)
PTN000000065

>  <COMPOUND_NUMBER> (86)
WAY-345294

>  <LOCATION_CODE> (86)
PTNCS

>  <AMOUNT_CURRENT> (86)
32.8

$$$$
WAY-344469
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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    3.9792   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9  2  2  0  0  0  0
 10 13  1  0  0  0  0
 11  1  1  0  0  0  0
 12 10  1  0  0  0  0
 13 16  1  0  0  0  0
 14 10  2  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19  8  1  0  0  0  0
 20 22  1  0  0  0  0
 21  3  1  0  0  0  0
 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 11  1  0  0  0  0
 26 11  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 27  2  0  0  0  0
  5  4  1  0  0  0  0
 28 29  1  0  0  0  0
 15 19  2  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (87)
87

>  <Formula> (87)
C24H17FO4

>  <MolWeight> (87)
388.3877832

>  <PCAT_CMPD_ID> (87)
WAY-344469

>  <CNC_ID> (87)
359319803

>  <transfer_container_id> (87)
PTN000000065

>  <COMPOUND_NUMBER> (87)
WAY-344469

>  <LOCATION_CODE> (87)
PTNCS

>  <AMOUNT_CURRENT> (87)
32.6

$$$$
WAY-344786
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
   12.5417   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917  -10.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4167   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2667   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4667  -11.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792   -4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6 12  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 17 14  1  0  0  0  0
 18  5  1  0  0  0  0
 19  7  1  0  0  0  0
  3  4  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C13H12ClNO4

>  <MolWeight> (88)
281.69168

>  <PCAT_CMPD_ID> (88)
WAY-344786

>  <CNC_ID> (88)
359320097

>  <transfer_container_id> (88)
PTN000000065

>  <COMPOUND_NUMBER> (88)
WAY-344786

>  <LOCATION_CODE> (88)
PTNCS

>  <AMOUNT_CURRENT> (88)
32

$$$$
WAY-344774
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.2042   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042   -6.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -6.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -4.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2125   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8042   -7.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4125   -8.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  4  2  0  0  0  0
  7  9  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  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  2  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
  6  3  1  0  0  0  0
 24 20  1  0  0  0  0
 15 13  1  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C17H14ClN5O

>  <MolWeight> (89)
339.77896

>  <PCAT_CMPD_ID> (89)
WAY-344774

>  <CNC_ID> (89)
359320085

>  <transfer_container_id> (89)
PTN000000065

>  <COMPOUND_NUMBER> (89)
WAY-344774

>  <LOCATION_CODE> (89)
PTNCS

>  <AMOUNT_CURRENT> (89)
32.1

$$$$
WAY-310859
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.5618   -0.9287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515   -1.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7 11  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C22H19NO4

>  <MolWeight> (90)
361.39056

>  <PCAT_CMPD_ID> (90)
WAY-310859

>  <CNC_ID> (90)
359314601

>  <transfer_container_id> (90)
PTN000000065

>  <COMPOUND_NUMBER> (90)
WAY-310859

>  <LOCATION_CODE> (90)
PTNCS

>  <AMOUNT_CURRENT> (90)
33.9

$$$$
WAY-117839
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3692   -1.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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  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
  6 12  1  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
 11 16  2  0  0  0  0
 14 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 20 22  2  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C16H12N2O4

>  <MolWeight> (91)
296.27748

>  <PCAT_CMPD_ID> (91)
WAY-117839

>  <CNC_ID> (91)
359313731

>  <transfer_container_id> (91)
PTN000000065

>  <COMPOUND_NUMBER> (91)
WAY-117839

>  <LOCATION_CODE> (91)
PTNCS

>  <AMOUNT_CURRENT> (91)
33.7

$$$$
WAY-343861
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
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 14 19  1  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
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 18  3  1  0  0  0  0
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 20 14  1  0  0  0  0
 23 11  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C18H19FN2O4S

>  <MolWeight> (92)
378.4178632

>  <PCAT_CMPD_ID> (92)
WAY-343861

>  <CNC_ID> (92)
359319202

>  <transfer_container_id> (92)
PTN000000065

>  <COMPOUND_NUMBER> (92)
WAY-343861

>  <LOCATION_CODE> (92)
PTNCS

>  <AMOUNT_CURRENT> (92)
33

$$$$
WAY-344381
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
   10.8250   -6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7 12  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  2  0  0  0  0
 10  7  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  1  0  0  0  0
 13  3  1  0  0  0  0
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 15  4  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
  5  9  1  0  0  0  0
  6 14  2  0  0  0  0
M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C12H9F2NOS

>  <MolWeight> (93)
253.2677664

>  <PCAT_CMPD_ID> (93)
WAY-344381

>  <CNC_ID> (93)
359319716

>  <transfer_container_id> (93)
PTN000000065

>  <COMPOUND_NUMBER> (93)
WAY-344381

>  <LOCATION_CODE> (93)
PTNCS

>  <AMOUNT_CURRENT> (93)
32.7

$$$$
WAY-117322
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.9553    6.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
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 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 20  2  0  0  0  0
 24 21  2  0  0  0  0
  3  4  1  0  0  0  0
 19 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C19H21N3O2

>  <MolWeight> (94)
323.38894

>  <PCAT_CMPD_ID> (94)
WAY-117322

>  <CNC_ID> (94)
359313724

>  <transfer_container_id> (94)
PTN000000065

>  <COMPOUND_NUMBER> (94)
WAY-117322

>  <LOCATION_CODE> (94)
PTNCS

>  <AMOUNT_CURRENT> (94)
33.1

$$$$
WAY-310883
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.0379   -0.0448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 10 18  1  0  0  0  0
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 15 22  1  0  0  0  0
 17 18  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C21H28N6O

>  <MolWeight> (95)
380.48662

>  <PCAT_CMPD_ID> (95)
WAY-310883

>  <CNC_ID> (95)
359314625

>  <transfer_container_id> (95)
PTN000000065

>  <COMPOUND_NUMBER> (95)
WAY-310883

>  <LOCATION_CODE> (95)
PTNCS

>  <AMOUNT_CURRENT> (95)
33.5

$$$$
WAY-311873
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C13H16N4O4S

>  <MolWeight> (96)
324.35554

>  <PCAT_CMPD_ID> (96)
WAY-311873

>  <CNC_ID> (96)
359315614

>  <transfer_container_id> (96)
PTN000000065

>  <COMPOUND_NUMBER> (96)
WAY-311873

>  <LOCATION_CODE> (96)
PTNCS

>  <AMOUNT_CURRENT> (96)
33.2

$$$$
WAY-342673
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C12H8F3N5O

>  <MolWeight> (97)
295.2200296

>  <PCAT_CMPD_ID> (97)
WAY-342673

>  <CNC_ID> (97)
359318928

>  <transfer_container_id> (97)
PTN000000065

>  <COMPOUND_NUMBER> (97)
WAY-342673

>  <LOCATION_CODE> (97)
PTNCS

>  <AMOUNT_CURRENT> (97)
32.5

$$$$
WAY-226570
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C14H10F3N3

>  <MolWeight> (98)
277.2445096

>  <PCAT_CMPD_ID> (98)
WAY-226570

>  <CNC_ID> (98)
359313860

>  <transfer_container_id> (98)
PTN000000065

>  <COMPOUND_NUMBER> (98)
WAY-226570

>  <LOCATION_CODE> (98)
PTNCS

>  <AMOUNT_CURRENT> (98)
33.3

$$$$
WAY-343597
csChFnd80/10101909502D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
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 13  6  2  0  0  0  0
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 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C21H15FN4O3S

>  <MolWeight> (99)
422.4322032

>  <PCAT_CMPD_ID> (99)
WAY-343597

>  <CNC_ID> (99)
359319007

>  <transfer_container_id> (99)
PTN000000065

>  <COMPOUND_NUMBER> (99)
WAY-343597

>  <LOCATION_CODE> (99)
PTNCS

>  <AMOUNT_CURRENT> (99)
32.2

$$$$
WAY-238638
csChFnd80/10101909502D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (100)
100

>  <Formula> (100)
C21H17N5O2S

>  <MolWeight> (100)
403.45698

>  <PCAT_CMPD_ID> (100)
WAY-238638

>  <CNC_ID> (100)
359326909

>  <transfer_container_id> (100)
PTN000000067

>  <COMPOUND_NUMBER> (100)
WAY-238638

>  <LOCATION_CODE> (100)
PTNCS

>  <AMOUNT_CURRENT> (100)
33.9

$$$$
GI-568122
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (101)
101

>  <Formula> (101)
C15H13N5

>  <MolWeight> (101)
263.29722

>  <PCAT_CMPD_ID> (101)
GI-568122

>  <CNC_ID> (101)
359313662

>  <transfer_container_id> (101)
PTN000000065

>  <COMPOUND_NUMBER> (101)
GI-568122

>  <LOCATION_CODE> (101)
PTNCS

>  <AMOUNT_CURRENT> (101)
32.5

$$$$
WAY-310473
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  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 10  1  0  0  0  0
 19 13  1  0  0  0  0
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 23 18  2  0  0  0  0
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 20 22  1  0  0  0  0
  8 10  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C19H21N5

>  <MolWeight> (102)
319.40354

>  <PCAT_CMPD_ID> (102)
WAY-310473

>  <CNC_ID> (102)
359314214

>  <transfer_container_id> (102)
PTN000000065

>  <COMPOUND_NUMBER> (102)
WAY-310473

>  <LOCATION_CODE> (102)
PTNCS

>  <AMOUNT_CURRENT> (102)
33.7

$$$$
WAY-225926
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.3176    2.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1726    4.3337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0509    2.3740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  2  0  0  0  0
 21 14  2  0  0  0  0
 22 15  2  0  0  0  0
 23 22  1  0  0  0  0
  5  6  2  0  0  0  0
 20 21  1  0  0  0  0
 17  9  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (103)
103

>  <Formula> (103)
C20H18N2O

>  <MolWeight> (103)
302.36972

>  <PCAT_CMPD_ID> (103)
WAY-225926

>  <CNC_ID> (103)
359313856

>  <transfer_container_id> (103)
PTN000000065

>  <COMPOUND_NUMBER> (103)
WAY-225926

>  <LOCATION_CODE> (103)
PTNCS

>  <AMOUNT_CURRENT> (103)
33.5

$$$$
WAY-310686
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.2671    0.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2671   -0.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 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
 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
  1 23  1  0  0  0  0
M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C18H17ClN4

>  <MolWeight> (104)
324.80738

>  <PCAT_CMPD_ID> (104)
WAY-310686

>  <CNC_ID> (104)
359314427

>  <transfer_container_id> (104)
PTN000000065

>  <COMPOUND_NUMBER> (104)
WAY-310686

>  <LOCATION_CODE> (104)
PTNCS

>  <AMOUNT_CURRENT> (104)
33

$$$$
WAY-344626
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.6625  -14.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6250   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6667  -12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000  -14.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
 11 16  1  0  0  0  0
 12  2  1  0  0  0  0
 13  5  2  0  0  0  0
 14  8  2  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17  1  2  0  0  0  0
 18  2  2  0  0  0  0
 19  4  2  0  0  0  0
 20 12  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  2  0  0  0  0
 19 23  1  0  0  0  0
 12  9  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (105)
105

>  <Formula> (105)
C17H14N4O3

>  <MolWeight> (105)
322.31806

>  <PCAT_CMPD_ID> (105)
WAY-344626

>  <CNC_ID> (105)
359319943

>  <transfer_container_id> (105)
PTN000000065

>  <COMPOUND_NUMBER> (105)
WAY-344626

>  <LOCATION_CODE> (105)
PTNCS

>  <AMOUNT_CURRENT> (105)
32.3

$$$$
WAY-310681
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -2.4306    1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 16 18  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C15H15N3

>  <MolWeight> (106)
237.2997

>  <PCAT_CMPD_ID> (106)
WAY-310681

>  <CNC_ID> (106)
359314422

>  <transfer_container_id> (106)
PTN000000065

>  <COMPOUND_NUMBER> (106)
WAY-310681

>  <LOCATION_CODE> (106)
PTNCS

>  <AMOUNT_CURRENT> (106)
33.6

$$$$
WAY-311134
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.3588   -0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C13H10N4

>  <MolWeight> (107)
222.2453

>  <PCAT_CMPD_ID> (107)
WAY-311134

>  <CNC_ID> (107)
359314875

>  <transfer_container_id> (107)
PTN000000065

>  <COMPOUND_NUMBER> (107)
WAY-311134

>  <LOCATION_CODE> (107)
PTNCS

>  <AMOUNT_CURRENT> (107)
33

$$$$
WAY-344199
csChFnd80/10101909502D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
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 13 10  1  0  0  0  0
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 15  5  2  0  0  0  0
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 20  8  1  0  0  0  0
 21 18  2  0  0  0  0
 22  9  1  0  0  0  0
 23 28  1  0  0  0  0
 24 14  2  0  0  0  0
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 28 20  1  0  0  0  0
 29 23  1  0  0  0  0
 30 25  1  0  0  0  0
 31 24  1  0  0  0  0
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 14 13  1  0  0  0  0
 19 21  1  0  0  0  0
 31 30  2  0  0  0  0
M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C24H23N5O2

>  <MolWeight> (108)
413.47172

>  <PCAT_CMPD_ID> (108)
WAY-344199

>  <CNC_ID> (108)
359319534

>  <transfer_container_id> (108)
PTN000000065

>  <COMPOUND_NUMBER> (108)
WAY-344199

>  <LOCATION_CODE> (108)
PTNCS

>  <AMOUNT_CURRENT> (108)
32.7

$$$$
WAY-310870-A
csChFnd80/10101909502D

 28 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
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 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
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 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
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 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
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 27 28  1  0  0  0  0
  5  9  2  0  0  0  0
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 14 18  1  0  0  0  0
 20 23  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C22H24BrN5

>  <MolWeight> (109)
438.36346

>  <PCAT_CMPD_ID> (109)
WAY-310870-A

>  <CNC_ID> (109)
359314612

>  <transfer_container_id> (109)
PTN000000065

>  <COMPOUND_NUMBER> (109)
WAY-310870-A

>  <LOCATION_CODE> (109)
PTNCS

>  <AMOUNT_CURRENT> (109)
33.4

$$$$
WAY-224824
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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   10.5392    1.2540    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  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
  6  3  2  0  0  0  0
  9 13  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C17H17N3O

>  <MolWeight> (110)
279.33638

>  <PCAT_CMPD_ID> (110)
WAY-224824

>  <CNC_ID> (110)
359313848

>  <transfer_container_id> (110)
PTN000000065

>  <COMPOUND_NUMBER> (110)
WAY-224824

>  <LOCATION_CODE> (110)
PTNCS

>  <AMOUNT_CURRENT> (110)
33.3

$$$$
WAY-345505
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.5000   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  5  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 15  1  0  0  0  0
 12  9  1  0  0  0  0
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 14  3  2  0  0  0  0
 15 13  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19  6  1  0  0  0  0
 20  8  1  0  0  0  0
 21 11  2  0  0  0  0
 22 15  2  0  0  0  0
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 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
  6  8  2  0  0  0  0
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 24 23  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C19H15F3N2OS

>  <MolWeight> (111)
376.3954096

>  <PCAT_CMPD_ID> (111)
WAY-345505

>  <CNC_ID> (111)
359320774

>  <transfer_container_id> (111)
PTN000000065

>  <COMPOUND_NUMBER> (111)
WAY-345505

>  <LOCATION_CODE> (111)
PTNCS

>  <AMOUNT_CURRENT> (111)
32.9

$$$$
WAY-312505
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 21 22  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C14H14FN7

>  <MolWeight> (112)
299.3062632

>  <PCAT_CMPD_ID> (112)
WAY-312505

>  <CNC_ID> (112)
359316245

>  <transfer_container_id> (112)
PTN000000065

>  <COMPOUND_NUMBER> (112)
WAY-312505

>  <LOCATION_CODE> (112)
PTNCS

>  <AMOUNT_CURRENT> (112)
33.1

$$$$
WAY-310459
csChFnd80/10101909502D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C18H16N4OS

>  <MolWeight> (113)
336.41084

>  <PCAT_CMPD_ID> (113)
WAY-310459

>  <CNC_ID> (113)
359314200

>  <transfer_container_id> (113)
PTN000000065

>  <COMPOUND_NUMBER> (113)
WAY-310459

>  <LOCATION_CODE> (113)
PTNCS

>  <AMOUNT_CURRENT> (113)
33

$$$$
WAY-342680
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  2  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  0  0  0  0
 19  5  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
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  6 12  2  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C17H15FN2O2S

>  <MolWeight> (114)
330.3766032

>  <PCAT_CMPD_ID> (114)
WAY-342680

>  <CNC_ID> (114)
359318935

>  <transfer_container_id> (114)
PTN000000065

>  <COMPOUND_NUMBER> (114)
WAY-342680

>  <LOCATION_CODE> (114)
PTNCS

>  <AMOUNT_CURRENT> (114)
32.9

$$$$
WAY-311876
csChFnd80/10101909502D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C18H20N4O2S

>  <MolWeight> (115)
356.442

>  <PCAT_CMPD_ID> (115)
WAY-311876

>  <CNC_ID> (115)
359315617

>  <transfer_container_id> (115)
PTN000000065

>  <COMPOUND_NUMBER> (115)
WAY-311876

>  <LOCATION_CODE> (115)
PTNCS

>  <AMOUNT_CURRENT> (115)
33.5

$$$$
WAY-311875
csChFnd80/10101909502D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C20H24N4O3S

>  <MolWeight> (116)
400.49456

>  <PCAT_CMPD_ID> (116)
WAY-311875

>  <CNC_ID> (116)
359315616

>  <transfer_container_id> (116)
PTN000000065

>  <COMPOUND_NUMBER> (116)
WAY-311875

>  <LOCATION_CODE> (116)
PTNCS

>  <AMOUNT_CURRENT> (116)
33.5

$$$$
WAY-311377-A
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C14H21NO

>  <MolWeight> (117)
219.32264

>  <PCAT_CMPD_ID> (117)
WAY-311377-A

>  <CNC_ID> (117)
359315118

>  <transfer_container_id> (117)
PTN000000065

>  <COMPOUND_NUMBER> (117)
WAY-311377-A

>  <LOCATION_CODE> (117)
PTNCS

>  <AMOUNT_CURRENT> (117)
33.7

$$$$
WAY-344663
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
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 17 13  2  0  0  0  0
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 21 19  1  0  0  0  0
  8  6  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C16H17NO3S

>  <MolWeight> (118)
303.37608

>  <PCAT_CMPD_ID> (118)
WAY-344663

>  <CNC_ID> (118)
359319977

>  <transfer_container_id> (118)
PTN000000065

>  <COMPOUND_NUMBER> (118)
WAY-344663

>  <LOCATION_CODE> (118)
PTNCS

>  <AMOUNT_CURRENT> (118)
32.9

$$$$
WAY-310965
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  6 10  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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  5  9  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C13H16N2O

>  <MolWeight> (119)
216.27894

>  <PCAT_CMPD_ID> (119)
WAY-310965

>  <CNC_ID> (119)
359314707

>  <transfer_container_id> (119)
PTN000000065

>  <COMPOUND_NUMBER> (119)
WAY-310965

>  <LOCATION_CODE> (119)
PTNCS

>  <AMOUNT_CURRENT> (119)
33.5

$$$$
WAY-311233
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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  4  7  2  0  0  0  0
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  6 10  1  0  0  0  0
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 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
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
  7  8  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C12H13ClN6

>  <MolWeight> (120)
276.72482

>  <PCAT_CMPD_ID> (120)
WAY-311233

>  <CNC_ID> (120)
359314974

>  <transfer_container_id> (120)
PTN000000065

>  <COMPOUND_NUMBER> (120)
WAY-311233

>  <LOCATION_CODE> (120)
PTNCS

>  <AMOUNT_CURRENT> (120)
33.2

$$$$
WAY-345610
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.9167   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3 11  2  0  0  0  0
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  7 17  1  0  0  0  0
  8  6  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
 16  5  2  0  0  0  0
 17 10  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  8  2  0  0  0  0
 22 11  1  0  0  0  0
 23 14  2  0  0  0  0
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 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
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 20 16  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C20H17ClN2O3

>  <MolWeight> (121)
368.81358

>  <PCAT_CMPD_ID> (121)
WAY-345610

>  <CNC_ID> (121)
359320867

>  <transfer_container_id> (121)
PTN000000065

>  <COMPOUND_NUMBER> (121)
WAY-345610

>  <LOCATION_CODE> (121)
PTNCS

>  <AMOUNT_CURRENT> (121)
32.8

$$$$
WAY-313030
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 18 24  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C11H12F6N4O3

>  <MolWeight> (122)
362.2283992

>  <PCAT_CMPD_ID> (122)
WAY-313030

>  <CNC_ID> (122)
359328067

>  <transfer_container_id> (122)
PTN000000067

>  <COMPOUND_NUMBER> (122)
WAY-313030

>  <LOCATION_CODE> (122)
PTNCS

>  <AMOUNT_CURRENT> (122)
33.3

$$$$
WAY-340007
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 12 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
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C13H13BrN2OS

>  <MolWeight> (123)
325.22412

>  <PCAT_CMPD_ID> (123)
WAY-340007

>  <CNC_ID> (123)
359318859

>  <transfer_container_id> (123)
PTN000000065

>  <COMPOUND_NUMBER> (123)
WAY-340007

>  <LOCATION_CODE> (123)
PTNCS

>  <AMOUNT_CURRENT> (123)
32.8

$$$$
WAY-310652
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 10 14  1  0  0  0  0
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 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C18H22N2O2S2

>  <MolWeight> (124)
362.50948

>  <PCAT_CMPD_ID> (124)
WAY-310652

>  <CNC_ID> (124)
359314393

>  <transfer_container_id> (124)
PTN000000065

>  <COMPOUND_NUMBER> (124)
WAY-310652

>  <LOCATION_CODE> (124)
PTNCS

>  <AMOUNT_CURRENT> (124)
33

$$$$
WAY-243654
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.2787    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8787   -0.6931    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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 10 13  1  0  0  0  0
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  8 10  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C9H7N5O3

>  <MolWeight> (125)
233.18358

>  <PCAT_CMPD_ID> (125)
WAY-243654

>  <CNC_ID> (125)
359340371

>  <transfer_container_id> (125)
PTN000000068

>  <COMPOUND_NUMBER> (125)
WAY-243654

>  <LOCATION_CODE> (125)
PTNCS

>  <AMOUNT_CURRENT> (125)
33

$$$$
WAY-296804
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.1069    0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  2  0  0  0  0
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  6  8  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C16H19N3OS

>  <MolWeight> (126)
301.40656

>  <PCAT_CMPD_ID> (126)
WAY-296804

>  <CNC_ID> (126)
359343248

>  <transfer_container_id> (126)
PTN000000068

>  <COMPOUND_NUMBER> (126)
WAY-296804

>  <LOCATION_CODE> (126)
PTNCS

>  <AMOUNT_CURRENT> (126)
33.2

$$$$
WAY-296828
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 14 16  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C14H12ClN5O2

>  <MolWeight> (127)
317.73038

>  <PCAT_CMPD_ID> (127)
WAY-296828

>  <CNC_ID> (127)
359343272

>  <transfer_container_id> (127)
PTN000000068

>  <COMPOUND_NUMBER> (127)
WAY-296828

>  <LOCATION_CODE> (127)
PTNCS

>  <AMOUNT_CURRENT> (127)
33.3

$$$$
CL-259275
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C11H9NO

>  <MolWeight> (128)
171.19526

>  <PCAT_CMPD_ID> (128)
CL-259275

>  <CNC_ID> (128)
359353710

>  <transfer_container_id> (128)
PTN000000069

>  <COMPOUND_NUMBER> (128)
CL-259275

>  <LOCATION_CODE> (128)
PTNCS

>  <AMOUNT_CURRENT> (128)
33.2

$$$$
CL-408961
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C14H12N2O3S

>  <MolWeight> (129)
288.32168

>  <PCAT_CMPD_ID> (129)
CL-408961

>  <CNC_ID> (129)
359353759

>  <transfer_container_id> (129)
PTN000000069

>  <COMPOUND_NUMBER> (129)
CL-408961

>  <LOCATION_CODE> (129)
PTNCS

>  <AMOUNT_CURRENT> (129)
33.4

$$$$
CL-416508
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C22H26N2O4S

>  <MolWeight> (130)
414.51784

>  <PCAT_CMPD_ID> (130)
CL-416508

>  <CNC_ID> (130)
359353779

>  <transfer_container_id> (130)
PTN000000069

>  <COMPOUND_NUMBER> (130)
CL-416508

>  <LOCATION_CODE> (130)
PTNCS

>  <AMOUNT_CURRENT> (130)
33.3

$$$$
WAY-227148
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 14 17  1  0  0  0  0
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M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C16H13N3O

>  <MolWeight> (131)
263.29392

>  <PCAT_CMPD_ID> (131)
WAY-227148

>  <CNC_ID> (131)
359354068

>  <transfer_container_id> (131)
PTN000000069

>  <COMPOUND_NUMBER> (131)
WAY-227148

>  <LOCATION_CODE> (131)
PTNCS

>  <AMOUNT_CURRENT> (131)
33.4

$$$$
WAY-238355-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C14H21NO2

>  <MolWeight> (132)
235.32204

>  <PCAT_CMPD_ID> (132)
WAY-238355-A

>  <CNC_ID> (132)
359354174

>  <transfer_container_id> (132)
PTN000000069

>  <COMPOUND_NUMBER> (132)
WAY-238355-A

>  <LOCATION_CODE> (132)
PTNCS

>  <AMOUNT_CURRENT> (132)
33.5

$$$$
WAY-240108
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C17H15NO3S

>  <MolWeight> (133)
313.3709

>  <PCAT_CMPD_ID> (133)
WAY-240108

>  <CNC_ID> (133)
359354206

>  <transfer_container_id> (133)
PTN000000069

>  <COMPOUND_NUMBER> (133)
WAY-240108

>  <LOCATION_CODE> (133)
PTNCS

>  <AMOUNT_CURRENT> (133)
33.2

$$$$
WAY-298222
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C18H20N2O3

>  <MolWeight> (134)
312.363

>  <PCAT_CMPD_ID> (134)
WAY-298222

>  <CNC_ID> (134)
359357216

>  <transfer_container_id> (134)
PTN000000069

>  <COMPOUND_NUMBER> (134)
WAY-298222

>  <LOCATION_CODE> (134)
PTNCS

>  <AMOUNT_CURRENT> (134)
33.3

$$$$
WAY-298285
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C24H24N4O2

>  <MolWeight> (135)
400.47296

>  <PCAT_CMPD_ID> (135)
WAY-298285

>  <CNC_ID> (135)
359357279

>  <transfer_container_id> (135)
PTN000000069

>  <COMPOUND_NUMBER> (135)
WAY-298285

>  <LOCATION_CODE> (135)
PTNCS

>  <AMOUNT_CURRENT> (135)
33.3

$$$$
WAY-298329
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 16  8  2  0  0  0  0
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M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C15H9ClN2O2

>  <MolWeight> (136)
284.69716

>  <PCAT_CMPD_ID> (136)
WAY-298329

>  <CNC_ID> (136)
359357323

>  <transfer_container_id> (136)
PTN000000069

>  <COMPOUND_NUMBER> (136)
WAY-298329

>  <LOCATION_CODE> (136)
PTNCS

>  <AMOUNT_CURRENT> (136)
33.3

$$$$
WAY-298580
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
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 15  8  1  0  0  0  0
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 22 17  2  0  0  0  0
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M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
C15H9NO4S2

>  <MolWeight> (137)
331.36626

>  <PCAT_CMPD_ID> (137)
WAY-298580

>  <CNC_ID> (137)
359357574

>  <transfer_container_id> (137)
PTN000000069

>  <COMPOUND_NUMBER> (137)
WAY-298580

>  <LOCATION_CODE> (137)
PTNCS

>  <AMOUNT_CURRENT> (137)
33.3

$$$$
WAY-298608-A
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 14  4  1  0  0  0  0
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M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C16H18IN3O2

>  <MolWeight> (138)
411.23749

>  <PCAT_CMPD_ID> (138)
WAY-298608-A

>  <CNC_ID> (138)
359357602

>  <transfer_container_id> (138)
PTN000000069

>  <COMPOUND_NUMBER> (138)
WAY-298608-A

>  <LOCATION_CODE> (138)
PTNCS

>  <AMOUNT_CURRENT> (138)
33.4

$$$$
WAY-298795
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C12H9N3O3S

>  <MolWeight> (139)
275.28316

>  <PCAT_CMPD_ID> (139)
WAY-298795

>  <CNC_ID> (139)
359357789

>  <transfer_container_id> (139)
PTN000000069

>  <COMPOUND_NUMBER> (139)
WAY-298795

>  <LOCATION_CODE> (139)
PTNCS

>  <AMOUNT_CURRENT> (139)
33.1

$$$$
WAY-298998
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 15 19  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C22H19NO2

>  <MolWeight> (140)
329.39176

>  <PCAT_CMPD_ID> (140)
WAY-298998

>  <CNC_ID> (140)
359357992

>  <transfer_container_id> (140)
PTN000000069

>  <COMPOUND_NUMBER> (140)
WAY-298998

>  <LOCATION_CODE> (140)
PTNCS

>  <AMOUNT_CURRENT> (140)
33.2

$$$$
WAY-299235
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.3241   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  2  0  0  0  0
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 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
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 17 18  1  0  0  0  0
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  7  8  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C15H13NO2S

>  <MolWeight> (141)
271.33422

>  <PCAT_CMPD_ID> (141)
WAY-299235

>  <CNC_ID> (141)
359358229

>  <transfer_container_id> (141)
PTN000000069

>  <COMPOUND_NUMBER> (141)
WAY-299235

>  <LOCATION_CODE> (141)
PTNCS

>  <AMOUNT_CURRENT> (141)
33.5

$$$$
WAY-299241
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2069   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  7 13  2  0  0  0  0
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 10 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C16H16N2OS2

>  <MolWeight> (142)
316.44104

>  <PCAT_CMPD_ID> (142)
WAY-299241

>  <CNC_ID> (142)
359358235

>  <transfer_container_id> (142)
PTN000000069

>  <COMPOUND_NUMBER> (142)
WAY-299241

>  <LOCATION_CODE> (142)
PTNCS

>  <AMOUNT_CURRENT> (142)
33.2

$$$$
WAY-299261
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 10  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C18H22N2O3S

>  <MolWeight> (143)
346.44388

>  <PCAT_CMPD_ID> (143)
WAY-299261

>  <CNC_ID> (143)
359358255

>  <transfer_container_id> (143)
PTN000000069

>  <COMPOUND_NUMBER> (143)
WAY-299261

>  <LOCATION_CODE> (143)
PTNCS

>  <AMOUNT_CURRENT> (143)
33.3

$$$$
WAY-299422
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C17H12N2O5S

>  <MolWeight> (144)
356.35258

>  <PCAT_CMPD_ID> (144)
WAY-299422

>  <CNC_ID> (144)
359358416

>  <transfer_container_id> (144)
PTN000000069

>  <COMPOUND_NUMBER> (144)
WAY-299422

>  <LOCATION_CODE> (144)
PTNCS

>  <AMOUNT_CURRENT> (144)
33.1

$$$$
WAY-299437
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 17  8  1  0  0  0  0
M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C15H10N4O4S

>  <MolWeight> (145)
342.3293

>  <PCAT_CMPD_ID> (145)
WAY-299437

>  <CNC_ID> (145)
359358431

>  <transfer_container_id> (145)
PTN000000069

>  <COMPOUND_NUMBER> (145)
WAY-299437

>  <LOCATION_CODE> (145)
PTNCS

>  <AMOUNT_CURRENT> (145)
33.3

$$$$
WAY-299485
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C14H15N3O3S

>  <MolWeight> (146)
305.3522

>  <PCAT_CMPD_ID> (146)
WAY-299485

>  <CNC_ID> (146)
359358479

>  <transfer_container_id> (146)
PTN000000069

>  <COMPOUND_NUMBER> (146)
WAY-299485

>  <LOCATION_CODE> (146)
PTNCS

>  <AMOUNT_CURRENT> (146)
33.4

$$$$
WAY-299501
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.4170    0.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C15H16O4

>  <MolWeight> (147)
260.28514

>  <PCAT_CMPD_ID> (147)
WAY-299501

>  <CNC_ID> (147)
359358495

>  <transfer_container_id> (147)
PTN000000069

>  <COMPOUND_NUMBER> (147)
WAY-299501

>  <LOCATION_CODE> (147)
PTNCS

>  <AMOUNT_CURRENT> (147)
33.1

$$$$
WAY-382638-A
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -1.8134    0.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 11 10  2  0  0  0  0
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M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C13H9N3S3

>  <MolWeight> (148)
303.42566

>  <PCAT_CMPD_ID> (148)
WAY-382638-A

>  <CNC_ID> (148)
359360799

>  <transfer_container_id> (148)
PTN000000069

>  <COMPOUND_NUMBER> (148)
WAY-382638-A

>  <LOCATION_CODE> (148)
PTNCS

>  <AMOUNT_CURRENT> (148)
32.5

$$$$
WAY-382646
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
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 14  4  1  0  0  0  0
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 18  8  1  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C15H21NO2

>  <MolWeight> (149)
247.33274

>  <PCAT_CMPD_ID> (149)
WAY-382646

>  <CNC_ID> (149)
359360807

>  <transfer_container_id> (149)
PTN000000069

>  <COMPOUND_NUMBER> (149)
WAY-382646

>  <LOCATION_CODE> (149)
PTNCS

>  <AMOUNT_CURRENT> (149)
32.3

$$$$
WAY-382721
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C21H15ClN4O

>  <MolWeight> (150)
374.823

>  <PCAT_CMPD_ID> (150)
WAY-382721

>  <CNC_ID> (150)
359360880

>  <transfer_container_id> (150)
PTN000000069

>  <COMPOUND_NUMBER> (150)
WAY-382721

>  <LOCATION_CODE> (150)
PTNCS

>  <AMOUNT_CURRENT> (150)
32.1

$$$$
CL-335157
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C15H20N2

>  <MolWeight> (151)
228.3327

>  <PCAT_CMPD_ID> (151)
CL-335157

>  <CNC_ID> (151)
359367395

>  <transfer_container_id> (151)
PTN000000070

>  <COMPOUND_NUMBER> (151)
CL-335157

>  <LOCATION_CODE> (151)
PTNCS

>  <AMOUNT_CURRENT> (151)
33.3

$$$$
CL-381982
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (152)
152

>  <Formula> (152)
C15H14O4

>  <MolWeight> (152)
258.26926

>  <PCAT_CMPD_ID> (152)
CL-381982

>  <CNC_ID> (152)
359367403

>  <transfer_container_id> (152)
PTN000000070

>  <COMPOUND_NUMBER> (152)
CL-381982

>  <LOCATION_CODE> (152)
PTNCS

>  <AMOUNT_CURRENT> (152)
33.3

$$$$
GI-566986
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (153)
153

>  <Formula> (153)
C16H20O3

>  <MolWeight> (153)
260.3282

>  <PCAT_CMPD_ID> (153)
GI-566986

>  <CNC_ID> (153)
359367535

>  <transfer_container_id> (153)
PTN000000070

>  <COMPOUND_NUMBER> (153)
GI-566986

>  <LOCATION_CODE> (153)
PTNCS

>  <AMOUNT_CURRENT> (153)
33.3

$$$$
WAY-113206
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.3416    0.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C15H17NO4S

>  <MolWeight> (154)
307.36478

>  <PCAT_CMPD_ID> (154)
WAY-113206

>  <CNC_ID> (154)
359367572

>  <transfer_container_id> (154)
PTN000000070

>  <COMPOUND_NUMBER> (154)
WAY-113206

>  <LOCATION_CODE> (154)
PTNCS

>  <AMOUNT_CURRENT> (154)
33.2

$$$$
WAY-114951
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6480    4.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
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 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
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 16  7  1  0  0  0  0
 17  4  1  0  0  0  0
 18 13  1  0  0  0  0
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 21 20  1  0  0  0  0
 11  3  2  0  0  0  0
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 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (155)
155

>  <Formula> (155)
C17H21NO3

>  <MolWeight> (155)
287.35354

>  <PCAT_CMPD_ID> (155)
WAY-114951

>  <CNC_ID> (155)
359367591

>  <transfer_container_id> (155)
PTN000000070

>  <COMPOUND_NUMBER> (155)
WAY-114951

>  <LOCATION_CODE> (155)
PTNCS

>  <AMOUNT_CURRENT> (155)
33.3

$$$$
WAY-218645-A
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C15H13ClN2O3

>  <MolWeight> (156)
304.72832

>  <PCAT_CMPD_ID> (156)
WAY-218645-A

>  <CNC_ID> (156)
359367712

>  <transfer_container_id> (156)
PTN000000070

>  <COMPOUND_NUMBER> (156)
WAY-218645-A

>  <LOCATION_CODE> (156)
PTNCS

>  <AMOUNT_CURRENT> (156)
33.4

$$$$
WAY-228664
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C21H16FNO2

>  <MolWeight> (157)
333.3556432

>  <PCAT_CMPD_ID> (157)
WAY-228664

>  <CNC_ID> (157)
359367761

>  <transfer_container_id> (157)
PTN000000070

>  <COMPOUND_NUMBER> (157)
WAY-228664

>  <LOCATION_CODE> (157)
PTNCS

>  <AMOUNT_CURRENT> (157)
33

$$$$
WAY-231748
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
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M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C13H12O4

>  <MolWeight> (158)
232.23198

>  <PCAT_CMPD_ID> (158)
WAY-231748

>  <CNC_ID> (158)
359367790

>  <transfer_container_id> (158)
PTN000000070

>  <COMPOUND_NUMBER> (158)
WAY-231748

>  <LOCATION_CODE> (158)
PTNCS

>  <AMOUNT_CURRENT> (158)
33.4

$$$$
WAY-251148
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C11H13N3S

>  <MolWeight> (159)
219.30602

>  <PCAT_CMPD_ID> (159)
WAY-251148

>  <CNC_ID> (159)
359367966

>  <transfer_container_id> (159)
PTN000000070

>  <COMPOUND_NUMBER> (159)
WAY-251148

>  <LOCATION_CODE> (159)
PTNCS

>  <AMOUNT_CURRENT> (159)
33.3

$$$$
WAY-300125
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C16H17NOS

>  <MolWeight> (160)
271.37728

>  <PCAT_CMPD_ID> (160)
WAY-300125

>  <CNC_ID> (160)
359370795

>  <transfer_container_id> (160)
PTN000000070

>  <COMPOUND_NUMBER> (160)
WAY-300125

>  <LOCATION_CODE> (160)
PTNCS

>  <AMOUNT_CURRENT> (160)
33.2

$$$$
WAY-300220
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11 14  2  0  0  0  0
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 10 12  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C17H16N2O5

>  <MolWeight> (161)
328.31934

>  <PCAT_CMPD_ID> (161)
WAY-300220

>  <CNC_ID> (161)
359370873

>  <transfer_container_id> (161)
PTN000000070

>  <COMPOUND_NUMBER> (161)
WAY-300220

>  <LOCATION_CODE> (161)
PTNCS

>  <AMOUNT_CURRENT> (161)
33.5

$$$$
WAY-299807-A
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C17H25NO4

>  <MolWeight> (162)
307.3847

>  <PCAT_CMPD_ID> (162)
WAY-299807-A

>  <CNC_ID> (162)
359370484

>  <transfer_container_id> (162)
PTN000000070

>  <COMPOUND_NUMBER> (162)
WAY-299807-A

>  <LOCATION_CODE> (162)
PTNCS

>  <AMOUNT_CURRENT> (162)
33

$$$$
WAY-299865
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C15H14N2OS2

>  <MolWeight> (163)
302.41446

>  <PCAT_CMPD_ID> (163)
WAY-299865

>  <CNC_ID> (163)
359370543

>  <transfer_container_id> (163)
PTN000000070

>  <COMPOUND_NUMBER> (163)
WAY-299865

>  <LOCATION_CODE> (163)
PTNCS

>  <AMOUNT_CURRENT> (163)
33.3

$$$$
WAY-299985-A
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C14H21NO3

>  <MolWeight> (164)
251.32144

>  <PCAT_CMPD_ID> (164)
WAY-299985-A

>  <CNC_ID> (164)
359370663

>  <transfer_container_id> (164)
PTN000000070

>  <COMPOUND_NUMBER> (164)
WAY-299985-A

>  <LOCATION_CODE> (164)
PTNCS

>  <AMOUNT_CURRENT> (164)
33.5

$$$$
WAY-300580
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C15H12O3

>  <MolWeight> (165)
240.25398

>  <PCAT_CMPD_ID> (165)
WAY-300580

>  <CNC_ID> (165)
359371223

>  <transfer_container_id> (165)
PTN000000070

>  <COMPOUND_NUMBER> (165)
WAY-300580

>  <LOCATION_CODE> (165)
PTNCS

>  <AMOUNT_CURRENT> (165)
33.4

$$$$
WAY-301135
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C17H17NO3S

>  <MolWeight> (166)
315.38678

>  <PCAT_CMPD_ID> (166)
WAY-301135

>  <CNC_ID> (166)
359371474

>  <transfer_container_id> (166)
PTN000000070

>  <COMPOUND_NUMBER> (166)
WAY-301135

>  <LOCATION_CODE> (166)
PTNCS

>  <AMOUNT_CURRENT> (166)
33.3

$$$$
WAY-301171
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C16H18N2O7

>  <MolWeight> (167)
350.32332

>  <PCAT_CMPD_ID> (167)
WAY-301171

>  <CNC_ID> (167)
359371510

>  <transfer_container_id> (167)
PTN000000070

>  <COMPOUND_NUMBER> (167)
WAY-301171

>  <LOCATION_CODE> (167)
PTNCS

>  <AMOUNT_CURRENT> (167)
33

$$$$
WAY-301197
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
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  8  9  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C13H17N3O3

>  <MolWeight> (168)
263.29238

>  <PCAT_CMPD_ID> (168)
WAY-301197

>  <CNC_ID> (168)
359371536

>  <transfer_container_id> (168)
PTN000000070

>  <COMPOUND_NUMBER> (168)
WAY-301197

>  <LOCATION_CODE> (168)
PTNCS

>  <AMOUNT_CURRENT> (168)
33.5

$$$$
WAY-301202
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.7069    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 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
  5  9  2  0  0  0  0
  7 11  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C17H14N2OS2

>  <MolWeight> (169)
326.43586

>  <PCAT_CMPD_ID> (169)
WAY-301202

>  <CNC_ID> (169)
359371541

>  <transfer_container_id> (169)
PTN000000070

>  <COMPOUND_NUMBER> (169)
WAY-301202

>  <LOCATION_CODE> (169)
PTNCS

>  <AMOUNT_CURRENT> (169)
33.5

$$$$
WAY-301223
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.9034   -0.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  6 10  1  0  0  0  0
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 12 15  1  0  0  0  0
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 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C20H22F3N3O2S

>  <MolWeight> (170)
425.4677896

>  <PCAT_CMPD_ID> (170)
WAY-301223

>  <CNC_ID> (170)
359371562

>  <transfer_container_id> (170)
PTN000000070

>  <COMPOUND_NUMBER> (170)
WAY-301223

>  <LOCATION_CODE> (170)
PTNCS

>  <AMOUNT_CURRENT> (170)
33.3

$$$$
WAY-301285
csChFnd80/10101909502D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 18 21  2  0  0  0  0
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 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C24H18ClN3O5S

>  <MolWeight> (171)
495.93482

>  <PCAT_CMPD_ID> (171)
WAY-301285

>  <CNC_ID> (171)
359371624

>  <transfer_container_id> (171)
PTN000000070

>  <COMPOUND_NUMBER> (171)
WAY-301285

>  <LOCATION_CODE> (171)
PTNCS

>  <AMOUNT_CURRENT> (171)
33.4

$$$$
WAY-301288
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C12H20O2

>  <MolWeight> (172)
196.286

>  <PCAT_CMPD_ID> (172)
WAY-301288

>  <CNC_ID> (172)
359371627

>  <transfer_container_id> (172)
PTN000000070

>  <COMPOUND_NUMBER> (172)
WAY-301288

>  <LOCATION_CODE> (172)
PTNCS

>  <AMOUNT_CURRENT> (172)
33

$$$$
WAY-301338
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  5  6  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C12H9N3O3S

>  <MolWeight> (173)
275.28316

>  <PCAT_CMPD_ID> (173)
WAY-301338

>  <CNC_ID> (173)
359371676

>  <transfer_container_id> (173)
PTN000000070

>  <COMPOUND_NUMBER> (173)
WAY-301338

>  <LOCATION_CODE> (173)
PTNCS

>  <AMOUNT_CURRENT> (173)
33

$$$$
WAY-301581
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.9517   -0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C10H15NO2S2

>  <MolWeight> (174)
245.3616

>  <PCAT_CMPD_ID> (174)
WAY-301581

>  <CNC_ID> (174)
359371919

>  <transfer_container_id> (174)
PTN000000070

>  <COMPOUND_NUMBER> (174)
WAY-301581

>  <LOCATION_CODE> (174)
PTNCS

>  <AMOUNT_CURRENT> (174)
33.3

$$$$
WAY-301588
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0276    0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
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 10 12  2  0  0  0  0
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 11 14  1  0  0  0  0
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 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
  5  7  1  0  0  0  0
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 17 20  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (175)
175

>  <Formula> (175)
C17H10ClN3OS

>  <MolWeight> (175)
339.7988

>  <PCAT_CMPD_ID> (175)
WAY-301588

>  <CNC_ID> (175)
359371926

>  <transfer_container_id> (175)
PTN000000070

>  <COMPOUND_NUMBER> (175)
WAY-301588

>  <LOCATION_CODE> (175)
PTNCS

>  <AMOUNT_CURRENT> (175)
33.3

$$$$
WAY-388360
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.1974   -1.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 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
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C15H12N4O2

>  <MolWeight> (176)
280.28138

>  <PCAT_CMPD_ID> (176)
WAY-388360

>  <CNC_ID> (176)
359372500

>  <transfer_container_id> (176)
PTN000000070

>  <COMPOUND_NUMBER> (176)
WAY-388360

>  <LOCATION_CODE> (176)
PTNCS

>  <AMOUNT_CURRENT> (176)
32.7

$$$$
WAY-388366
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  2  2  0  0  0  0
 12  6  1  0  0  0  0
 13 16  1  0  0  0  0
 14  6  2  0  0  0  0
 15  4  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 18  5  2  0  0  0  0
 19 21  2  0  0  0  0
 20  7  2  0  0  0  0
 21 24  1  0  0  0  0
 22  9  1  0  0  0  0
 23  9  1  0  0  0  0
 24 16  2  0  0  0  0
 25 18  1  0  0  0  0
 26 20  1  0  0  0  0
  5  7  1  0  0  0  0
 25 26  2  0  0  0  0
  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C18H16ClNO4S2

>  <MolWeight> (177)
409.90694

>  <PCAT_CMPD_ID> (177)
WAY-388366

>  <CNC_ID> (177)
359372506

>  <transfer_container_id> (177)
PTN000000070

>  <COMPOUND_NUMBER> (177)
WAY-388366

>  <LOCATION_CODE> (177)
PTNCS

>  <AMOUNT_CURRENT> (177)
32.4

$$$$
WAY-388689
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  9  2  0  0  0  0
 12 10  1  0  0  0  0
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 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17  3  1  0  0  0  0
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 20  5  1  0  0  0  0
 21  7  1  0  0  0  0
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 25 21  2  0  0  0  0
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 20 24  2  0  0  0  0
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M  END
>  <Mol_ID> (178)
178

>  <Formula> (178)
C20H22N2O3

>  <MolWeight> (178)
338.40028

>  <PCAT_CMPD_ID> (178)
WAY-388689

>  <CNC_ID> (178)
359372827

>  <transfer_container_id> (178)
PTN000000070

>  <COMPOUND_NUMBER> (178)
WAY-388689

>  <LOCATION_CODE> (178)
PTNCS

>  <AMOUNT_CURRENT> (178)
32.6

$$$$
WAY-388694
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
    9.5417   -7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6917   -7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7917    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7125   -5.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3167   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -5.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -7.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8500   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  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  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  2  0  0  0  0
 10  6  2  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 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  2  0  0  0  0
 17  5  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  1  0  0  0  0
 18 14  2  0  0  0  0
 11  8  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
C17H23NO

>  <MolWeight> (179)
257.37062

>  <PCAT_CMPD_ID> (179)
WAY-388694

>  <CNC_ID> (179)
359372832

>  <transfer_container_id> (179)
PTN000000070

>  <COMPOUND_NUMBER> (179)
WAY-388694

>  <LOCATION_CODE> (179)
PTNCS

>  <AMOUNT_CURRENT> (179)
32.2

$$$$
WAY-388761
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.4292   -3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8000   -6.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8625   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8125   -7.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6750   -5.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9125   -8.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -8.9042    0.0000 Cl  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  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
 14  4  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17 19  2  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
  3  5  1  0  0  0  0
 10  7  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C14H9ClN2O2S

>  <MolWeight> (180)
304.75146

>  <PCAT_CMPD_ID> (180)
WAY-388761

>  <CNC_ID> (180)
359372899

>  <transfer_container_id> (180)
PTN000000070

>  <COMPOUND_NUMBER> (180)
WAY-388761

>  <LOCATION_CODE> (180)
PTNCS

>  <AMOUNT_CURRENT> (180)
32.4

$$$$
WAY-388768
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.5500   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167   -9.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042  -14.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167  -10.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -8.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500  -13.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2542  -14.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2917  -12.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3292  -15.2917    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  1  0  0  0  0
  5  1  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17  5  1  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 18 17  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C14H18N2O4S

>  <MolWeight> (181)
310.36872

>  <PCAT_CMPD_ID> (181)
WAY-388768

>  <CNC_ID> (181)
359372906

>  <transfer_container_id> (181)
PTN000000070

>  <COMPOUND_NUMBER> (181)
WAY-388768

>  <LOCATION_CODE> (181)
PTNCS

>  <AMOUNT_CURRENT> (181)
32.1

$$$$
WAY-388792-A
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.3746    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1926    2.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5733    2.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4136    0.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
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  7  2  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20  6  1  0  0  0  0
 21  8  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
  8  6  2  0  0  0  0
 22 23  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C18H14F2N2O

>  <MolWeight> (182)
312.3133664

>  <PCAT_CMPD_ID> (182)
WAY-388792-A

>  <CNC_ID> (182)
359372930

>  <transfer_container_id> (182)
PTN000000070

>  <COMPOUND_NUMBER> (182)
WAY-388792-A

>  <LOCATION_CODE> (182)
PTNCS

>  <AMOUNT_CURRENT> (182)
32.3

$$$$
WAY-388812
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.2763    2.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  2  0  0  0  0
 13  2  1  0  0  0  0
 14  4  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
  6  4  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C13H8Cl3FN2O

>  <MolWeight> (183)
333.5728232

>  <PCAT_CMPD_ID> (183)
WAY-388812

>  <CNC_ID> (183)
359372950

>  <transfer_container_id> (183)
PTN000000070

>  <COMPOUND_NUMBER> (183)
WAY-388812

>  <LOCATION_CODE> (183)
PTNCS

>  <AMOUNT_CURRENT> (183)
32

$$$$
WAY-388995
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  8 11  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  2  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  2  0  0  0  0
 15  7  2  0  0  0  0
 16  6  2  0  0  0  0
 17 12  1  0  0  0  0
 18  1  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
 22 20  2  0  0  0  0
 23 21  2  0  0  0  0
 24 17  2  0  0  0  0
 25 21  1  0  0  0  0
 26 12  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 24  1  0  0  0  0
  3  5  1  0  0  0  0
 28 24  1  0  0  0  0
  7  6  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C21H18ClN5OS

>  <MolWeight> (184)
423.91852

>  <PCAT_CMPD_ID> (184)
WAY-388995

>  <CNC_ID> (184)
359373132

>  <transfer_container_id> (184)
PTN000000070

>  <COMPOUND_NUMBER> (184)
WAY-388995

>  <LOCATION_CODE> (184)
PTNCS

>  <AMOUNT_CURRENT> (184)
32

$$$$
WAY-389012
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
    7.9042   -4.8792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5417  -12.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3667  -11.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750  -13.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042  -13.2625    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  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  4  2  0  0  0  0
 17  6  1  0  0  0  0
 18 11  1  0  0  0  0
 19  8  2  0  0  0  0
 20 11  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24  6  1  0  0  0  0
 25  7  1  0  0  0  0
 26 22  2  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  5 14  1  0  0  0  0
 21 19  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C21H25Cl2N3O3S

>  <MolWeight> (185)
470.4125

>  <PCAT_CMPD_ID> (185)
WAY-389012

>  <CNC_ID> (185)
359373148

>  <transfer_container_id> (185)
PTN000000070

>  <COMPOUND_NUMBER> (185)
WAY-389012

>  <LOCATION_CODE> (185)
PTNCS

>  <AMOUNT_CURRENT> (185)
32.7

$$$$
WAY-389155
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.7542   -8.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -5.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6167   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625   -9.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5750   -6.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6500   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125   -3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750  -10.1667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.4167   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542   -8.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3500   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3500   -1.8875    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  5  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  2  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
  4  2  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C16H19N3O5

>  <MolWeight> (186)
333.33916

>  <PCAT_CMPD_ID> (186)
WAY-389155

>  <CNC_ID> (186)
359373283

>  <transfer_container_id> (186)
PTN000000070

>  <COMPOUND_NUMBER> (186)
WAY-389155

>  <LOCATION_CODE> (186)
PTNCS

>  <AMOUNT_CURRENT> (186)
32.4

$$$$
WAY-389380-A
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
   14.0292  -10.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0417  -10.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4375   -7.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4167  -11.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3 15  1  0  0  0  0
  4  3  1  0  0  0  0
  5 11  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  2  0  0  0  0
  9  1  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 16  1  0  0  0  0
 14  5  2  0  0  0  0
 15 13  1  0  0  0  0
 16  5  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19  2  1  0  0  0  0
 20  8  1  0  0  0  0
 21 12  1  0  0  0  0
 22  8  1  0  0  0  0
 23  6  1  0  0  0  0
 24 13  1  0  0  0  0
 21 20  2  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C16H16ClF3N2O2

>  <MolWeight> (187)
360.7586496

>  <PCAT_CMPD_ID> (187)
WAY-389380-A

>  <CNC_ID> (187)
359373504

>  <transfer_container_id> (187)
PTN000000070

>  <COMPOUND_NUMBER> (187)
WAY-389380-A

>  <LOCATION_CODE> (187)
PTNCS

>  <AMOUNT_CURRENT> (187)
32.7

$$$$
WAY-389409
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.5250   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 15  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14 18  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  1  0  0  0  0
  5  4  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C11H11N3O2S2

>  <MolWeight> (188)
281.35394

>  <PCAT_CMPD_ID> (188)
WAY-389409

>  <CNC_ID> (188)
359373533

>  <transfer_container_id> (188)
PTN000000070

>  <COMPOUND_NUMBER> (188)
WAY-389409

>  <LOCATION_CODE> (188)
PTNCS

>  <AMOUNT_CURRENT> (188)
32

$$$$
WAY-389547
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.7108    3.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6537    4.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5118    7.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  3  2  0  0  0  0
 14 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16  2  1  0  0  0  0
 17  9  1  0  0  0  0
 18  7  2  0  0  0  0
 19 10  2  0  0  0  0
 20 17  2  0  0  0  0
 21  9  1  0  0  0  0
 22 12  1  0  0  0  0
 23 17  1  0  0  0  0
 13 20  1  0  0  0  0
  8  2  2  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C18H16O4S

>  <MolWeight> (189)
328.38224

>  <PCAT_CMPD_ID> (189)
WAY-389547

>  <CNC_ID> (189)
359373670

>  <transfer_container_id> (189)
PTN000000070

>  <COMPOUND_NUMBER> (189)
WAY-389547

>  <LOCATION_CODE> (189)
PTNCS

>  <AMOUNT_CURRENT> (189)
32

$$$$
WAY-389577
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
    4.5000   -2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2292   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -2.8542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125   -2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417   -1.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1625   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0917   -3.0167    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  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
  3  4  2  0  0  0  0
  9  8  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C10H11N3OS

>  <MolWeight> (190)
221.27884

>  <PCAT_CMPD_ID> (190)
WAY-389577

>  <CNC_ID> (190)
359373699

>  <transfer_container_id> (190)
PTN000000070

>  <COMPOUND_NUMBER> (190)
WAY-389577

>  <LOCATION_CODE> (190)
PTNCS

>  <AMOUNT_CURRENT> (190)
32.4

$$$$
WAY-389958
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.2417   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2500   -7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2667   -7.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3875   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7417   -5.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2375   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667  -10.3042    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  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  1  0  0  0  0
 14 21  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  6  2  0  0  0  0
 18 10  2  0  0  0  0
 19 18  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23  9  2  0  0  0  0
 24  8  2  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  1  0  0  0  0
 13 11  1  0  0  0  0
  4  9  1  0  0  0  0
 19 16  2  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C23H22N2O3S

>  <MolWeight> (191)
406.49738

>  <PCAT_CMPD_ID> (191)
WAY-389958

>  <CNC_ID> (191)
359374067

>  <transfer_container_id> (191)
PTN000000070

>  <COMPOUND_NUMBER> (191)
WAY-389958

>  <LOCATION_CODE> (191)
PTNCS

>  <AMOUNT_CURRENT> (191)
32.5

$$$$
WAY-390100
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   12.5875   -6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0750   -5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  7  2  0  0  0  0
  4 11  2  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 14  1  0  0  0  0
 12  2  1  0  0  0  0
 13  1  1  0  0  0  0
 14 12  1  0  0  0  0
 15  2  2  0  0  0  0
 16  9  2  0  0  0  0
 17 13  2  0  0  0  0
 18  5  1  0  0  0  0
 19 17  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 14  2  0  0  0  0
 23  9  1  0  0  0  0
 10  8  1  0  0  0  0
 19 18  2  0  0  0  0
 20  4  1  0  0  0  0
M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C18H14O5

>  <MolWeight> (192)
310.30076

>  <PCAT_CMPD_ID> (192)
WAY-390100

>  <CNC_ID> (192)
359374206

>  <transfer_container_id> (192)
PTN000000070

>  <COMPOUND_NUMBER> (192)
WAY-390100

>  <LOCATION_CODE> (192)
PTNCS

>  <AMOUNT_CURRENT> (192)
33

$$$$
WAY-390116
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.9875   -6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9625   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
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  6  3  2  0  0  0  0
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  8 15  1  0  0  0  0
  9  1  1  0  0  0  0
 10 14  2  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16  6  1  0  0  0  0
 17  4  2  0  0  0  0
 18  7  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 11  7  2  0  0  0  0
  4  5  1  0  0  0  0
 25 24  2  0  0  0  0
 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C18H15N3O2S2

>  <MolWeight> (193)
369.4606

>  <PCAT_CMPD_ID> (193)
WAY-390116

>  <CNC_ID> (193)
359374222

>  <transfer_container_id> (193)
PTN000000070

>  <COMPOUND_NUMBER> (193)
WAY-390116

>  <LOCATION_CODE> (193)
PTNCS

>  <AMOUNT_CURRENT> (193)
32.7

$$$$
WAY-390139-A
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 22  1  1  0  0  0  0
 23  7  1  0  0  0  0
 24 13  1  0  0  0  0
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 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C21H25F2NO3

>  <MolWeight> (194)
377.4249064

>  <PCAT_CMPD_ID> (194)
WAY-390139-A

>  <CNC_ID> (194)
359374244

>  <transfer_container_id> (194)
PTN000000070

>  <COMPOUND_NUMBER> (194)
WAY-390139-A

>  <LOCATION_CODE> (194)
PTNCS

>  <AMOUNT_CURRENT> (194)
32.3

$$$$
CL-406564
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 12 16  2  0  0  0  0
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 19 22  1  0  0  0  0
  6  9  1  0  0  0  0
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 13 16  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C16H13N3O2S

>  <MolWeight> (195)
311.35832

>  <PCAT_CMPD_ID> (195)
CL-406564

>  <CNC_ID> (195)
359380549

>  <transfer_container_id> (195)
PTN000000071

>  <COMPOUND_NUMBER> (195)
CL-406564

>  <LOCATION_CODE> (195)
PTNCS

>  <AMOUNT_CURRENT> (195)
33.4

$$$$
WAY-119289
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.5705    2.7510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  6  2  1  0  0  0  0
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  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20  4  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  1  0  0  0  0
  5  3  1  0  0  0  0
 17 16  2  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C17H19NO4

>  <MolWeight> (196)
301.33706

>  <PCAT_CMPD_ID> (196)
WAY-119289

>  <CNC_ID> (196)
359380708

>  <transfer_container_id> (196)
PTN000000071

>  <COMPOUND_NUMBER> (196)
WAY-119289

>  <LOCATION_CODE> (196)
PTNCS

>  <AMOUNT_CURRENT> (196)
33.2

$$$$
WAY-237595
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.7759   -0.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C10H9NO2S

>  <MolWeight> (197)
207.24896

>  <PCAT_CMPD_ID> (197)
WAY-237595

>  <CNC_ID> (197)
359380882

>  <transfer_container_id> (197)
PTN000000071

>  <COMPOUND_NUMBER> (197)
WAY-237595

>  <LOCATION_CODE> (197)
PTNCS

>  <AMOUNT_CURRENT> (197)
33.4

$$$$
WAY-302091
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C14H15NO2S

>  <MolWeight> (198)
261.3394

>  <PCAT_CMPD_ID> (198)
WAY-302091

>  <CNC_ID> (198)
359383077

>  <transfer_container_id> (198)
PTN000000071

>  <COMPOUND_NUMBER> (198)
WAY-302091

>  <LOCATION_CODE> (198)
PTNCS

>  <AMOUNT_CURRENT> (198)
33.3

$$$$
WAY-302412
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C10H12F3N3O

>  <MolWeight> (199)
247.2169896

>  <PCAT_CMPD_ID> (199)
WAY-302412

>  <CNC_ID> (199)
359383398

>  <transfer_container_id> (199)
PTN000000071

>  <COMPOUND_NUMBER> (199)
WAY-302412

>  <LOCATION_CODE> (199)
PTNCS

>  <AMOUNT_CURRENT> (199)
33

$$$$
WAY-302560
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.4655    0.2828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C9H14N6O2

>  <MolWeight> (200)
238.24646

>  <PCAT_CMPD_ID> (200)
WAY-302560

>  <CNC_ID> (200)
359383547

>  <transfer_container_id> (200)
PTN000000071

>  <COMPOUND_NUMBER> (200)
WAY-302560

>  <LOCATION_CODE> (200)
PTNCS

>  <AMOUNT_CURRENT> (200)
33.3

$$$$
WAY-302814
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C10H11F3N2O2

>  <MolWeight> (201)
248.2017496

>  <PCAT_CMPD_ID> (201)
WAY-302814

>  <CNC_ID> (201)
359383800

>  <transfer_container_id> (201)
PTN000000071

>  <COMPOUND_NUMBER> (201)
WAY-302814

>  <LOCATION_CODE> (201)
PTNCS

>  <AMOUNT_CURRENT> (201)
33

$$$$
WAY-302921
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 18 20  1  0  0  0  0
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 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C21H23NO3

>  <MolWeight> (202)
337.41222

>  <PCAT_CMPD_ID> (202)
WAY-302921

>  <CNC_ID> (202)
359383907

>  <transfer_container_id> (202)
PTN000000071

>  <COMPOUND_NUMBER> (202)
WAY-302921

>  <LOCATION_CODE> (202)
PTNCS

>  <AMOUNT_CURRENT> (202)
33.5

$$$$
WAY-302956
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 19  2  0  0  0  0
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 17 21  1  0  0  0  0
 10 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C15H18ClNO4

>  <MolWeight> (203)
311.76072

>  <PCAT_CMPD_ID> (203)
WAY-302956

>  <CNC_ID> (203)
359383942

>  <transfer_container_id> (203)
PTN000000071

>  <COMPOUND_NUMBER> (203)
WAY-302956

>  <LOCATION_CODE> (203)
PTNCS

>  <AMOUNT_CURRENT> (203)
33.4

$$$$
WAY-303216
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11 16  2  0  0  0  0
 17 18  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C18H14N2O3S

>  <MolWeight> (204)
338.38036

>  <PCAT_CMPD_ID> (204)
WAY-303216

>  <CNC_ID> (204)
359384200

>  <transfer_container_id> (204)
PTN000000071

>  <COMPOUND_NUMBER> (204)
WAY-303216

>  <LOCATION_CODE> (204)
PTNCS

>  <AMOUNT_CURRENT> (204)
33.3

$$$$
WAY-303238
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C13H12O4

>  <MolWeight> (205)
232.23198

>  <PCAT_CMPD_ID> (205)
WAY-303238

>  <CNC_ID> (205)
359384222

>  <transfer_container_id> (205)
PTN000000071

>  <COMPOUND_NUMBER> (205)
WAY-303238

>  <LOCATION_CODE> (205)
PTNCS

>  <AMOUNT_CURRENT> (205)
33.5

$$$$
WAY-322971
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
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 20 18  2  0  0  0  0
  4  3  1  0  0  0  0
  8 11  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C16H12ClNO2

>  <MolWeight> (206)
285.72498

>  <PCAT_CMPD_ID> (206)
WAY-322971

>  <CNC_ID> (206)
359385015

>  <transfer_container_id> (206)
PTN000000071

>  <COMPOUND_NUMBER> (206)
WAY-322971

>  <LOCATION_CODE> (206)
PTNCS

>  <AMOUNT_CURRENT> (206)
32.6

$$$$
WAY-323405
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
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  5 10  2  0  0  0  0
  6 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
 13 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
 19 22  1  0  0  0  0
 20 23  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> (207)
207

>  <Formula> (207)
C16H14N4O3

>  <MolWeight> (207)
310.30736

>  <PCAT_CMPD_ID> (207)
WAY-323405

>  <CNC_ID> (207)
359385016

>  <transfer_container_id> (207)
PTN000000071

>  <COMPOUND_NUMBER> (207)
WAY-323405

>  <LOCATION_CODE> (207)
PTNCS

>  <AMOUNT_CURRENT> (207)
32.7

$$$$
WAY-382830
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 14  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14 16  1  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 10  1  0  0  0  0
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 20  9  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  2  0  0  0  0
 24  7  2  0  0  0  0
 25  8  2  0  0  0  0
 26 20  1  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 26  1  0  0  0  0
 30 28  2  0  0  0  0
  5  3  2  0  0  0  0
 30 25  1  0  0  0  0
 17 14  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C25H26N2O3

>  <MolWeight> (208)
402.48554

>  <PCAT_CMPD_ID> (208)
WAY-382830

>  <CNC_ID> (208)
359385090

>  <transfer_container_id> (208)
PTN000000071

>  <COMPOUND_NUMBER> (208)
WAY-382830

>  <LOCATION_CODE> (208)
PTNCS

>  <AMOUNT_CURRENT> (208)
32.4

$$$$
WAY-382837
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  6  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 14  6  2  0  0  0  0
 15  3  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18  7  2  0  0  0  0
 19  9  2  0  0  0  0
 20 17  1  0  0  0  0
 21 22  2  0  0  0  0
 22 19  1  0  0  0  0
  4  2  2  0  0  0  0
 13 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C14H10ClN3O3S

>  <MolWeight> (209)
335.7655

>  <PCAT_CMPD_ID> (209)
WAY-382837

>  <CNC_ID> (209)
359385096

>  <transfer_container_id> (209)
PTN000000071

>  <COMPOUND_NUMBER> (209)
WAY-382837

>  <LOCATION_CODE> (209)
PTNCS

>  <AMOUNT_CURRENT> (209)
32.7

$$$$
WAY-383287
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12 20  2  0  0  0  0
 13 19  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16  6  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
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 20 17  1  0  0  0  0
 21 14  1  0  0  0  0
 22 16  1  0  0  0  0
  4  5  1  0  0  0  0
 11 18  2  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C16H12ClNO3S

>  <MolWeight> (210)
333.78938

>  <PCAT_CMPD_ID> (210)
WAY-383287

>  <CNC_ID> (210)
359385455

>  <transfer_container_id> (210)
PTN000000071

>  <COMPOUND_NUMBER> (210)
WAY-383287

>  <LOCATION_CODE> (210)
PTNCS

>  <AMOUNT_CURRENT> (210)
32.2

$$$$
WAY-383299
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C15H13FO3

>  <MolWeight> (211)
260.2603232

>  <PCAT_CMPD_ID> (211)
WAY-383299

>  <CNC_ID> (211)
359385466

>  <transfer_container_id> (211)
PTN000000071

>  <COMPOUND_NUMBER> (211)
WAY-383299

>  <LOCATION_CODE> (211)
PTNCS

>  <AMOUNT_CURRENT> (211)
32.1

$$$$
WAY-390192
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C13H17NO4

>  <MolWeight> (212)
251.27838

>  <PCAT_CMPD_ID> (212)
WAY-390192

>  <CNC_ID> (212)
359385562

>  <transfer_container_id> (212)
PTN000000071

>  <COMPOUND_NUMBER> (212)
WAY-390192

>  <LOCATION_CODE> (212)
PTNCS

>  <AMOUNT_CURRENT> (212)
32.2

$$$$
WAY-383048
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C11H20N2S

>  <MolWeight> (213)
212.3549

>  <PCAT_CMPD_ID> (213)
WAY-383048

>  <CNC_ID> (213)
359385253

>  <transfer_container_id> (213)
PTN000000071

>  <COMPOUND_NUMBER> (213)
WAY-383048

>  <LOCATION_CODE> (213)
PTNCS

>  <AMOUNT_CURRENT> (213)
32.3

$$$$
WAY-383060
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
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M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C14H12FNO3S

>  <MolWeight> (214)
293.3133832

>  <PCAT_CMPD_ID> (214)
WAY-383060

>  <CNC_ID> (214)
359385265

>  <transfer_container_id> (214)
PTN000000071

>  <COMPOUND_NUMBER> (214)
WAY-383060

>  <LOCATION_CODE> (214)
PTNCS

>  <AMOUNT_CURRENT> (214)
32.5

$$$$
WAY-392483
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 25 21  1  0  0  0  0
 26  8  1  0  0  0  0
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 24 21  2  0  0  0  0
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M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C22H18FN3O4S

>  <MolWeight> (215)
439.4594232

>  <PCAT_CMPD_ID> (215)
WAY-392483

>  <CNC_ID> (215)
359387752

>  <transfer_container_id> (215)
PTN000000071

>  <COMPOUND_NUMBER> (215)
WAY-392483

>  <LOCATION_CODE> (215)
PTNCS

>  <AMOUNT_CURRENT> (215)
32.3

$$$$
CL-426090
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (216)
216

>  <Formula> (216)
C21H17N3O

>  <MolWeight> (216)
327.37918

>  <PCAT_CMPD_ID> (216)
CL-426090

>  <CNC_ID> (216)
359394125

>  <transfer_container_id> (216)
PTN000000072

>  <COMPOUND_NUMBER> (216)
CL-426090

>  <LOCATION_CODE> (216)
PTNCS

>  <AMOUNT_CURRENT> (216)
33.5

$$$$
GI-569187
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    1.2037    0.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6244   -0.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4037   -0.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727   -0.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5520   -0.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1141   -0.8658    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  2  0  0  0  0
  6 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  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 18 19  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C22H18N2O3

>  <MolWeight> (217)
358.38992

>  <PCAT_CMPD_ID> (217)
GI-569187

>  <CNC_ID> (217)
359394162

>  <transfer_container_id> (217)
PTN000000072

>  <COMPOUND_NUMBER> (217)
GI-569187

>  <LOCATION_CODE> (217)
PTNCS

>  <AMOUNT_CURRENT> (217)
33.8

$$$$
WAY-116714-A
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.3740    5.5825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8130    6.5040    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3740    3.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520    5.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6910    2.7315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0650    2.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6260    3.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0650    6.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1870    2.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520    3.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8780    3.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6260    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4390    2.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000    3.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3740    9.2250    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 10  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  7  2  0  0  0  0
 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
 12 16  1  0  0  0  0
 13  2  1  0  0  0  0
 14  4  1  0  0  0  0
 15 20  1  0  0  0  0
 16  6  2  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19  8  1  0  0  0  0
 20 14  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 22 13  1  0  0  0  0
  9 17  1  0  0  0  0
 15  5  2  0  0  0  0
M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C19H24N2O

>  <MolWeight> (218)
296.40666

>  <PCAT_CMPD_ID> (218)
WAY-116714-A

>  <CNC_ID> (218)
359394209

>  <transfer_container_id> (218)
PTN000000072

>  <COMPOUND_NUMBER> (218)
WAY-116714-A

>  <LOCATION_CODE> (218)
PTNCS

>  <AMOUNT_CURRENT> (218)
33.3

$$$$
WAY-223224
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0017   -0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0982   -0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4051    0.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672   -1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6189    0.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6086   -1.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810    1.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.7624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9913   -2.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    1.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5327    0.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5638    0.7728    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  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 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  2  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
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C16H13NO3

>  <MolWeight> (219)
267.27932

>  <PCAT_CMPD_ID> (219)
WAY-223224

>  <CNC_ID> (219)
359394339

>  <transfer_container_id> (219)
PTN000000072

>  <COMPOUND_NUMBER> (219)
WAY-223224

>  <LOCATION_CODE> (219)
PTNCS

>  <AMOUNT_CURRENT> (219)
33.4

$$$$
WAY-232096
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.3031    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6972    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8848    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3755    2.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1754    2.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5096    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  1  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 11  2  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 17 12  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C15H15NO3S

>  <MolWeight> (220)
289.3495

>  <PCAT_CMPD_ID> (220)
WAY-232096

>  <CNC_ID> (220)
359394392

>  <transfer_container_id> (220)
PTN000000072

>  <COMPOUND_NUMBER> (220)
WAY-232096

>  <LOCATION_CODE> (220)
PTNCS

>  <AMOUNT_CURRENT> (220)
33.4

$$$$
WAY-303363
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.2281    0.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8531   -0.2444    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  6  2  1  0  0  0  0
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  8  5  1  0  0  0  0
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 10  8  2  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 15  9  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18  3  1  0  0  0  0
 19 17  2  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 12  2  0  0  0  0
 25 12  1  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
  7  6  2  0  0  0  0
 15 13  1  0  0  0  0
 22 16  2  0  0  0  0
M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C19H18N4O3S

>  <MolWeight> (221)
382.43622

>  <PCAT_CMPD_ID> (221)
WAY-303363

>  <CNC_ID> (221)
359394543

>  <transfer_container_id> (221)
PTN000000072

>  <COMPOUND_NUMBER> (221)
WAY-303363

>  <LOCATION_CODE> (221)
PTNCS

>  <AMOUNT_CURRENT> (221)
33.7

$$$$
WAY-303633
csChFnd80/10101909502D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.7172    0.5897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.0172    0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0172    1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 16 20  2  0  0  0  0
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 17 22  2  0  0  0  0
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 19 24  2  0  0  0  0
 21 25  1  0  0  0  0
 23 26  2  0  0  0  0
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 25 28  2  0  0  0  0
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 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
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 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C27H26N2O4

>  <MolWeight> (222)
442.50634

>  <PCAT_CMPD_ID> (222)
WAY-303633

>  <CNC_ID> (222)
359394813

>  <transfer_container_id> (222)
PTN000000072

>  <COMPOUND_NUMBER> (222)
WAY-303633

>  <LOCATION_CODE> (222)
PTNCS

>  <AMOUNT_CURRENT> (222)
33.3

$$$$
WAY-304128
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  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
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  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
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C20H21NO3

>  <MolWeight> (223)
323.38564

>  <PCAT_CMPD_ID> (223)
WAY-304128

>  <CNC_ID> (223)
359395306

>  <transfer_container_id> (223)
PTN000000072

>  <COMPOUND_NUMBER> (223)
WAY-304128

>  <LOCATION_CODE> (223)
PTNCS

>  <AMOUNT_CURRENT> (223)
33.7

$$$$
WAY-304205
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3654    0.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4829    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2068    2.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8622   -2.7067    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
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  5 10  2  0  0  0  0
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  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C20H21NO4

>  <MolWeight> (224)
339.38504

>  <PCAT_CMPD_ID> (224)
WAY-304205

>  <CNC_ID> (224)
359395383

>  <transfer_container_id> (224)
PTN000000072

>  <COMPOUND_NUMBER> (224)
WAY-304205

>  <LOCATION_CODE> (224)
PTNCS

>  <AMOUNT_CURRENT> (224)
33.2

$$$$
WAY-304416
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.7966   -0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  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
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 10 12  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C11H7Cl2NO3S

>  <MolWeight> (225)
304.14918

>  <PCAT_CMPD_ID> (225)
WAY-304416

>  <CNC_ID> (225)
359395596

>  <transfer_container_id> (225)
PTN000000072

>  <COMPOUND_NUMBER> (225)
WAY-304416

>  <LOCATION_CODE> (225)
PTNCS

>  <AMOUNT_CURRENT> (225)
33.5

$$$$
WAY-304456
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 24  2  0  0  0  0
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 17 15  1  0  0  0  0
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 23 10  1  0  0  0  0
 24 20  1  0  0  0  0
 25 11  1  0  0  0  0
  5  6  1  0  0  0  0
  9  7  2  0  0  0  0
 15 13  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C15H8F3N3O4

>  <MolWeight> (226)
351.2369296

>  <PCAT_CMPD_ID> (226)
WAY-304456

>  <CNC_ID> (226)
359395636

>  <transfer_container_id> (226)
PTN000000072

>  <COMPOUND_NUMBER> (226)
WAY-304456

>  <LOCATION_CODE> (226)
PTNCS

>  <AMOUNT_CURRENT> (226)
33.1

$$$$
WAY-304625
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.8069    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C19H28N2O

>  <MolWeight> (227)
300.43842

>  <PCAT_CMPD_ID> (227)
WAY-304625

>  <CNC_ID> (227)
359395805

>  <transfer_container_id> (227)
PTN000000072

>  <COMPOUND_NUMBER> (227)
WAY-304625

>  <LOCATION_CODE> (227)
PTNCS

>  <AMOUNT_CURRENT> (227)
33.9

$$$$
WAY-304719
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
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  8 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (228)
228

>  <Formula> (228)
C16H10BrNO2

>  <MolWeight> (228)
328.1601

>  <PCAT_CMPD_ID> (228)
WAY-304719

>  <CNC_ID> (228)
359395899

>  <transfer_container_id> (228)
PTN000000072

>  <COMPOUND_NUMBER> (228)
WAY-304719

>  <LOCATION_CODE> (228)
PTNCS

>  <AMOUNT_CURRENT> (228)
33.4

$$$$
WAY-304773-A
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.1586   -0.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (229)
229

>  <Formula> (229)
C14H28N2

>  <MolWeight> (229)
224.38552

>  <PCAT_CMPD_ID> (229)
WAY-304773-A

>  <CNC_ID> (229)
359395953

>  <transfer_container_id> (229)
PTN000000072

>  <COMPOUND_NUMBER> (229)
WAY-304773-A

>  <LOCATION_CODE> (229)
PTNCS

>  <AMOUNT_CURRENT> (229)
33.1

$$$$
WAY-304784
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  4 10  2  0  0  0  0
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 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (230)
230

>  <Formula> (230)
C9H7ClN2OS

>  <MolWeight> (230)
226.68268

>  <PCAT_CMPD_ID> (230)
WAY-304784

>  <CNC_ID> (230)
359395963

>  <transfer_container_id> (230)
PTN000000072

>  <COMPOUND_NUMBER> (230)
WAY-304784

>  <LOCATION_CODE> (230)
PTNCS

>  <AMOUNT_CURRENT> (230)
33.6

$$$$
WAY-304860
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 13 20  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (231)
231

>  <Formula> (231)
C15H9FN4O3

>  <MolWeight> (231)
312.2553632

>  <PCAT_CMPD_ID> (231)
WAY-304860

>  <CNC_ID> (231)
359396039

>  <transfer_container_id> (231)
PTN000000072

>  <COMPOUND_NUMBER> (231)
WAY-304860

>  <LOCATION_CODE> (231)
PTNCS

>  <AMOUNT_CURRENT> (231)
33.6

$$$$
WAY-305375
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (232)
232

>  <Formula> (232)
C16H16N2O2

>  <MolWeight> (232)
268.31044

>  <PCAT_CMPD_ID> (232)
WAY-305375

>  <CNC_ID> (232)
359396552

>  <transfer_container_id> (232)
PTN000000072

>  <COMPOUND_NUMBER> (232)
WAY-305375

>  <LOCATION_CODE> (232)
PTNCS

>  <AMOUNT_CURRENT> (232)
33.8

$$$$
WAY-305551
csChFnd80/10101909502D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (233)
233

>  <Formula> (233)
C23H17F3N2O

>  <MolWeight> (233)
394.3890896

>  <PCAT_CMPD_ID> (233)
WAY-305551

>  <CNC_ID> (233)
359396727

>  <transfer_container_id> (233)
PTN000000072

>  <COMPOUND_NUMBER> (233)
WAY-305551

>  <LOCATION_CODE> (233)
PTNCS

>  <AMOUNT_CURRENT> (233)
33.5

$$$$
WAY-305591-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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  2  7  1  0  0  0  0
M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
C14H15ClN2

>  <MolWeight> (234)
246.7353

>  <PCAT_CMPD_ID> (234)
WAY-305591-A

>  <CNC_ID> (234)
359396767

>  <transfer_container_id> (234)
PTN000000072

>  <COMPOUND_NUMBER> (234)
WAY-305591-A

>  <LOCATION_CODE> (234)
PTNCS

>  <AMOUNT_CURRENT> (234)
33.8

$$$$
WAY-321007
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C14H15ClN2O

>  <MolWeight> (235)
262.7347

>  <PCAT_CMPD_ID> (235)
WAY-321007

>  <CNC_ID> (235)
359397139

>  <transfer_container_id> (235)
PTN000000076

>  <COMPOUND_NUMBER> (235)
WAY-321007

>  <LOCATION_CODE> (235)
PTNCS

>  <AMOUNT_CURRENT> (235)
32.4

$$$$
WAY-382955
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  7  1  0  0  0  0
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 13  8  1  0  0  0  0
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 13 12  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C21H22N2O5S

>  <MolWeight> (236)
414.47478

>  <PCAT_CMPD_ID> (236)
WAY-382955

>  <CNC_ID> (236)
359399377

>  <transfer_container_id> (236)
PTN000000072

>  <COMPOUND_NUMBER> (236)
WAY-382955

>  <LOCATION_CODE> (236)
PTNCS

>  <AMOUNT_CURRENT> (236)
32.3

$$$$
WAY-383068
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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 19 28  2  0  0  0  0
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M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C19H21ClN4O3S2

>  <MolWeight> (237)
452.97804

>  <PCAT_CMPD_ID> (237)
WAY-383068

>  <CNC_ID> (237)
359398550

>  <transfer_container_id> (237)
PTN000000072

>  <COMPOUND_NUMBER> (237)
WAY-383068

>  <LOCATION_CODE> (237)
PTNCS

>  <AMOUNT_CURRENT> (237)
32.9

$$$$
WAY-383375
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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   -2.7333   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708   -0.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -0.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1958   -0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.8792    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  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17  7  1  0  0  0  0
  8  9  1  0  0  0  0
  5  7  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C11H9N3OS2

>  <MolWeight> (238)
263.33866

>  <PCAT_CMPD_ID> (238)
WAY-383375

>  <CNC_ID> (238)
359399455

>  <transfer_container_id> (238)
PTN000000072

>  <COMPOUND_NUMBER> (238)
WAY-383375

>  <LOCATION_CODE> (238)
PTNCS

>  <AMOUNT_CURRENT> (238)
32.9

$$$$
WAY-383391
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
   12.0917   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    3.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    1.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917    6.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000   -3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -0.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625    8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9292    1.1500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   15.3917   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500   -5.6250    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  5  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  2  0  0  0  0
 17  7  1  0  0  0  0
 15 17  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C12H8Cl2O3

>  <MolWeight> (239)
271.09612

>  <PCAT_CMPD_ID> (239)
WAY-383391

>  <CNC_ID> (239)
359399471

>  <transfer_container_id> (239)
PTN000000072

>  <COMPOUND_NUMBER> (239)
WAY-383391

>  <LOCATION_CODE> (239)
PTNCS

>  <AMOUNT_CURRENT> (239)
32.8

$$$$
WAY-383443
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
    9.9167    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4875    0.4625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3250    4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0750    4.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8500    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    4.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3917    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  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
  6  7  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C11H15NOS

>  <MolWeight> (240)
209.3079

>  <PCAT_CMPD_ID> (240)
WAY-383443

>  <CNC_ID> (240)
359399506

>  <transfer_container_id> (240)
PTN000000072

>  <COMPOUND_NUMBER> (240)
WAY-383443

>  <LOCATION_CODE> (240)
PTNCS

>  <AMOUNT_CURRENT> (240)
32.5

$$$$
WAY-383444
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
   10.2667   -6.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -5.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667   -6.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0417  -10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -5.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2917   -9.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -8.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8417   -9.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5625  -10.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000  -12.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417  -12.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6750   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8667  -14.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6417  -16.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6167  -13.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292  -14.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5250   -6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2625   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542   -3.0125    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  6  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15  2  1  0  0  0  0
 16 21  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22  7  1  0  0  0  0
 23  9  2  0  0  0  0
 24 14  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 24  1  0  0  0  0
 28 15  1  0  0  0  0
 29 22  1  0  0  0  0
 30 28  1  0  0  0  0
  7  5  2  0  0  0  0
 30 29  1  0  0  0  0
 14 26  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C22H24FN5O2

>  <MolWeight> (241)
409.4566632

>  <PCAT_CMPD_ID> (241)
WAY-383444

>  <CNC_ID> (241)
359399507

>  <transfer_container_id> (241)
PTN000000072

>  <COMPOUND_NUMBER> (241)
WAY-383444

>  <LOCATION_CODE> (241)
PTNCS

>  <AMOUNT_CURRENT> (241)
32.6

$$$$
WAY-383855
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.0750   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8917   -0.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5875   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3750   -0.1250    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  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
  8  9  1  0  0  0  0
 10  7  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C13H15N5

>  <MolWeight> (242)
241.2917

>  <PCAT_CMPD_ID> (242)
WAY-383855

>  <CNC_ID> (242)
359399895

>  <transfer_container_id> (242)
PTN000000072

>  <COMPOUND_NUMBER> (242)
WAY-383855

>  <LOCATION_CODE> (242)
PTNCS

>  <AMOUNT_CURRENT> (242)
32.5

$$$$
WAY-383529
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    4.6625   -3.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  2  1  0  0  0  0
 14  4  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  2  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
 19  7  1  0  0  0  0
 20 10  1  0  0  0  0
 21  3  1  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
  9  3  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C16H25NO5S

>  <MolWeight> (243)
343.4384

>  <PCAT_CMPD_ID> (243)
WAY-383529

>  <CNC_ID> (243)
359399599

>  <transfer_container_id> (243)
PTN000000072

>  <COMPOUND_NUMBER> (243)
WAY-383529

>  <LOCATION_CODE> (243)
PTNCS

>  <AMOUNT_CURRENT> (243)
33

$$$$
WAY-383670
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
    5.5542   -2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792   -6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  2  0  0  0  0
 11  9  2  0  0  0  0
 12  1  2  0  0  0  0
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 15  6  1  0  0  0  0
 16  1  1  0  0  0  0
 17  3  1  0  0  0  0
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 20  9  1  0  0  0  0
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 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C17H20Cl2N2O4

>  <MolWeight> (244)
387.2577

>  <PCAT_CMPD_ID> (244)
WAY-383670

>  <CNC_ID> (244)
359399730

>  <transfer_container_id> (244)
PTN000000072

>  <COMPOUND_NUMBER> (244)
WAY-383670

>  <LOCATION_CODE> (244)
PTNCS

>  <AMOUNT_CURRENT> (244)
32.2

$$$$
WAY-383946
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 10  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10 12  1  0  0  0  0
 11 19  1  0  0  0  0
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 13 11  2  0  0  0  0
 14  1  1  0  0  0  0
 15 10  1  0  0  0  0
 16 20  1  0  0  0  0
 17 11  1  0  0  0  0
 18  6  1  0  0  0  0
 19 24  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  1  0  0  0  0
 22  4  1  0  0  0  0
 23  5  1  0  0  0  0
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 26 23  2  0  0  0  0
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 25 26  1  0  0  0  0
 16  7  2  0  0  0  0
M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
C18H13Cl2NO5

>  <MolWeight> (245)
394.20552

>  <PCAT_CMPD_ID> (245)
WAY-383946

>  <CNC_ID> (245)
359399967

>  <transfer_container_id> (245)
PTN000000072

>  <COMPOUND_NUMBER> (245)
WAY-383946

>  <LOCATION_CODE> (245)
PTNCS

>  <AMOUNT_CURRENT> (245)
32.5

$$$$
WAY-384143
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  9  2  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16  6  1  0  0  0  0
 17 19  2  0  0  0  0
 18 14  2  0  0  0  0
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 20 17  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
  6  7  2  0  0  0  0
 17 18  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (246)
246

>  <Formula> (246)
C15H14ClN5O

>  <MolWeight> (246)
315.75756

>  <PCAT_CMPD_ID> (246)
WAY-384143

>  <CNC_ID> (246)
359400146

>  <transfer_container_id> (246)
PTN000000072

>  <COMPOUND_NUMBER> (246)
WAY-384143

>  <LOCATION_CODE> (246)
PTNCS

>  <AMOUNT_CURRENT> (246)
32.5

$$$$
WAY-384778
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  3  2  0  0  0  0
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 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (247)
247

>  <Formula> (247)
C11H11ClN4O2S

>  <MolWeight> (247)
298.74864

>  <PCAT_CMPD_ID> (247)
WAY-384778

>  <CNC_ID> (247)
359400741

>  <transfer_container_id> (247)
PTN000000072

>  <COMPOUND_NUMBER> (247)
WAY-384778

>  <LOCATION_CODE> (247)
PTNCS

>  <AMOUNT_CURRENT> (247)
32.3

$$$$
WAY-384957
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 15  7  2  0  0  0  0
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M  END
>  <Mol_ID> (248)
248

>  <Formula> (248)
C11H9Cl2NO2

>  <MolWeight> (248)
258.10066

>  <PCAT_CMPD_ID> (248)
WAY-384957

>  <CNC_ID> (248)
359400887

>  <transfer_container_id> (248)
PTN000000072

>  <COMPOUND_NUMBER> (248)
WAY-384957

>  <LOCATION_CODE> (248)
PTNCS

>  <AMOUNT_CURRENT> (248)
32.4

$$$$
WAY-384974
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
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 14  8  2  0  0  0  0
 15  6  1  0  0  0  0
 16 11  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 11  1  0  0  0  0
 20  5  1  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 12  1  0  0  0  0
 24 17  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  2  0  0  0  0
 27 21  2  0  0  0  0
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 29 26  1  0  0  0  0
 30 28  2  0  0  0  0
  9 12  2  0  0  0  0
 23 29  2  0  0  0  0
 27 30  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C24H21N3O2S

>  <MolWeight> (249)
415.50744

>  <PCAT_CMPD_ID> (249)
WAY-384974

>  <CNC_ID> (249)
359400903

>  <transfer_container_id> (249)
PTN000000072

>  <COMPOUND_NUMBER> (249)
WAY-384974

>  <LOCATION_CODE> (249)
PTNCS

>  <AMOUNT_CURRENT> (249)
32.9

$$$$
WAY-385444
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.0792   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 21  1  0  0  0  0
  4  5  1  0  0  0  0
 18 20  2  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (250)
250

>  <Formula> (250)
C18H19N3O2S

>  <MolWeight> (250)
341.42736

>  <PCAT_CMPD_ID> (250)
WAY-385444

>  <CNC_ID> (250)
359401323

>  <transfer_container_id> (250)
PTN000000072

>  <COMPOUND_NUMBER> (250)
WAY-385444

>  <LOCATION_CODE> (250)
PTNCS

>  <AMOUNT_CURRENT> (250)
32.6

$$$$
CL-97931
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -0.7288    0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6574    0.8485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  5 10  1  0  0  0  0
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  6 12  2  0  0  0  0
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 10 14  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (251)
251

>  <Formula> (251)
C8H6N6

>  <MolWeight> (251)
186.17344

>  <PCAT_CMPD_ID> (251)
CL-97931

>  <CNC_ID> (251)
359407751

>  <transfer_container_id> (251)
PTN000000073

>  <COMPOUND_NUMBER> (251)
CL-97931

>  <LOCATION_CODE> (251)
PTNCS

>  <AMOUNT_CURRENT> (251)
32.6

$$$$
GI-559026
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -2.1057   -0.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1057    0.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0195   -1.1765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1954   -1.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0195    1.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1954    1.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2781   -0.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C15H11NO

>  <MolWeight> (252)
221.25394

>  <PCAT_CMPD_ID> (252)
GI-559026

>  <CNC_ID> (252)
359407763

>  <transfer_container_id> (252)
PTN000000073

>  <COMPOUND_NUMBER> (252)
GI-559026

>  <LOCATION_CODE> (252)
PTNCS

>  <AMOUNT_CURRENT> (252)
33

$$$$
WAY-305842
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.1343    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
  8 11  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (253)
253

>  <Formula> (253)
C8H11FN4O

>  <MolWeight> (253)
198.1975432

>  <PCAT_CMPD_ID> (253)
WAY-305842

>  <CNC_ID> (253)
359408343

>  <transfer_container_id> (253)
PTN000000073

>  <COMPOUND_NUMBER> (253)
WAY-305842

>  <LOCATION_CODE> (253)
PTNCS

>  <AMOUNT_CURRENT> (253)
33.5

$$$$
WAY-305970
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.6448   -1.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
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 22 24  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (254)
254

>  <Formula> (254)
C18H17FN2O3

>  <MolWeight> (254)
328.3375832

>  <PCAT_CMPD_ID> (254)
WAY-305970

>  <CNC_ID> (254)
359408471

>  <transfer_container_id> (254)
PTN000000073

>  <COMPOUND_NUMBER> (254)
WAY-305970

>  <LOCATION_CODE> (254)
PTNCS

>  <AMOUNT_CURRENT> (254)
30.1

$$$$
WAY-306971-A
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.2586   -0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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  9 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (255)
255

>  <Formula> (255)
C14H19N3

>  <MolWeight> (255)
229.32076

>  <PCAT_CMPD_ID> (255)
WAY-306971-A

>  <CNC_ID> (255)
359409469

>  <transfer_container_id> (255)
PTN000000073

>  <COMPOUND_NUMBER> (255)
WAY-306971-A

>  <LOCATION_CODE> (255)
PTNCS

>  <AMOUNT_CURRENT> (255)
33.1

$$$$
WAY-385390
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0113   -0.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
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 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7  8  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (256)
256

>  <Formula> (256)
C11H11F3N2S

>  <MolWeight> (256)
260.2786496

>  <PCAT_CMPD_ID> (256)
WAY-385390

>  <CNC_ID> (256)
359412457

>  <transfer_container_id> (256)
PTN000000073

>  <COMPOUND_NUMBER> (256)
WAY-385390

>  <LOCATION_CODE> (256)
PTNCS

>  <AMOUNT_CURRENT> (256)
32.9

$$$$
WAY-386926
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.6083   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208   -0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
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  6  2  2  0  0  0  0
  7  3  2  0  0  0  0
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 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  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 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 14  1  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 19 23  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (257)
257

>  <Formula> (257)
C19H22N2O2

>  <MolWeight> (257)
310.39018

>  <PCAT_CMPD_ID> (257)
WAY-386926

>  <CNC_ID> (257)
359413657

>  <transfer_container_id> (257)
PTN000000073

>  <COMPOUND_NUMBER> (257)
WAY-386926

>  <LOCATION_CODE> (257)
PTNCS

>  <AMOUNT_CURRENT> (257)
32.1

$$$$
WAY-387557
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.9000  -12.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 10  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10 12  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  2  2  0  0  0  0
 17 19  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 10 13  1  0  0  0  0
 17  6  1  0  0  0  0
M  END
>  <Mol_ID> (258)
258

>  <Formula> (258)
C14H17ClN2O3

>  <MolWeight> (258)
296.74938

>  <PCAT_CMPD_ID> (258)
WAY-387557

>  <CNC_ID> (258)
359413813

>  <transfer_container_id> (258)
PTN000000073

>  <COMPOUND_NUMBER> (258)
WAY-387557

>  <LOCATION_CODE> (258)
PTNCS

>  <AMOUNT_CURRENT> (258)
32.4

$$$$
WAY-387716
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0292   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  2  0  0  0  0
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  8 10  1  0  0  0  0
 14 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (259)
259

>  <Formula> (259)
C18H16N4

>  <MolWeight> (259)
288.34644

>  <PCAT_CMPD_ID> (259)
WAY-387716

>  <CNC_ID> (259)
359413835

>  <transfer_container_id> (259)
PTN000000073

>  <COMPOUND_NUMBER> (259)
WAY-387716

>  <LOCATION_CODE> (259)
PTNCS

>  <AMOUNT_CURRENT> (259)
32.3

$$$$
WAY-308278
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
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 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
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M  END
>  <Mol_ID> (260)
260

>  <Formula> (260)
C13H13N3OS

>  <MolWeight> (260)
259.32682

>  <PCAT_CMPD_ID> (260)
WAY-308278

>  <CNC_ID> (260)
359421132

>  <transfer_container_id> (260)
PTN000000074

>  <COMPOUND_NUMBER> (260)
WAY-308278

>  <LOCATION_CODE> (260)
PTNCS

>  <AMOUNT_CURRENT> (260)
33.7

$$$$
WAY-308438-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   -1.1966   -1.4828    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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
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 11 13  1  0  0  0  0
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 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
  8  9  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (261)
261

>  <Formula> (261)
C15H23NO

>  <MolWeight> (261)
233.34922

>  <PCAT_CMPD_ID> (261)
WAY-308438-A

>  <CNC_ID> (261)
359421291

>  <transfer_container_id> (261)
PTN000000074

>  <COMPOUND_NUMBER> (261)
WAY-308438-A

>  <LOCATION_CODE> (261)
PTNCS

>  <AMOUNT_CURRENT> (261)
33.5

$$$$
WAY-325884
csChFnd80/10101909502D

 31 35  0  0  0  0  0  0  0  0999 V2000
    5.3000   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11 14  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14 20  2  0  0  0  0
 15  2  1  0  0  0  0
 16 11  2  0  0  0  0
 17 10  2  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22  8  1  0  0  0  0
 23 11  1  0  0  0  0
 24 10  1  0  0  0  0
 25 24  1  0  0  0  0
 26 13  2  0  0  0  0
 27 13  1  0  0  0  0
 28 23  1  0  0  0  0
 29 26  1  0  0  0  0
 30 27  2  0  0  0  0
 31 30  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
 14 21  1  0  0  0  0
 22 25  1  0  0  0  0
 31 29  2  0  0  0  0
M  END
>  <Mol_ID> (262)
262

>  <Formula> (262)
C24H21N3O4

>  <MolWeight> (262)
415.44124

>  <PCAT_CMPD_ID> (262)
WAY-325884

>  <CNC_ID> (262)
359422859

>  <transfer_container_id> (262)
PTN000000075

>  <COMPOUND_NUMBER> (262)
WAY-325884

>  <LOCATION_CODE> (262)
PTNCS

>  <AMOUNT_CURRENT> (262)
32.7

$$$$
WAY-341540
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
    5.7875   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0042   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -4.2875    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  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
  4  5  2  0  0  0  0
  8  7  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (263)
263

>  <Formula> (263)
C13H9ClN2S

>  <MolWeight> (263)
260.74196

>  <PCAT_CMPD_ID> (263)
WAY-341540

>  <CNC_ID> (263)
359426499

>  <transfer_container_id> (263)
PTN000000074

>  <COMPOUND_NUMBER> (263)
WAY-341540

>  <LOCATION_CODE> (263)
PTNCS

>  <AMOUNT_CURRENT> (263)
29.3

$$$$
WAY-349782
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2500    1.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7708    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
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  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 12  1  0  0  0  0
 14  3  2  0  0  0  0
 15 13  1  0  0  0  0
 16 19  1  0  0  0  0
 17 12  2  0  0  0  0
 18  9  1  0  0  0  0
 19 21  2  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
  8  7  1  0  0  0  0
  4  5  1  0  0  0  0
 10 16  2  0  0  0  0
M  END
>  <Mol_ID> (264)
264

>  <Formula> (264)
C13H12Cl2N4O2S

>  <MolWeight> (264)
359.23098

>  <PCAT_CMPD_ID> (264)
WAY-349782

>  <CNC_ID> (264)
359437552

>  <transfer_container_id> (264)
PTN000000075

>  <COMPOUND_NUMBER> (264)
WAY-349782

>  <LOCATION_CODE> (264)
PTNCS

>  <AMOUNT_CURRENT> (264)
32.9

$$$$
WAY-350067
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.4792  -10.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7000  -10.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3167  -11.6625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  1  2  0  0  0  0
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  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10 15  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 10  6  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (265)
265

>  <Formula> (265)
C15H16N2O

>  <MolWeight> (265)
240.30034

>  <PCAT_CMPD_ID> (265)
WAY-350067

>  <CNC_ID> (265)
359437825

>  <transfer_container_id> (265)
PTN000000075

>  <COMPOUND_NUMBER> (265)
WAY-350067

>  <LOCATION_CODE> (265)
PTNCS

>  <AMOUNT_CURRENT> (265)
32.4

$$$$
WAY-350133
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 23  4  1  0  0  0  0
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 26  8  1  0  0  0  0
 27  8  1  0  0  0  0
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 16 24  1  0  0  0  0
M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C20H19ClN2O4S

>  <MolWeight> (266)
418.89386

>  <PCAT_CMPD_ID> (266)
WAY-350133

>  <CNC_ID> (266)
359437884

>  <transfer_container_id> (266)
PTN000000075

>  <COMPOUND_NUMBER> (266)
WAY-350133

>  <LOCATION_CODE> (266)
PTNCS

>  <AMOUNT_CURRENT> (266)
32.8

$$$$
WAY-351024
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
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 16 17  2  0  0  0  0
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M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C15H12N2OS

>  <MolWeight> (267)
268.33358

>  <PCAT_CMPD_ID> (267)
WAY-351024

>  <CNC_ID> (267)
359438738

>  <transfer_container_id> (267)
PTN000000075

>  <COMPOUND_NUMBER> (267)
WAY-351024

>  <LOCATION_CODE> (267)
PTNCS

>  <AMOUNT_CURRENT> (267)
32.4

$$$$
WAY-352758
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  8  2  0  0  0  0
 13 17  2  0  0  0  0
 14  5  2  0  0  0  0
 15  4  1  0  0  0  0
 16  3  1  0  0  0  0
 17 14  1  0  0  0  0
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 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 13 12  1  0  0  0  0
  9  3  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (268)
268

>  <Formula> (268)
C13H19N3O4S

>  <MolWeight> (268)
313.37266

>  <PCAT_CMPD_ID> (268)
WAY-352758

>  <CNC_ID> (268)
359440423

>  <transfer_container_id> (268)
PTN000000075

>  <COMPOUND_NUMBER> (268)
WAY-352758

>  <LOCATION_CODE> (268)
PTNCS

>  <AMOUNT_CURRENT> (268)
32.5

$$$$
WAY-354707-A
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 13  7  2  0  0  0  0
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 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
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M  END
>  <Mol_ID> (269)
269

>  <Formula> (269)
C21H16N4

>  <MolWeight> (269)
324.37854

>  <PCAT_CMPD_ID> (269)
WAY-354707-A

>  <CNC_ID> (269)
359442272

>  <transfer_container_id> (269)
PTN000000075

>  <COMPOUND_NUMBER> (269)
WAY-354707-A

>  <LOCATION_CODE> (269)
PTNCS

>  <AMOUNT_CURRENT> (269)
32.1

$$$$
WAY-345754
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  5  2  0  0  0  0
 12  2  1  0  0  0  0
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 14  8  2  0  0  0  0
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 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (270)
270

>  <Formula> (270)
C10H8N2O3S

>  <MolWeight> (270)
236.24712

>  <PCAT_CMPD_ID> (270)
WAY-345754

>  <CNC_ID> (270)
359442508

>  <transfer_container_id> (270)
PTN000000076

>  <COMPOUND_NUMBER> (270)
WAY-345754

>  <LOCATION_CODE> (270)
PTNCS

>  <AMOUNT_CURRENT> (270)
32.4

$$$$
WAY-357947
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (271)
271

>  <Formula> (271)
C24H24N2O

>  <MolWeight> (271)
356.46016

>  <PCAT_CMPD_ID> (271)
WAY-357947

>  <CNC_ID> (271)
359445688

>  <transfer_container_id> (271)
PTN000000076

>  <COMPOUND_NUMBER> (271)
WAY-357947

>  <LOCATION_CODE> (271)
PTNCS

>  <AMOUNT_CURRENT> (271)
32.9

$$$$
WAY-357978
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (272)
272

>  <Formula> (272)
C13H7ClF3NO2

>  <MolWeight> (272)
301.6483896

>  <PCAT_CMPD_ID> (272)
WAY-357978

>  <CNC_ID> (272)
359445718

>  <transfer_container_id> (272)
PTN000000076

>  <COMPOUND_NUMBER> (272)
WAY-357978

>  <LOCATION_CODE> (272)
PTNCS

>  <AMOUNT_CURRENT> (272)
32.4

$$$$
WAY-358120
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (273)
273

>  <Formula> (273)
C14H11ClN2O

>  <MolWeight> (273)
258.70294

>  <PCAT_CMPD_ID> (273)
WAY-358120

>  <CNC_ID> (273)
359445856

>  <transfer_container_id> (273)
PTN000000076

>  <COMPOUND_NUMBER> (273)
WAY-358120

>  <LOCATION_CODE> (273)
PTNCS

>  <AMOUNT_CURRENT> (273)
33

$$$$
WAY-358132-A
csChFnd80/10101909502D

 18 21  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C15H14N2S

>  <MolWeight> (274)
254.35006

>  <PCAT_CMPD_ID> (274)
WAY-358132-A

>  <CNC_ID> (274)
359445868

>  <transfer_container_id> (274)
PTN000000076

>  <COMPOUND_NUMBER> (274)
WAY-358132-A

>  <LOCATION_CODE> (274)
PTNCS

>  <AMOUNT_CURRENT> (274)
32.5

$$$$
WAY-358785
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  0  0  0  0
M  END
>  <Mol_ID> (275)
275

>  <Formula> (275)
C12H19NO2

>  <MolWeight> (275)
209.28476

>  <PCAT_CMPD_ID> (275)
WAY-358785

>  <CNC_ID> (275)
359446489

>  <transfer_container_id> (275)
PTN000000076

>  <COMPOUND_NUMBER> (275)
WAY-358785

>  <LOCATION_CODE> (275)
PTNCS

>  <AMOUNT_CURRENT> (275)
32.6

$$$$
WAY-358838
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (276)
276

>  <Formula> (276)
C8H6N4O2

>  <MolWeight> (276)
190.15884

>  <PCAT_CMPD_ID> (276)
WAY-358838

>  <CNC_ID> (276)
359446540

>  <transfer_container_id> (276)
PTN000000076

>  <COMPOUND_NUMBER> (276)
WAY-358838

>  <LOCATION_CODE> (276)
PTNCS

>  <AMOUNT_CURRENT> (276)
32.9

$$$$
WAY-358854
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C15H15N3O4

>  <MolWeight> (277)
301.2973

>  <PCAT_CMPD_ID> (277)
WAY-358854

>  <CNC_ID> (277)
359446556

>  <transfer_container_id> (277)
PTN000000076

>  <COMPOUND_NUMBER> (277)
WAY-358854

>  <LOCATION_CODE> (277)
PTNCS

>  <AMOUNT_CURRENT> (277)
32.4

$$$$
WAY-311473
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
  7  8  1  0  0  0  0
 10 14  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (278)
278

>  <Formula> (278)
C15H19NOS

>  <MolWeight> (278)
261.38246

>  <PCAT_CMPD_ID> (278)
WAY-311473

>  <CNC_ID> (278)
359315214

>  <transfer_container_id> (278)
PTN000000065

>  <COMPOUND_NUMBER> (278)
WAY-311473

>  <LOCATION_CODE> (278)
PTNCS

>  <AMOUNT_CURRENT> (278)
33.7

$$$$
WAY-227647
csChFnd80/10101909502D

 26 32  0  0  0  0  0  0  0  0999 V2000
    6.1873    4.1110    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  8  2  0  0  0  0
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  8  1  1  0  0  0  0
  9 14  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16  1  1  0  0  0  0
 17  6  1  0  0  0  0
 18 16  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
 21  5  2  0  0  0  0
 22 12  2  0  0  0  0
 23 19  2  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 18 10  1  0  0  0  0
  2  6  1  0  0  0  0
  9  4  1  0  0  0  0
 12 15  1  0  0  0  0
 25 17  2  0  0  0  0
 13  5  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C21H23N3O2

>  <MolWeight> (279)
349.42622

>  <PCAT_CMPD_ID> (279)
WAY-227647

>  <CNC_ID> (279)
359313870

>  <transfer_container_id> (279)
PTN000000065

>  <COMPOUND_NUMBER> (279)
WAY-227647

>  <LOCATION_CODE> (279)
PTNCS

>  <AMOUNT_CURRENT> (279)
33.1

$$$$
WAY-312490
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.2828   -1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7483    0.1724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  6  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C11H16N4O2S2

>  <MolWeight> (280)
300.40034

>  <PCAT_CMPD_ID> (280)
WAY-312490

>  <CNC_ID> (280)
359316230

>  <transfer_container_id> (280)
PTN000000065

>  <COMPOUND_NUMBER> (280)
WAY-312490

>  <LOCATION_CODE> (280)
PTNCS

>  <AMOUNT_CURRENT> (280)
33.3

$$$$
WAY-344278
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.3125   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6917   -5.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8375   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9750   -3.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  1  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 24  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  2  0  0  0  0
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 18 11  2  0  0  0  0
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 20 14  2  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23  8  1  0  0  0  0
 24 15  1  0  0  0  0
 25  3  1  0  0  0  0
 26 14  1  0  0  0  0
  2  5  2  0  0  0  0
  9 10  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (281)
281

>  <Formula> (281)
C16H11F3N2O3S2

>  <MolWeight> (281)
400.3953496

>  <PCAT_CMPD_ID> (281)
WAY-344278

>  <CNC_ID> (281)
359319616

>  <transfer_container_id> (281)
PTN000000065

>  <COMPOUND_NUMBER> (281)
WAY-344278

>  <LOCATION_CODE> (281)
PTNCS

>  <AMOUNT_CURRENT> (281)
32.1

$$$$
WAY-643870
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.6333   -2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -2.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6958   -1.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
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  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15 18  1  0  0  0  0
 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 10  1  0  0  0  0
  6  5  2  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (282)
282

>  <Formula> (282)
C15H17NO3

>  <MolWeight> (282)
259.30038

>  <PCAT_CMPD_ID> (282)
WAY-643870

>  <CNC_ID> (282)
359325609

>  <transfer_container_id> (282)
PTN000000065

>  <COMPOUND_NUMBER> (282)
WAY-643870

>  <LOCATION_CODE> (282)
PTNCS

>  <AMOUNT_CURRENT> (282)
32.1

$$$$
WAY-663351
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
   -0.3625    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0583   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  2  0  0  0  0
 10  4  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
  9  5  1  0  0  0  0
 14  7  1  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (283)
283

>  <Formula> (283)
C11H11NS2

>  <MolWeight> (283)
221.34174

>  <PCAT_CMPD_ID> (283)
WAY-663351

>  <CNC_ID> (283)
359326254

>  <transfer_container_id> (283)
PTN000000065

>  <COMPOUND_NUMBER> (283)
WAY-663351

>  <LOCATION_CODE> (283)
PTNCS

>  <AMOUNT_CURRENT> (283)
32.5

$$$$
WAY-623984
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 17  1  0  0  0  0
 14  3  1  0  0  0  0
 15  6  2  0  0  0  0
 16  5  1  0  0  0  0
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 18  6  1  0  0  0  0
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 20  9  1  0  0  0  0
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 14 16  2  0  0  0  0
 13  9  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (284)
284

>  <Formula> (284)
C16H14N2O4

>  <MolWeight> (284)
298.29336

>  <PCAT_CMPD_ID> (284)
WAY-623984

>  <CNC_ID> (284)
359322604

>  <transfer_container_id> (284)
PTN000000065

>  <COMPOUND_NUMBER> (284)
WAY-623984

>  <LOCATION_CODE> (284)
PTNCS

>  <AMOUNT_CURRENT> (284)
32.5

$$$$
WAY-642946
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  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  4  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13 14  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  2  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
  2  5  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (285)
285

>  <Formula> (285)
C12H11FN2O4

>  <MolWeight> (285)
266.2251432

>  <PCAT_CMPD_ID> (285)
WAY-642946

>  <CNC_ID> (285)
359324684

>  <transfer_container_id> (285)
PTN000000065

>  <COMPOUND_NUMBER> (285)
WAY-642946

>  <LOCATION_CODE> (285)
PTNCS

>  <AMOUNT_CURRENT> (285)
32.9

$$$$
WAY-663393
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14  2  2  0  0  0  0
 15 17  2  0  0  0  0
 16 11  2  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  9  3  2  0  0  0  0
 15  8  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (286)
286

>  <Formula> (286)
C16H11N3O4

>  <MolWeight> (286)
309.27624

>  <PCAT_CMPD_ID> (286)
WAY-663393

>  <CNC_ID> (286)
359326296

>  <transfer_container_id> (286)
PTN000000065

>  <COMPOUND_NUMBER> (286)
WAY-663393

>  <LOCATION_CODE> (286)
PTNCS

>  <AMOUNT_CURRENT> (286)
32.5

$$$$
WAY-662982
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2917    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
  4  6  2  0  0  0  0
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  6  2  1  0  0  0  0
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  8 11  1  0  0  0  0
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 10  9  1  0  0  0  0
 11 13  2  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17  3  1  0  0  0  0
 18  9  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
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 25 21  1  0  0  0  0
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  8  5  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (287)
287

>  <Formula> (287)
C22H21NO4

>  <MolWeight> (287)
363.40644

>  <PCAT_CMPD_ID> (287)
WAY-662982

>  <CNC_ID> (287)
359325885

>  <transfer_container_id> (287)
PTN000000065

>  <COMPOUND_NUMBER> (287)
WAY-662982

>  <LOCATION_CODE> (287)
PTNCS

>  <AMOUNT_CURRENT> (287)
32.3

$$$$
WAY-624686
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  2  0  0  0  0
 13 11  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  2  0  0  0  0
 16  8  2  0  0  0  0
 17 12  1  0  0  0  0
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 20  9  1  0  0  0  0
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  3  4  1  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C16H14O6

>  <MolWeight> (288)
302.27876

>  <PCAT_CMPD_ID> (288)
WAY-624686

>  <CNC_ID> (288)
359323107

>  <transfer_container_id> (288)
PTN000000065

>  <COMPOUND_NUMBER> (288)
WAY-624686

>  <LOCATION_CODE> (288)
PTNCS

>  <AMOUNT_CURRENT> (288)
32.8

$$$$
WAY-663290
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  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
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 18 15  2  0  0  0  0
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M  END
>  <Mol_ID> (289)
289

>  <Formula> (289)
C13H11N3O2

>  <MolWeight> (289)
241.24534

>  <PCAT_CMPD_ID> (289)
WAY-663290

>  <CNC_ID> (289)
359326193

>  <transfer_container_id> (289)
PTN000000065

>  <COMPOUND_NUMBER> (289)
WAY-663290

>  <LOCATION_CODE> (289)
PTNCS

>  <AMOUNT_CURRENT> (289)
32.7

$$$$
WAY-623590
csChFnd80/10101909502D

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 11 12  1  0  0  0  0
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 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
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 17  6  1  0  0  0  0
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 21  9  1  0  0  0  0
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  5  3  1  0  0  0  0
 23 21  2  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (290)
290

>  <Formula> (290)
C19H19N3S

>  <MolWeight> (290)
321.43926

>  <PCAT_CMPD_ID> (290)
WAY-623590

>  <CNC_ID> (290)
359322210

>  <transfer_container_id> (290)
PTN000000065

>  <COMPOUND_NUMBER> (290)
WAY-623590

>  <LOCATION_CODE> (290)
PTNCS

>  <AMOUNT_CURRENT> (290)
32.6

$$$$
WAY-663250
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12 13  1  0  0  0  0
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 14  3  2  0  0  0  0
 15  3  2  0  0  0  0
 16  9  2  0  0  0  0
 17 10  2  0  0  0  0
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 23  5  1  0  0  0  0
 24  6  1  0  0  0  0
 25  7  1  0  0  0  0
 26  8  1  0  0  0  0
 27 23  2  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 30 25  2  0  0  0  0
  8  7  2  0  0  0  0
 28 24  2  0  0  0  0
 29 30  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C22H16ClNO4S2

>  <MolWeight> (291)
457.94974

>  <PCAT_CMPD_ID> (291)
WAY-663250

>  <CNC_ID> (291)
359326153

>  <transfer_container_id> (291)
PTN000000065

>  <COMPOUND_NUMBER> (291)
WAY-663250

>  <LOCATION_CODE> (291)
PTNCS

>  <AMOUNT_CURRENT> (291)
32.5

$$$$
WAY-663047
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C17H20N6O2S

>  <MolWeight> (292)
372.4447

>  <PCAT_CMPD_ID> (292)
WAY-663047

>  <CNC_ID> (292)
359325950

>  <transfer_container_id> (292)
PTN000000065

>  <COMPOUND_NUMBER> (292)
WAY-663047

>  <LOCATION_CODE> (292)
PTNCS

>  <AMOUNT_CURRENT> (292)
32.7

$$$$
WAY-642742
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C22H28N2O2

>  <MolWeight> (293)
352.46992

>  <PCAT_CMPD_ID> (293)
WAY-642742

>  <CNC_ID> (293)
359324480

>  <transfer_container_id> (293)
PTN000000065

>  <COMPOUND_NUMBER> (293)
WAY-642742

>  <LOCATION_CODE> (293)
PTNCS

>  <AMOUNT_CURRENT> (293)
32.1

$$$$
WAY-616243
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15  7  2  0  0  0  0
 16 10  1  0  0  0  0
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  8  4  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C9H7NO7

>  <MolWeight> (294)
241.15438

>  <PCAT_CMPD_ID> (294)
WAY-616243

>  <CNC_ID> (294)
359321328

>  <transfer_container_id> (294)
PTN000000065

>  <COMPOUND_NUMBER> (294)
WAY-616243

>  <LOCATION_CODE> (294)
PTNCS

>  <AMOUNT_CURRENT> (294)
32.3

$$$$
WAY-663368
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  6  1  1  0  0  0  0
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 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15 13  1  0  0  0  0
 16  9  2  0  0  0  0
 17  5  1  0  0  0  0
 18  7  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 17  2  0  0  0  0
 23 18  2  0  0  0  0
  7  5  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C16H18N2O5

>  <MolWeight> (295)
318.32452

>  <PCAT_CMPD_ID> (295)
WAY-663368

>  <CNC_ID> (295)
359326271

>  <transfer_container_id> (295)
PTN000000065

>  <COMPOUND_NUMBER> (295)
WAY-663368

>  <LOCATION_CODE> (295)
PTNCS

>  <AMOUNT_CURRENT> (295)
32.6

$$$$
WAY-616056
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  5  1  0  0  0  0
 15 17  1  0  0  0  0
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 18 15  1  0  0  0  0
  8  7  2  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C14H12ClNO2

>  <MolWeight> (296)
261.70358

>  <PCAT_CMPD_ID> (296)
WAY-616056

>  <CNC_ID> (296)
359321141

>  <transfer_container_id> (296)
PTN000000065

>  <COMPOUND_NUMBER> (296)
WAY-616056

>  <LOCATION_CODE> (296)
PTNCS

>  <AMOUNT_CURRENT> (296)
32.8

$$$$
WAY-624920-A
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  1  2  0  0  0  0
 12 10  2  0  0  0  0
 13  7  2  0  0  0  0
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 15  6  1  0  0  0  0
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 18 17  1  0  0  0  0
  5  4  1  0  0  0  0
  9  8  2  0  0  0  0
M  END
>  <Mol_ID> (297)
297

>  <Formula> (297)
C12H13N3O3

>  <MolWeight> (297)
247.24992

>  <PCAT_CMPD_ID> (297)
WAY-624920-A

>  <CNC_ID> (297)
359323341

>  <transfer_container_id> (297)
PTN000000065

>  <COMPOUND_NUMBER> (297)
WAY-624920-A

>  <LOCATION_CODE> (297)
PTNCS

>  <AMOUNT_CURRENT> (297)
32.2

$$$$
WAY-642741
csChFnd80/10101909502D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  2  0  0  0  0
 16  3  1  0  0  0  0
 17  3  2  0  0  0  0
 18  5  1  0  0  0  0
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 20 21  2  0  0  0  0
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 25 13  1  0  0  0  0
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 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (298)
298

>  <Formula> (298)
C20H31N3O3

>  <MolWeight> (298)
361.47844

>  <PCAT_CMPD_ID> (298)
WAY-642741

>  <CNC_ID> (298)
359324479

>  <transfer_container_id> (298)
PTN000000065

>  <COMPOUND_NUMBER> (298)
WAY-642741

>  <LOCATION_CODE> (298)
PTNCS

>  <AMOUNT_CURRENT> (298)
33

$$$$
WAY-642611
csChFnd80/10101909502D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 16  6  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
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 20  5  1  0  0  0  0
 21  9  1  0  0  0  0
 22 11  1  0  0  0  0
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M  END
>  <Mol_ID> (299)
299

>  <Formula> (299)
C19H20ClFN2O3

>  <MolWeight> (299)
378.8251032

>  <PCAT_CMPD_ID> (299)
WAY-642611

>  <CNC_ID> (299)
359324349

>  <transfer_container_id> (299)
PTN000000065

>  <COMPOUND_NUMBER> (299)
WAY-642611

>  <LOCATION_CODE> (299)
PTNCS

>  <AMOUNT_CURRENT> (299)
32.7

$$$$
WAY-642649
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0  0  0  0
 10 19  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  2  2  0  0  0  0
 15  7  2  0  0  0  0
 16  6  1  0  0  0  0
 17 16  1  0  0  0  0
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M  END
>  <Mol_ID> (300)
300

>  <Formula> (300)
C17H17ClN4O3S

>  <MolWeight> (300)
392.85988

>  <PCAT_CMPD_ID> (300)
WAY-642649

>  <CNC_ID> (300)
359324387

>  <transfer_container_id> (300)
PTN000000065

>  <COMPOUND_NUMBER> (300)
WAY-642649

>  <LOCATION_CODE> (300)
PTNCS

>  <AMOUNT_CURRENT> (300)
32.5

$$$$
WAY-663582
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
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 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16 14  1  0  0  0  0
 17 21  2  0  0  0  0
 18 16  1  0  0  0  0
 19 16  2  0  0  0  0
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 23 22  1  0  0  0  0
  5  4  1  0  0  0  0
 10  6  2  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (301)
301

>  <Formula> (301)
C16H15N3O4

>  <MolWeight> (301)
313.308

>  <PCAT_CMPD_ID> (301)
WAY-663582

>  <CNC_ID> (301)
359326485

>  <transfer_container_id> (301)
PTN000000065

>  <COMPOUND_NUMBER> (301)
WAY-663582

>  <LOCATION_CODE> (301)
PTNCS

>  <AMOUNT_CURRENT> (301)
32.2

$$$$
WAY-623842
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11 24  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 19  1  0  0  0  0
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 18  7  1  0  0  0  0
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 21  2  1  0  0  0  0
 22 14  1  0  0  0  0
 23  6  1  0  0  0  0
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  3  6  1  0  0  0  0
 16  8  2  0  0  0  0
M  END
>  <Mol_ID> (302)
302

>  <Formula> (302)
C17H17Cl2NO4

>  <MolWeight> (302)
370.22718

>  <PCAT_CMPD_ID> (302)
WAY-623842

>  <CNC_ID> (302)
359322462

>  <transfer_container_id> (302)
PTN000000065

>  <COMPOUND_NUMBER> (302)
WAY-623842

>  <LOCATION_CODE> (302)
PTNCS

>  <AMOUNT_CURRENT> (302)
32.2

$$$$
WAY-663595
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  5  1  0  0  0  0
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 13  9  2  0  0  0  0
 14 17  2  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
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 22 25  1  0  0  0  0
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 25 21  2  0  0  0  0
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M  END
>  <Mol_ID> (303)
303

>  <Formula> (303)
C22H20N2O

>  <MolWeight> (303)
328.407

>  <PCAT_CMPD_ID> (303)
WAY-663595

>  <CNC_ID> (303)
359326498

>  <transfer_container_id> (303)
PTN000000065

>  <COMPOUND_NUMBER> (303)
WAY-663595

>  <LOCATION_CODE> (303)
PTNCS

>  <AMOUNT_CURRENT> (303)
32.1

$$$$
WAY-663746
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 13  8  2  0  0  0  0
M  END
>  <Mol_ID> (304)
304

>  <Formula> (304)
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>  <MolWeight> (304)
327.1059232

>  <PCAT_CMPD_ID> (304)
WAY-663746

>  <CNC_ID> (304)
359326650

>  <transfer_container_id> (304)
PTN000000065

>  <COMPOUND_NUMBER> (304)
WAY-663746

>  <LOCATION_CODE> (304)
PTNCS

>  <AMOUNT_CURRENT> (304)
32.1

$$$$
WAY-642802
csChFnd80/10101909502D

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 10 14  1  0  0  0  0
 11  1  2  0  0  0  0
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 16  4  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
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 21  9  1  0  0  0  0
 22  9  1  0  0  0  0
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M  END
>  <Mol_ID> (305)
305

>  <Formula> (305)
C18H19N3O2S2

>  <MolWeight> (305)
373.49236

>  <PCAT_CMPD_ID> (305)
WAY-642802

>  <CNC_ID> (305)
359324540

>  <transfer_container_id> (305)
PTN000000065

>  <COMPOUND_NUMBER> (305)
WAY-642802

>  <LOCATION_CODE> (305)
PTNCS

>  <AMOUNT_CURRENT> (305)
32.5

$$$$
WAY-643713
csChFnd80/10101909502D

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 11  3  2  0  0  0  0
 12  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16  9  2  0  0  0  0
 17  7  1  0  0  0  0
 18 17  2  0  0  0  0
 19  7  1  0  0  0  0
 20  9  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 11 18  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C15H18N2O4S2

>  <MolWeight> (306)
354.44442

>  <PCAT_CMPD_ID> (306)
WAY-643713

>  <CNC_ID> (306)
359325451

>  <transfer_container_id> (306)
PTN000000065

>  <COMPOUND_NUMBER> (306)
WAY-643713

>  <LOCATION_CODE> (306)
PTNCS

>  <AMOUNT_CURRENT> (306)
32.7

$$$$
WAY-644792
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  6  2  0  0  0  0
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 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
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 23 22  1  0  0  0  0
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 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (307)
307

>  <Formula> (307)
C21H19N3O2S

>  <MolWeight> (307)
377.45946

>  <PCAT_CMPD_ID> (307)
WAY-644792

>  <CNC_ID> (307)
359337464

>  <transfer_container_id> (307)
PTN000000067

>  <COMPOUND_NUMBER> (307)
WAY-644792

>  <LOCATION_CODE> (307)
PTNCS

>  <AMOUNT_CURRENT> (307)
32.6

$$$$
WAY-644864
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 11  4  1  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15 14  1  0  0  0  0
 16  5  1  0  0  0  0
 17  5  2  0  0  0  0
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 20  3  1  0  0  0  0
 21  3  1  0  0  0  0
 22  4  1  0  0  0  0
 18 10  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C14H13F2NO3S2

>  <MolWeight> (308)
345.3847264

>  <PCAT_CMPD_ID> (308)
WAY-644864

>  <CNC_ID> (308)
359337536

>  <transfer_container_id> (308)
PTN000000067

>  <COMPOUND_NUMBER> (308)
WAY-644864

>  <LOCATION_CODE> (308)
PTNCS

>  <AMOUNT_CURRENT> (308)
32.2

$$$$
WAY-645064
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C21H22Cl2N4O2

>  <MolWeight> (309)
433.33098

>  <PCAT_CMPD_ID> (309)
WAY-645064

>  <CNC_ID> (309)
359337736

>  <transfer_container_id> (309)
PTN000000067

>  <COMPOUND_NUMBER> (309)
WAY-645064

>  <LOCATION_CODE> (309)
PTNCS

>  <AMOUNT_CURRENT> (309)
32.7

$$$$
WAY-646332
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 16  6  1  0  0  0  0
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M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C18H19NO2S

>  <MolWeight> (310)
313.41396

>  <PCAT_CMPD_ID> (310)
WAY-646332

>  <CNC_ID> (310)
359339005

>  <transfer_container_id> (310)
PTN000000067

>  <COMPOUND_NUMBER> (310)
WAY-646332

>  <LOCATION_CODE> (310)
PTNCS

>  <AMOUNT_CURRENT> (310)
32.1

$$$$
WAY-627890
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C28H25N5O3

>  <MolWeight> (311)
479.5298

>  <PCAT_CMPD_ID> (311)
WAY-627890

>  <CNC_ID> (311)
359349040

>  <transfer_container_id> (311)
PTN000000068

>  <COMPOUND_NUMBER> (311)
WAY-627890

>  <LOCATION_CODE> (311)
PTNCS

>  <AMOUNT_CURRENT> (311)
33

$$$$
WAY-627942
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C15H15NO

>  <MolWeight> (312)
225.2857

>  <PCAT_CMPD_ID> (312)
WAY-627942

>  <CNC_ID> (312)
359349092

>  <transfer_container_id> (312)
PTN000000068

>  <COMPOUND_NUMBER> (312)
WAY-627942

>  <LOCATION_CODE> (312)
PTNCS

>  <AMOUNT_CURRENT> (312)
33

$$$$
WAY-627957
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C13H13NO3S

>  <MolWeight> (313)
263.31222

>  <PCAT_CMPD_ID> (313)
WAY-627957

>  <CNC_ID> (313)
359349107

>  <transfer_container_id> (313)
PTN000000068

>  <COMPOUND_NUMBER> (313)
WAY-627957

>  <LOCATION_CODE> (313)
PTNCS

>  <AMOUNT_CURRENT> (313)
32.4

$$$$
WAY-627969
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C13H17N3S

>  <MolWeight> (314)
247.35918

>  <PCAT_CMPD_ID> (314)
WAY-627969

>  <CNC_ID> (314)
359349119

>  <transfer_container_id> (314)
PTN000000068

>  <COMPOUND_NUMBER> (314)
WAY-627969

>  <LOCATION_CODE> (314)
PTNCS

>  <AMOUNT_CURRENT> (314)
32.5

$$$$
WAY-628082
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C21H20Cl2N2O3

>  <MolWeight> (315)
419.3011

>  <PCAT_CMPD_ID> (315)
WAY-628082

>  <CNC_ID> (315)
359349232

>  <transfer_container_id> (315)
PTN000000068

>  <COMPOUND_NUMBER> (315)
WAY-628082

>  <LOCATION_CODE> (315)
PTNCS

>  <AMOUNT_CURRENT> (315)
32.3

$$$$
WAY-628165
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
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 13 10  2  0  0  0  0
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 16  4  1  0  0  0  0
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 18  3  1  0  0  0  0
 19  9  1  0  0  0  0
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M  END
>  <Mol_ID> (316)
316

>  <Formula> (316)
C17H15NO3S

>  <MolWeight> (316)
313.3709

>  <PCAT_CMPD_ID> (316)
WAY-628165

>  <CNC_ID> (316)
359349315

>  <transfer_container_id> (316)
PTN000000068

>  <COMPOUND_NUMBER> (316)
WAY-628165

>  <LOCATION_CODE> (316)
PTNCS

>  <AMOUNT_CURRENT> (316)
32.1

$$$$
WAY-628223
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
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 13 11  1  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C13H21NO3

>  <MolWeight> (317)
239.31074

>  <PCAT_CMPD_ID> (317)
WAY-628223

>  <CNC_ID> (317)
359349373

>  <transfer_container_id> (317)
PTN000000068

>  <COMPOUND_NUMBER> (317)
WAY-628223

>  <LOCATION_CODE> (317)
PTNCS

>  <AMOUNT_CURRENT> (317)
32.7

$$$$
WAY-628235
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C20H16N2O2

>  <MolWeight> (318)
316.35324

>  <PCAT_CMPD_ID> (318)
WAY-628235

>  <CNC_ID> (318)
359349385

>  <transfer_container_id> (318)
PTN000000068

>  <COMPOUND_NUMBER> (318)
WAY-628235

>  <LOCATION_CODE> (318)
PTNCS

>  <AMOUNT_CURRENT> (318)
32.4

$$$$
WAY-613508
csChFnd80/10101909502D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C23H16N2O3

>  <MolWeight> (319)
368.38474

>  <PCAT_CMPD_ID> (319)
WAY-613508

>  <CNC_ID> (319)
359361531

>  <transfer_container_id> (319)
PTN000000069

>  <COMPOUND_NUMBER> (319)
WAY-613508

>  <LOCATION_CODE> (319)
PTNCS

>  <AMOUNT_CURRENT> (319)
32

$$$$
WAY-614751
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 15  5  2  0  0  0  0
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M  END
>  <Mol_ID> (320)
320

>  <Formula> (320)
C20H27N3O4S

>  <MolWeight> (320)
405.51108

>  <PCAT_CMPD_ID> (320)
WAY-614751

>  <CNC_ID> (320)
359362774

>  <transfer_container_id> (320)
PTN000000069

>  <COMPOUND_NUMBER> (320)
WAY-614751

>  <LOCATION_CODE> (320)
PTNCS

>  <AMOUNT_CURRENT> (320)
32.2

$$$$
WAY-614816
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 13  8  1  0  0  0  0
 14  5  2  0  0  0  0
 15 12  1  0  0  0  0
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 18  7  2  0  0  0  0
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 23  9  1  0  0  0  0
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 29 23  1  0  0  0  0
 30 24  2  0  0  0  0
 31 30  1  0  0  0  0
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 12  9  2  0  0  0  0
 31 28  2  0  0  0  0
M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C24H24ClNO4S

>  <MolWeight> (321)
457.96966

>  <PCAT_CMPD_ID> (321)
WAY-614816

>  <CNC_ID> (321)
359362839

>  <transfer_container_id> (321)
PTN000000069

>  <COMPOUND_NUMBER> (321)
WAY-614816

>  <LOCATION_CODE> (321)
PTNCS

>  <AMOUNT_CURRENT> (321)
32.9

$$$$
WAY-630627
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
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 15  7  2  0  0  0  0
 16 18  1  0  0  0  0
 17  6  1  0  0  0  0
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M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
C19H18Cl2N2O4S

>  <MolWeight> (322)
441.32822

>  <PCAT_CMPD_ID> (322)
WAY-630627

>  <CNC_ID> (322)
359363146

>  <transfer_container_id> (322)
PTN000000069

>  <COMPOUND_NUMBER> (322)
WAY-630627

>  <LOCATION_CODE> (322)
PTNCS

>  <AMOUNT_CURRENT> (322)
32.3

$$$$
WAY-630753
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (323)
323

>  <Formula> (323)
C20H18ClN3O2S

>  <MolWeight> (323)
399.89382

>  <PCAT_CMPD_ID> (323)
WAY-630753

>  <CNC_ID> (323)
359363272

>  <transfer_container_id> (323)
PTN000000069

>  <COMPOUND_NUMBER> (323)
WAY-630753

>  <LOCATION_CODE> (323)
PTNCS

>  <AMOUNT_CURRENT> (323)
32.3

$$$$
WAY-630931
csChFnd80/10101909502D

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  2  1  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12 18  1  0  0  0  0
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 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16  3  2  0  0  0  0
 17  3  2  0  0  0  0
 18 15  1  0  0  0  0
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 20 11  1  0  0  0  0
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 25 14  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
 19  9  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (324)
324

>  <Formula> (324)
C17H21N5O4S2

>  <MolWeight> (324)
423.50974

>  <PCAT_CMPD_ID> (324)
WAY-630931

>  <CNC_ID> (324)
359363450

>  <transfer_container_id> (324)
PTN000000069

>  <COMPOUND_NUMBER> (324)
WAY-630931

>  <LOCATION_CODE> (324)
PTNCS

>  <AMOUNT_CURRENT> (324)
32.3

$$$$
WAY-630984
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.4542   -0.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
  4  5  1  0  0  0  0
 14 16  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C13H8ClNOS

>  <MolWeight> (325)
261.72672

>  <PCAT_CMPD_ID> (325)
WAY-630984

>  <CNC_ID> (325)
359363503

>  <transfer_container_id> (325)
PTN000000069

>  <COMPOUND_NUMBER> (325)
WAY-630984

>  <LOCATION_CODE> (325)
PTNCS

>  <AMOUNT_CURRENT> (325)
32.6

$$$$
WAY-631480
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 16  2  0  0  0  0
 24 20  2  0  0  0  0
 25 22  2  0  0  0  0
  7  5  1  0  0  0  0
 25 21  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C19H18N2O3S

>  <MolWeight> (326)
354.42282

>  <PCAT_CMPD_ID> (326)
WAY-631480

>  <CNC_ID> (326)
359364000

>  <transfer_container_id> (326)
PTN000000069

>  <COMPOUND_NUMBER> (326)
WAY-631480

>  <LOCATION_CODE> (326)
PTNCS

>  <AMOUNT_CURRENT> (326)
32.9

$$$$
WAY-650513
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 15  2  0  0  0  0
 23 19  2  0  0  0  0
 24 21  2  0  0  0  0
  8  6  2  0  0  0  0
 24 20  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C18H14BrN3OS

>  <MolWeight> (327)
400.29226

>  <PCAT_CMPD_ID> (327)
WAY-650513

>  <CNC_ID> (327)
359366220

>  <transfer_container_id> (327)
PTN000000069

>  <COMPOUND_NUMBER> (327)
WAY-650513

>  <LOCATION_CODE> (327)
PTNCS

>  <AMOUNT_CURRENT> (327)
32.9

$$$$
WAY-650830
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  4  1  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  2  0  0  0  0
 14  6  2  0  0  0  0
 15  5  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
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 20 17  2  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 19 22  2  0  0  0  0
 23 18  2  0  0  0  0
M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C15H10N6O2

>  <MolWeight> (328)
306.2789

>  <PCAT_CMPD_ID> (328)
WAY-650830

>  <CNC_ID> (328)
359366537

>  <transfer_container_id> (328)
PTN000000069

>  <COMPOUND_NUMBER> (328)
WAY-650830

>  <LOCATION_CODE> (328)
PTNCS

>  <AMOUNT_CURRENT> (328)
33

$$$$
WAY-651065
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    1.4667   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -2.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1125    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    3.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -3.6667    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  6  1  0  0  0  0
  6  3  2  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16  7  2  0  0  0  0
 17  5  1  0  0  0  0
 18  4  1  0  0  0  0
 19 14  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  2  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 24  1  0  0  0  0
 28 25  2  0  0  0  0
  4  5  1  0  0  0  0
 13 15  2  0  0  0  0
 27 23  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C21H23N3O3S

>  <MolWeight> (329)
397.49062

>  <PCAT_CMPD_ID> (329)
WAY-651065

>  <CNC_ID> (329)
359366772

>  <transfer_container_id> (329)
PTN000000069

>  <COMPOUND_NUMBER> (329)
WAY-651065

>  <LOCATION_CODE> (329)
PTNCS

>  <AMOUNT_CURRENT> (329)
32.9

$$$$
WAY-271025
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.9000   -0.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -0.3542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4167    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5542   -0.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -1.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6375    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0667   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375   -0.0542    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  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  2  0  0  0  0
 10 15  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 22  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  5  4  1  0  0  0  0
 10 16  2  0  0  0  0
 26 27  1  0  0  0  0
 21 17  1  0  0  0  0
M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C20H21N3O4

>  <MolWeight> (330)
367.39844

>  <PCAT_CMPD_ID> (330)
WAY-271025

>  <CNC_ID> (330)
359369854

>  <transfer_container_id> (330)
PTN000000070

>  <COMPOUND_NUMBER> (330)
WAY-271025

>  <LOCATION_CODE> (330)
PTNCS

>  <AMOUNT_CURRENT> (330)
32.5

$$$$
WAY-601373
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2000    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    1.3833    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -0.7833    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7833   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4167   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -2.2917    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  8  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  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  2  0  0  0  0
 14  1  1  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17  9  1  0  0  0  0
 18 19  1  0  0  0  0
 19 17  2  0  0  0  0
  6  5  2  0  0  0  0
 15  8  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C13H10N4O2

>  <MolWeight> (331)
254.2441

>  <PCAT_CMPD_ID> (331)
WAY-601373

>  <CNC_ID> (331)
359375101

>  <transfer_container_id> (331)
PTN000000070

>  <COMPOUND_NUMBER> (331)
WAY-601373

>  <LOCATION_CODE> (331)
PTNCS

>  <AMOUNT_CURRENT> (331)
32.9

$$$$
WAY-600660
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.3208    0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6375   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0417    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958   -1.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  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  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 14  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
 19  7  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 19  2  0  0  0  0
 23 22  1  0  0  0  0
  3  5  2  0  0  0  0
 23 20  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C19H19FN2O

>  <MolWeight> (332)
310.3653632

>  <PCAT_CMPD_ID> (332)
WAY-600660

>  <CNC_ID> (332)
359374379

>  <transfer_container_id> (332)
PTN000000070

>  <COMPOUND_NUMBER> (332)
WAY-600660

>  <LOCATION_CODE> (332)
PTNCS

>  <AMOUNT_CURRENT> (332)
32.4

$$$$
WAY-600700
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.8500   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458    1.0125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2042   -0.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4208    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3042   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2458    1.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5208   -1.6292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3750    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  2  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17  4  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
  4  6  1  0  0  0  0
  8  9  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C13H16F3N3

>  <MolWeight> (333)
271.2814496

>  <PCAT_CMPD_ID> (333)
WAY-600700

>  <CNC_ID> (333)
359374419

>  <transfer_container_id> (333)
PTN000000070

>  <COMPOUND_NUMBER> (333)
WAY-600700

>  <LOCATION_CODE> (333)
PTNCS

>  <AMOUNT_CURRENT> (333)
32.4

$$$$
WAY-600896
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.1316   -1.3064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9684    0.2936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9684    1.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 15  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  2  0  0  0  0
 17  4  1  0  0  0  0
  3  5  1  0  0  0  0
  9 10  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C13H10N2OS

>  <MolWeight> (334)
242.2963

>  <PCAT_CMPD_ID> (334)
WAY-600896

>  <CNC_ID> (334)
359374624

>  <transfer_container_id> (334)
PTN000000070

>  <COMPOUND_NUMBER> (334)
WAY-600896

>  <LOCATION_CODE> (334)
PTNCS

>  <AMOUNT_CURRENT> (334)
32.3

$$$$
WAY-600961
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8  5  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
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 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C10H11NO2

>  <MolWeight> (335)
177.19984

>  <PCAT_CMPD_ID> (335)
WAY-600961

>  <CNC_ID> (335)
359374689

>  <transfer_container_id> (335)
PTN000000070

>  <COMPOUND_NUMBER> (335)
WAY-600961

>  <LOCATION_CODE> (335)
PTNCS

>  <AMOUNT_CURRENT> (335)
32.7

$$$$
WAY-601061-A
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 21  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  2  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
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 23  6  1  0  0  0  0
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 14  6  1  0  0  0  0
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 15 22  2  0  0  0  0
M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C20H23F2N3OS

>  <MolWeight> (336)
391.4779264

>  <PCAT_CMPD_ID> (336)
WAY-601061

>  <CNC_ID> (336)
359374789

>  <transfer_container_id> (336)
PTN000000070

>  <COMPOUND_NUMBER> (336)
WAY-601061

>  <LOCATION_CODE> (336)
PTNCS

>  <AMOUNT_CURRENT> (336)
32.3

$$$$
WAY-601132
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
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 15  9  2  0  0  0  0
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 30 26  2  0  0  0  0
 31 25  2  0  0  0  0
 11 10  2  0  0  0  0
 30 31  1  0  0  0  0
 22 21  2  0  0  0  0
 27 19  2  0  0  0  0
M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C24H20N4O2S

>  <MolWeight> (337)
428.5062

>  <PCAT_CMPD_ID> (337)
WAY-601132

>  <CNC_ID> (337)
359374860

>  <transfer_container_id> (337)
PTN000000070

>  <COMPOUND_NUMBER> (337)
WAY-601132

>  <LOCATION_CODE> (337)
PTNCS

>  <AMOUNT_CURRENT> (337)
32.7

$$$$
WAY-601205
csChFnd80/10101909502D

 25 30  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
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 18  7  1  0  0  0  0
 19  6  1  0  0  0  0
 20  9  1  0  0  0  0
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M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C18H12N2O5

>  <MolWeight> (338)
336.29828

>  <PCAT_CMPD_ID> (338)
WAY-601205

>  <CNC_ID> (338)
359374933

>  <transfer_container_id> (338)
PTN000000070

>  <COMPOUND_NUMBER> (338)
WAY-601205

>  <LOCATION_CODE> (338)
PTNCS

>  <AMOUNT_CURRENT> (338)
32.6

$$$$
WAY-601211
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 18 14  2  0  0  0  0
 13 16  1  0  0  0  0
 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C12H11NO4S

>  <MolWeight> (339)
265.28504

>  <PCAT_CMPD_ID> (339)
WAY-601211

>  <CNC_ID> (339)
359374939

>  <transfer_container_id> (339)
PTN000000070

>  <COMPOUND_NUMBER> (339)
WAY-601211

>  <LOCATION_CODE> (339)
PTNCS

>  <AMOUNT_CURRENT> (339)
32.7

$$$$
WAY-615253
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.5083    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
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  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
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 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (340)
340

>  <Formula> (340)
C12H13NO2

>  <MolWeight> (340)
203.23712

>  <PCAT_CMPD_ID> (340)
WAY-615253

>  <CNC_ID> (340)
359375975

>  <transfer_container_id> (340)
PTN000000070

>  <COMPOUND_NUMBER> (340)
WAY-615253

>  <LOCATION_CODE> (340)
PTNCS

>  <AMOUNT_CURRENT> (340)
32.6

$$$$
WAY-615268
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  4  2  1  0  0  0  0
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  6  3  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
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 13 10  2  0  0  0  0
 14 11  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
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 23 14  1  0  0  0  0
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  4  6  2  0  0  0  0
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 25 23  2  0  0  0  0
 20 12  2  0  0  0  0
M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C18H12F3N3O

>  <MolWeight> (341)
343.3025896

>  <PCAT_CMPD_ID> (341)
WAY-615268

>  <CNC_ID> (341)
359375990

>  <transfer_container_id> (341)
PTN000000070

>  <COMPOUND_NUMBER> (341)
WAY-615268

>  <LOCATION_CODE> (341)
PTNCS

>  <AMOUNT_CURRENT> (341)
32.8

$$$$
WAY-615598
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  2  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
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 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 10 18  1  0  0  0  0
  5  2  2  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C14H13NO3S2

>  <MolWeight> (342)
307.38792

>  <PCAT_CMPD_ID> (342)
WAY-615598

>  <CNC_ID> (342)
359376320

>  <transfer_container_id> (342)
PTN000000070

>  <COMPOUND_NUMBER> (342)
WAY-615598

>  <LOCATION_CODE> (342)
PTNCS

>  <AMOUNT_CURRENT> (342)
32

$$$$
WAY-633736
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
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 15 14  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C13H11N3O2

>  <MolWeight> (343)
241.24534

>  <PCAT_CMPD_ID> (343)
WAY-633736

>  <CNC_ID> (343)
359377852

>  <transfer_container_id> (343)
PTN000000070

>  <COMPOUND_NUMBER> (343)
WAY-633736

>  <LOCATION_CODE> (343)
PTNCS

>  <AMOUNT_CURRENT> (343)
33

$$$$
WAY-633902
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
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 14  3  1  0  0  0  0
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 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
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 15  5  1  0  0  0  0
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M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C20H23NO2

>  <MolWeight> (344)
309.40212

>  <PCAT_CMPD_ID> (344)
WAY-633902

>  <CNC_ID> (344)
359378018

>  <transfer_container_id> (344)
PTN000000070

>  <COMPOUND_NUMBER> (344)
WAY-633902

>  <LOCATION_CODE> (344)
PTNCS

>  <AMOUNT_CURRENT> (344)
32.8

$$$$
WAY-634244
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C20H24ClN3O3S

>  <MolWeight> (345)
421.94086

>  <PCAT_CMPD_ID> (345)
WAY-634244

>  <CNC_ID> (345)
359378360

>  <transfer_container_id> (345)
PTN000000070

>  <COMPOUND_NUMBER> (345)
WAY-634244

>  <LOCATION_CODE> (345)
PTNCS

>  <AMOUNT_CURRENT> (345)
32.5

$$$$
WAY-652275
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 15 12  1  0  0  0  0
M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C11H14N6

>  <MolWeight> (346)
230.26906

>  <PCAT_CMPD_ID> (346)
WAY-652275

>  <CNC_ID> (346)
359379156

>  <transfer_container_id> (346)
PTN000000070

>  <COMPOUND_NUMBER> (346)
WAY-652275

>  <LOCATION_CODE> (346)
PTNCS

>  <AMOUNT_CURRENT> (346)
33

$$$$
WAY-652340
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
 12 14  2  0  0  0  0
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 16 14  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19  9  1  0  0  0  0
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  4  5  2  0  0  0  0
 21 20  1  0  0  0  0
 10  9  2  0  0  0  0
M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C16H12ClNO3

>  <MolWeight> (347)
301.72438

>  <PCAT_CMPD_ID> (347)
WAY-652340

>  <CNC_ID> (347)
359379221

>  <transfer_container_id> (347)
PTN000000070

>  <COMPOUND_NUMBER> (347)
WAY-652340

>  <LOCATION_CODE> (347)
PTNCS

>  <AMOUNT_CURRENT> (347)
32.5

$$$$
WAY-652518-A
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
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 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
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 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C14H13NS

>  <MolWeight> (348)
227.32472

>  <PCAT_CMPD_ID> (348)
WAY-652518

>  <CNC_ID> (348)
359379399

>  <transfer_container_id> (348)
PTN000000070

>  <COMPOUND_NUMBER> (348)
WAY-652518

>  <LOCATION_CODE> (348)
PTNCS

>  <AMOUNT_CURRENT> (348)
32.4

$$$$
WAY-652527
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
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 16  2  1  0  0  0  0
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 19  9  1  0  0  0  0
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  3  5  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C14H13ClN2O4

>  <MolWeight> (349)
308.71702

>  <PCAT_CMPD_ID> (349)
WAY-652527

>  <CNC_ID> (349)
359379408

>  <transfer_container_id> (349)
PTN000000070

>  <COMPOUND_NUMBER> (349)
WAY-652527

>  <LOCATION_CODE> (349)
PTNCS

>  <AMOUNT_CURRENT> (349)
32.8

$$$$
WAY-271907
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (350)
350

>  <Formula> (350)
C8H6BrN3S

>  <MolWeight> (350)
256.12234

>  <PCAT_CMPD_ID> (350)
WAY-271907

>  <CNC_ID> (350)
359381430

>  <transfer_container_id> (350)
PTN000000071

>  <COMPOUND_NUMBER> (350)
WAY-271907

>  <LOCATION_CODE> (350)
PTNCS

>  <AMOUNT_CURRENT> (350)
32.5

$$$$
WAY-271927
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C13H12O3S

>  <MolWeight> (351)
248.29758

>  <PCAT_CMPD_ID> (351)
WAY-271927

>  <CNC_ID> (351)
359381449

>  <transfer_container_id> (351)
PTN000000071

>  <COMPOUND_NUMBER> (351)
WAY-271927

>  <LOCATION_CODE> (351)
PTNCS

>  <AMOUNT_CURRENT> (351)
32.5

$$$$
WAY-271937
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 21 24  2  0  0  0  0
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M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C19H17BrN2O4S2

>  <MolWeight> (352)
481.38328

>  <PCAT_CMPD_ID> (352)
WAY-271937

>  <CNC_ID> (352)
359381459

>  <transfer_container_id> (352)
PTN000000071

>  <COMPOUND_NUMBER> (352)
WAY-271937

>  <LOCATION_CODE> (352)
PTNCS

>  <AMOUNT_CURRENT> (352)
32.5

$$$$
WAY-320014-A
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
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M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C21H22N2O

>  <MolWeight> (353)
318.41218

>  <PCAT_CMPD_ID> (353)
WAY-320014

>  <CNC_ID> (353)
359384342

>  <transfer_container_id> (353)
PTN000000071

>  <COMPOUND_NUMBER> (353)
WAY-320014

>  <LOCATION_CODE> (353)
PTNCS

>  <AMOUNT_CURRENT> (353)
32.5

$$$$
WAY-601921
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C15H9NO3

>  <MolWeight> (354)
251.23686

>  <PCAT_CMPD_ID> (354)
WAY-601921

>  <CNC_ID> (354)
359387869

>  <transfer_container_id> (354)
PTN000000071

>  <COMPOUND_NUMBER> (354)
WAY-601921

>  <LOCATION_CODE> (354)
PTNCS

>  <AMOUNT_CURRENT> (354)
32.9

$$$$
WAY-602460
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.0792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  2  0  0  0  0
 11 16  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
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 21  7  1  0  0  0  0
 22  8  1  0  0  0  0
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 26 21  2  0  0  0  0
 16 18  1  0  0  0  0
  8  7  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C16H18F2N2O4S2

>  <MolWeight> (355)
404.4519264

>  <PCAT_CMPD_ID> (355)
WAY-602460

>  <CNC_ID> (355)
359388408

>  <transfer_container_id> (355)
PTN000000071

>  <COMPOUND_NUMBER> (355)
WAY-602460

>  <LOCATION_CODE> (355)
PTNCS

>  <AMOUNT_CURRENT> (355)
32.8

$$$$
WAY-602066
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12 15  1  0  0  0  0
 13  3  2  0  0  0  0
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 18  5  1  0  0  0  0
 19 11  1  0  0  0  0
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  7  9  2  0  0  0  0
 12 10  2  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C15H9Cl2N3O

>  <MolWeight> (356)
318.15746

>  <PCAT_CMPD_ID> (356)
WAY-602066

>  <CNC_ID> (356)
359388014

>  <transfer_container_id> (356)
PTN000000071

>  <COMPOUND_NUMBER> (356)
WAY-602066

>  <LOCATION_CODE> (356)
PTNCS

>  <AMOUNT_CURRENT> (356)
32.3

$$$$
WAY-602110
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.2167    0.0083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
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M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C13H12F3N3OS

>  <MolWeight> (357)
315.3140896

>  <PCAT_CMPD_ID> (357)
WAY-602110

>  <CNC_ID> (357)
359388058

>  <transfer_container_id> (357)
PTN000000071

>  <COMPOUND_NUMBER> (357)
WAY-602110

>  <LOCATION_CODE> (357)
PTNCS

>  <AMOUNT_CURRENT> (357)
32.7

$$$$
WAY-603015-A
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  2  0  0  0  0
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 13 15  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C13H11N2+

>  <MolWeight> (358)
195.23984

>  <PCAT_CMPD_ID> (358)
WAY-603015

>  <CNC_ID> (358)
359388963

>  <transfer_container_id> (358)
PTN000000071

>  <COMPOUND_NUMBER> (358)
WAY-603015

>  <LOCATION_CODE> (358)
PTNCS

>  <AMOUNT_CURRENT> (358)
32.7

$$$$
WAY-603036
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C13H13NO2S2

>  <MolWeight> (359)
279.37782

>  <PCAT_CMPD_ID> (359)
WAY-603036

>  <CNC_ID> (359)
359388984

>  <transfer_container_id> (359)
PTN000000071

>  <COMPOUND_NUMBER> (359)
WAY-603036

>  <LOCATION_CODE> (359)
PTNCS

>  <AMOUNT_CURRENT> (359)
33

$$$$
WAY-603143
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 14  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
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 17  6  1  0  0  0  0
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 19  8  1  0  0  0  0
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 21 20  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C15H11N3O3

>  <MolWeight> (360)
281.26614

>  <PCAT_CMPD_ID> (360)
WAY-603143

>  <CNC_ID> (360)
359389091

>  <transfer_container_id> (360)
PTN000000071

>  <COMPOUND_NUMBER> (360)
WAY-603143

>  <LOCATION_CODE> (360)
PTNCS

>  <AMOUNT_CURRENT> (360)
32.1

$$$$
WAY-603399
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
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 14  5  2  0  0  0  0
 15 12  1  0  0  0  0
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 18 14  1  0  0  0  0
  5  4  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C12H10O5S

>  <MolWeight> (361)
266.2698

>  <PCAT_CMPD_ID> (361)
WAY-603399

>  <CNC_ID> (361)
359389347

>  <transfer_container_id> (361)
PTN000000071

>  <COMPOUND_NUMBER> (361)
WAY-603399

>  <LOCATION_CODE> (361)
PTNCS

>  <AMOUNT_CURRENT> (361)
32.1

$$$$
WAY-636481
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C18H19ClN4O2S

>  <MolWeight> (362)
390.88706

>  <PCAT_CMPD_ID> (362)
WAY-636481

>  <CNC_ID> (362)
359391581

>  <transfer_container_id> (362)
PTN000000071

>  <COMPOUND_NUMBER> (362)
WAY-636481

>  <LOCATION_CODE> (362)
PTNCS

>  <AMOUNT_CURRENT> (362)
32.4

$$$$
WAY-654072-A
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
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 12  1  1  0  0  0  0
 13  5  1  0  0  0  0
 14 12  1  0  0  0  0
 15  5  2  0  0  0  0
 16  9  2  0  0  0  0
 17  6  1  0  0  0  0
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 19  7  1  0  0  0  0
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 27 24  2  0  0  0  0
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  7  2  1  0  0  0  0
 18 21  2  0  0  0  0
 26 28  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C21H14N2O4S

>  <MolWeight> (363)
390.41186

>  <PCAT_CMPD_ID> (363)
WAY-654072-A

>  <CNC_ID> (363)
359392313

>  <transfer_container_id> (363)
PTN000000071

>  <COMPOUND_NUMBER> (363)
WAY-654072-A

>  <LOCATION_CODE> (363)
PTNCS

>  <AMOUNT_CURRENT> (363)
32.5

$$$$
WAY-604591
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 15 21  2  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
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 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C19H15NO3S2

>  <MolWeight> (364)
369.4573

>  <PCAT_CMPD_ID> (364)
WAY-604591

>  <CNC_ID> (364)
359402426

>  <transfer_container_id> (364)
PTN000000072

>  <COMPOUND_NUMBER> (364)
WAY-604591

>  <LOCATION_CODE> (364)
PTNCS

>  <AMOUNT_CURRENT> (364)
32.3

$$$$
WAY-636984
csChFnd80/10101909502D

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 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  1  2  0  0  0  0
 17  7  2  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20  9  1  0  0  0  0
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 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C17H21ClN4O

>  <MolWeight> (365)
332.82784

>  <PCAT_CMPD_ID> (365)
WAY-636984

>  <CNC_ID> (365)
359403963

>  <transfer_container_id> (365)
PTN000000072

>  <COMPOUND_NUMBER> (365)
WAY-636984

>  <LOCATION_CODE> (365)
PTNCS

>  <AMOUNT_CURRENT> (365)
32.4

$$$$
WAY-637183
csChFnd80/10101909502D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C6H6N2O4

>  <MolWeight> (366)
170.12284

>  <PCAT_CMPD_ID> (366)
WAY-637183

>  <CNC_ID> (366)
359404162

>  <transfer_container_id> (366)
PTN000000072

>  <COMPOUND_NUMBER> (366)
WAY-637183

>  <LOCATION_CODE> (366)
PTNCS

>  <AMOUNT_CURRENT> (366)
32.7

$$$$
WAY-657630
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C12H13NO4

>  <MolWeight> (367)
235.23592

>  <PCAT_CMPD_ID> (367)
WAY-657630

>  <CNC_ID> (367)
359407343

>  <transfer_container_id> (367)
PTN000000072

>  <COMPOUND_NUMBER> (367)
WAY-657630

>  <LOCATION_CODE> (367)
PTNCS

>  <AMOUNT_CURRENT> (367)
32.3

$$$$
WAY-605891
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 14  1  0  0  0  0
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 16  3  1  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
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  6 10  2  0  0  0  0
 19 13  2  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C17H23NO2

>  <MolWeight> (368)
273.37002

>  <PCAT_CMPD_ID> (368)
WAY-605891

>  <CNC_ID> (368)
359414307

>  <transfer_container_id> (368)
PTN000000073

>  <COMPOUND_NUMBER> (368)
WAY-605891

>  <LOCATION_CODE> (368)
PTNCS

>  <AMOUNT_CURRENT> (368)
32.9

$$$$
WAY-638682
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 15  2  0  0  0  0
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 24 21  1  0  0  0  0
 26 19  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C23H20N2S

>  <MolWeight> (369)
356.4833

>  <PCAT_CMPD_ID> (369)
WAY-638682

>  <CNC_ID> (369)
359417138

>  <transfer_container_id> (369)
PTN000000073

>  <COMPOUND_NUMBER> (369)
WAY-638682

>  <LOCATION_CODE> (369)
PTNCS

>  <AMOUNT_CURRENT> (369)
32.7

$$$$
WAY-639091
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  2  1  0  0  0  0
 11 10  2  0  0  0  0
 12  1  1  0  0  0  0
 13 15  1  0  0  0  0
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 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
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 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C17H17NO3

>  <MolWeight> (370)
283.32178

>  <PCAT_CMPD_ID> (370)
WAY-639091

>  <CNC_ID> (370)
359417547

>  <transfer_container_id> (370)
PTN000000073

>  <COMPOUND_NUMBER> (370)
WAY-639091

>  <LOCATION_CODE> (370)
PTNCS

>  <AMOUNT_CURRENT> (370)
32.6

$$$$
WAY-326414
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.4333   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
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 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C11H9BrN2O3

>  <MolWeight> (371)
297.10476

>  <PCAT_CMPD_ID> (371)
WAY-326414

>  <CNC_ID> (371)
359423383

>  <transfer_container_id> (371)
PTN000000074

>  <COMPOUND_NUMBER> (371)
WAY-326414

>  <LOCATION_CODE> (371)
PTNCS

>  <AMOUNT_CURRENT> (371)
32.5

$$$$
WAY-620731
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 11  2  2  0  0  0  0
 12  4  1  0  0  0  0
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  8 17  2  0  0  0  0
M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C14H14Cl2N4O2S

>  <MolWeight> (372)
373.25756

>  <PCAT_CMPD_ID> (372)
WAY-620731

>  <CNC_ID> (372)
359428005

>  <transfer_container_id> (372)
PTN000000074

>  <COMPOUND_NUMBER> (372)
WAY-620731

>  <LOCATION_CODE> (372)
PTNCS

>  <AMOUNT_CURRENT> (372)
32.5

$$$$
WAY-621968
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C14H11ClN2S

>  <MolWeight> (373)
274.76854

>  <PCAT_CMPD_ID> (373)
WAY-621968

>  <CNC_ID> (373)
359429241

>  <transfer_container_id> (373)
PTN000000074

>  <COMPOUND_NUMBER> (373)
WAY-621968

>  <LOCATION_CODE> (373)
PTNCS

>  <AMOUNT_CURRENT> (373)
32.3

$$$$
WAY-660105
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C20H21N5O3

>  <MolWeight> (374)
379.41244

>  <PCAT_CMPD_ID> (374)
WAY-660105

>  <CNC_ID> (374)
359431343

>  <transfer_container_id> (374)
PTN000000074

>  <COMPOUND_NUMBER> (374)
WAY-660105

>  <LOCATION_CODE> (374)
PTNCS

>  <AMOUNT_CURRENT> (374)
32.6

$$$$
WAY-660862
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  2  0  0  0  0
 13 20  2  0  0  0  0
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 16  6  1  0  0  0  0
 17  4  1  0  0  0  0
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 22 10  1  0  0  0  0
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M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C16H14BrNO4

>  <MolWeight> (375)
364.19066

>  <PCAT_CMPD_ID> (375)
WAY-660862

>  <CNC_ID> (375)
359432101

>  <transfer_container_id> (375)
PTN000000074

>  <COMPOUND_NUMBER> (375)
WAY-660862

>  <LOCATION_CODE> (375)
PTNCS

>  <AMOUNT_CURRENT> (375)
32.2

$$$$
WYE-176187
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11 13  2  0  0  0  0
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 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C18H16ClN3O

>  <MolWeight> (376)
325.79214

>  <PCAT_CMPD_ID> (376)
WYE-176187

>  <CNC_ID> (376)
359450282

>  <transfer_container_id> (376)
PTN000000076

>  <COMPOUND_NUMBER> (376)
WYE-176187

>  <LOCATION_CODE> (376)
PTNCS

>  <AMOUNT_CURRENT> (376)
32.7

$$$$
WAY-623701
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  2  0  0  0  0
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 14  1  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
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 18  8  2  0  0  0  0
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 12  9  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C19H21NOS

>  <MolWeight> (377)
311.44114

>  <PCAT_CMPD_ID> (377)
WAY-623701

>  <CNC_ID> (377)
359322321

>  <transfer_container_id> (377)
PTN000000065

>  <COMPOUND_NUMBER> (377)
WAY-623701

>  <LOCATION_CODE> (377)
PTNCS

>  <AMOUNT_CURRENT> (377)
32.9

$$$$
WAY-312818
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
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 15 17  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C15H10Cl3NO3S

>  <MolWeight> (378)
390.6688

>  <PCAT_CMPD_ID> (378)
WAY-312818

>  <CNC_ID> (378)
359327855

>  <transfer_container_id> (378)
PTN000000067

>  <COMPOUND_NUMBER> (378)
WAY-312818

>  <LOCATION_CODE> (378)
PTNCS

>  <AMOUNT_CURRENT> (378)
33.4

$$$$
WAY-239443
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 25 28  1  0  0  0  0
  9 12  2  0  0  0  0
 16 17  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C21H26N2O4S

>  <MolWeight> (379)
402.50714

>  <PCAT_CMPD_ID> (379)
WAY-239443

>  <CNC_ID> (379)
359326913

>  <transfer_container_id> (379)
PTN000000067

>  <COMPOUND_NUMBER> (379)
WAY-239443

>  <LOCATION_CODE> (379)
PTNCS

>  <AMOUNT_CURRENT> (379)
33.7

$$$$
WAY-313297
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8  3  2  0  0  0  0
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 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
 17 15  1  0  0  0  0
 18  9  1  0  0  0  0
 19 10  2  0  0  0  0
 20 17  1  0  0  0  0
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 22 11  2  0  0  0  0
 23 11  1  0  0  0  0
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 18 14  2  0  0  0  0
 12  7  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C20H16N2O4

>  <MolWeight> (380)
348.35204

>  <PCAT_CMPD_ID> (380)
WAY-313297

>  <CNC_ID> (380)
359328333

>  <transfer_container_id> (380)
PTN000000067

>  <COMPOUND_NUMBER> (380)
WAY-313297

>  <LOCATION_CODE> (380)
PTNCS

>  <AMOUNT_CURRENT> (380)
33.4

$$$$
WAY-297788
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  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
 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
  7  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C16H16N2O3

>  <MolWeight> (381)
284.30984

>  <PCAT_CMPD_ID> (381)
WAY-297788

>  <CNC_ID> (381)
359344232

>  <transfer_container_id> (381)
PTN000000068

>  <COMPOUND_NUMBER> (381)
WAY-297788

>  <LOCATION_CODE> (381)
PTNCS

>  <AMOUNT_CURRENT> (381)
33.4

$$$$
WAY-297505
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
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  6  8  1  0  0  0  0
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 19 20  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C19H18N2O5S

>  <MolWeight> (382)
386.42162

>  <PCAT_CMPD_ID> (382)
WAY-297505

>  <CNC_ID> (382)
359343949

>  <transfer_container_id> (382)
PTN000000068

>  <COMPOUND_NUMBER> (382)
WAY-297505

>  <LOCATION_CODE> (382)
PTNCS

>  <AMOUNT_CURRENT> (382)
33.2

$$$$
WAY-297509
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.9933   -0.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 10  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C18H20N2O2

>  <MolWeight> (383)
296.3636

>  <PCAT_CMPD_ID> (383)
WAY-297509

>  <CNC_ID> (383)
359343953

>  <transfer_container_id> (383)
PTN000000068

>  <COMPOUND_NUMBER> (383)
WAY-297509

>  <LOCATION_CODE> (383)
PTNCS

>  <AMOUNT_CURRENT> (383)
33.4

$$$$
WAY-297526
csChFnd80/10101909502D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.7172    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C11H21N3O2

>  <MolWeight> (384)
227.30334

>  <PCAT_CMPD_ID> (384)
WAY-297526

>  <CNC_ID> (384)
359343970

>  <transfer_container_id> (384)
PTN000000068

>  <COMPOUND_NUMBER> (384)
WAY-297526

>  <LOCATION_CODE> (384)
PTNCS

>  <AMOUNT_CURRENT> (384)
33.1

$$$$
WAY-297530-A
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
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  5  4  2  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C15H19N

>  <MolWeight> (385)
213.31806

>  <PCAT_CMPD_ID> (385)
WAY-297530-A

>  <CNC_ID> (385)
359343974

>  <transfer_container_id> (385)
PTN000000068

>  <COMPOUND_NUMBER> (385)
WAY-297530-A

>  <LOCATION_CODE> (385)
PTNCS

>  <AMOUNT_CURRENT> (385)
33.1

$$$$
WAY-297567
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.4172    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C13H10INO4

>  <MolWeight> (386)
371.12727

>  <PCAT_CMPD_ID> (386)
WAY-297567

>  <CNC_ID> (386)
359344011

>  <transfer_container_id> (386)
PTN000000068

>  <COMPOUND_NUMBER> (386)
WAY-297567

>  <LOCATION_CODE> (386)
PTNCS

>  <AMOUNT_CURRENT> (386)
33

$$$$
WAY-297577
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (387)
387

>  <Formula> (387)
C14H12N2O3

>  <MolWeight> (387)
256.25668

>  <PCAT_CMPD_ID> (387)
WAY-297577

>  <CNC_ID> (387)
359344021

>  <transfer_container_id> (387)
PTN000000068

>  <COMPOUND_NUMBER> (387)
WAY-297577

>  <LOCATION_CODE> (387)
PTNCS

>  <AMOUNT_CURRENT> (387)
33.1

$$$$
WAY-297589
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  6 10  2  0  0  0  0
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 17 18  1  0  0  0  0
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  9 10  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C15H10O2S

>  <MolWeight> (388)
254.3037

>  <PCAT_CMPD_ID> (388)
WAY-297589

>  <CNC_ID> (388)
359344033

>  <transfer_container_id> (388)
PTN000000068

>  <COMPOUND_NUMBER> (388)
WAY-297589

>  <LOCATION_CODE> (388)
PTNCS

>  <AMOUNT_CURRENT> (388)
33.5

$$$$
WAY-297613-A
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 13 18  1  0  0  0  0
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 22 24  1  0  0  0  0
  7 11  1  0  0  0  0
 13 17  1  0  0  0  0
 15 19  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C18H17ClN2O2S

>  <MolWeight> (389)
360.85778

>  <PCAT_CMPD_ID> (389)
WAY-297613-A

>  <CNC_ID> (389)
359344057

>  <transfer_container_id> (389)
PTN000000068

>  <COMPOUND_NUMBER> (389)
WAY-297613-A

>  <LOCATION_CODE> (389)
PTNCS

>  <AMOUNT_CURRENT> (389)
33.4

$$$$
WAY-297854
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    1.5069    2.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8690   -4.2680    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5 11  1  0  0  0  0
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 11 14  1  0  0  0  0
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  5  9  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C17H13ClN2O2

>  <MolWeight> (390)
312.75032

>  <PCAT_CMPD_ID> (390)
WAY-297854

>  <CNC_ID> (390)
359344298

>  <transfer_container_id> (390)
PTN000000068

>  <COMPOUND_NUMBER> (390)
WAY-297854

>  <LOCATION_CODE> (390)
PTNCS

>  <AMOUNT_CURRENT> (390)
33.3

$$$$
WAY-297885
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    1.9069    0.1069    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
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 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
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C14H12N2O3S

>  <MolWeight> (391)
288.32168

>  <PCAT_CMPD_ID> (391)
WAY-297885

>  <CNC_ID> (391)
359344329

>  <transfer_container_id> (391)
PTN000000068

>  <COMPOUND_NUMBER> (391)
WAY-297885

>  <LOCATION_CODE> (391)
PTNCS

>  <AMOUNT_CURRENT> (391)
33.4

$$$$
WAY-297919
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6931   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 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
 17 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
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5  8  1  0  0  0  0
 14 15  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C18H17NO3S3

>  <MolWeight> (392)
391.52748

>  <PCAT_CMPD_ID> (392)
WAY-297919

>  <CNC_ID> (392)
359344363

>  <transfer_container_id> (392)
PTN000000068

>  <COMPOUND_NUMBER> (392)
WAY-297919

>  <LOCATION_CODE> (392)
PTNCS

>  <AMOUNT_CURRENT> (392)
33.3

$$$$
WAY-297920
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  6  1  0  0  0  0
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  7 10  2  0  0  0  0
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 11 13  1  0  0  0  0
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 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
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 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5  6  2  0  0  0  0
 18 21  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C17H15ClN4OS2

>  <MolWeight> (393)
390.9102

>  <PCAT_CMPD_ID> (393)
WAY-297920

>  <CNC_ID> (393)
359344364

>  <transfer_container_id> (393)
PTN000000068

>  <COMPOUND_NUMBER> (393)
WAY-297920

>  <LOCATION_CODE> (393)
PTNCS

>  <AMOUNT_CURRENT> (393)
33.1

$$$$
WAY-297934
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
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 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
 19 20  1  0  0  0  0
  5  8  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C13H11Cl2NO3S

>  <MolWeight> (394)
332.20234

>  <PCAT_CMPD_ID> (394)
WAY-297934

>  <CNC_ID> (394)
359344378

>  <transfer_container_id> (394)
PTN000000068

>  <COMPOUND_NUMBER> (394)
WAY-297934

>  <LOCATION_CODE> (394)
PTNCS

>  <AMOUNT_CURRENT> (394)
33.4

$$$$
WAY-297945
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.8552   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 23  1  0  0  0  0
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M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C23H16F2N2O2

>  <MolWeight> (395)
390.3821464

>  <PCAT_CMPD_ID> (395)
WAY-297945

>  <CNC_ID> (395)
359344389

>  <transfer_container_id> (395)
PTN000000068

>  <COMPOUND_NUMBER> (395)
WAY-297945

>  <LOCATION_CODE> (395)
PTNCS

>  <AMOUNT_CURRENT> (395)
33.2

$$$$
WAY-297989
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (396)
396

>  <Formula> (396)
C19H18Cl3N5OS

>  <MolWeight> (396)
470.80312

>  <PCAT_CMPD_ID> (396)
WAY-297989

>  <CNC_ID> (396)
359344433

>  <transfer_container_id> (396)
PTN000000068

>  <COMPOUND_NUMBER> (396)
WAY-297989

>  <LOCATION_CODE> (396)
PTNCS

>  <AMOUNT_CURRENT> (396)
33.1

$$$$
WL-188687
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (397)
397

>  <Formula> (397)
C10H8O2S2

>  <MolWeight> (397)
224.29932

>  <PCAT_CMPD_ID> (397)
WL-188687

>  <CNC_ID> (397)
359353682

>  <transfer_container_id> (397)
PTN000000068

>  <COMPOUND_NUMBER> (397)
WL-188687

>  <LOCATION_CODE> (397)
PTNCS

>  <AMOUNT_CURRENT> (397)
33.3

$$$$
WAY-298342
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (398)
398

>  <Formula> (398)
C15H23N3S

>  <MolWeight> (398)
277.42822

>  <PCAT_CMPD_ID> (398)
WAY-298342

>  <CNC_ID> (398)
359357336

>  <transfer_container_id> (398)
PTN000000069

>  <COMPOUND_NUMBER> (398)
WAY-298342

>  <LOCATION_CODE> (398)
PTNCS

>  <AMOUNT_CURRENT> (398)
33.3

$$$$
WAY-298358
csChFnd80/10101909502D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C24H25N3O3S

>  <MolWeight> (399)
435.5386

>  <PCAT_CMPD_ID> (399)
WAY-298358

>  <CNC_ID> (399)
359357352

>  <transfer_container_id> (399)
PTN000000069

>  <COMPOUND_NUMBER> (399)
WAY-298358

>  <LOCATION_CODE> (399)
PTNCS

>  <AMOUNT_CURRENT> (399)
33

$$$$
WAY-298428
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   -2.7966    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9793   -1.5828    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
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
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  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C18H19N3OS

>  <MolWeight> (400)
325.42796

>  <PCAT_CMPD_ID> (400)
WAY-298428

>  <CNC_ID> (400)
359357422

>  <transfer_container_id> (400)
PTN000000069

>  <COMPOUND_NUMBER> (400)
WAY-298428

>  <LOCATION_CODE> (400)
PTNCS

>  <AMOUNT_CURRENT> (400)
33.5

$$$$
WAY-298447
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.4207   -1.0828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8552   -1.0828    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7690    0.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9379    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4862    2.1655    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  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
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C18H18N2O3S

>  <MolWeight> (401)
342.41212

>  <PCAT_CMPD_ID> (401)
WAY-298447

>  <CNC_ID> (401)
359357441

>  <transfer_container_id> (401)
PTN000000069

>  <COMPOUND_NUMBER> (401)
WAY-298447

>  <LOCATION_CODE> (401)
PTNCS

>  <AMOUNT_CURRENT> (401)
33.4

$$$$
WAY-299554
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.5586    0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2069    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  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
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
  6  8  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (402)
402

>  <Formula> (402)
C11H9NO3S

>  <MolWeight> (402)
235.25906

>  <PCAT_CMPD_ID> (402)
WAY-299554

>  <CNC_ID> (402)
359370231

>  <transfer_container_id> (402)
PTN000000070

>  <COMPOUND_NUMBER> (402)
WAY-299554

>  <LOCATION_CODE> (402)
PTNCS

>  <AMOUNT_CURRENT> (402)
33.4

$$$$
WAY-299610-A
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.1276   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5759    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345    0.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5759   -1.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2862   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
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 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
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 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
 21 24  1  0  0  0  0
 23 27  1  0  0  0  0
M  END
>  <Mol_ID> (403)
403

>  <Formula> (403)
C22H23NO4

>  <MolWeight> (403)
365.42232

>  <PCAT_CMPD_ID> (403)
WAY-299610-A

>  <CNC_ID> (403)
359370287

>  <transfer_container_id> (403)
PTN000000070

>  <COMPOUND_NUMBER> (403)
WAY-299610-A

>  <LOCATION_CODE> (403)
PTNCS

>  <AMOUNT_CURRENT> (403)
33.2

$$$$
WAY-299680
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.5103    0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103    1.0241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9000    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4000    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1000    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1724    2.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 19  1  0  0  0  0
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 25 28  1  0  0  0  0
  8 10  2  0  0  0  0
 23 24  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C22H20O6

>  <MolWeight> (404)
380.3906

>  <PCAT_CMPD_ID> (404)
WAY-299680

>  <CNC_ID> (404)
359370357

>  <transfer_container_id> (404)
PTN000000070

>  <COMPOUND_NUMBER> (404)
WAY-299680

>  <LOCATION_CODE> (404)
PTNCS

>  <AMOUNT_CURRENT> (404)
33.1

$$$$
WAY-299692
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.4899    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1308   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8446   -0.5584    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  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
  9 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
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 20 21  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C15H12ClN3O2

>  <MolWeight> (405)
301.72768

>  <PCAT_CMPD_ID> (405)
WAY-299692

>  <CNC_ID> (405)
359370369

>  <transfer_container_id> (405)
PTN000000070

>  <COMPOUND_NUMBER> (405)
WAY-299692

>  <LOCATION_CODE> (405)
PTNCS

>  <AMOUNT_CURRENT> (405)
33.4

$$$$
WAY-388384
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.6167   -8.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9917  -11.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2042   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042  -11.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0375  -10.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6292   -9.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9667  -11.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167  -11.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9042  -10.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000  -12.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3792  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2417  -10.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000  -12.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5500  -10.9042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.4542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.9667  -13.0375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3417  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -6.0292    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  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10 15  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
 21  2  1  0  0  0  0
 22  2  1  0  0  0  0
 23  4  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 27 26  1  0  0  0  0
 12 25  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C18H17F3N2O3S

>  <MolWeight> (406)
398.3993896

>  <PCAT_CMPD_ID> (406)
WAY-388384

>  <CNC_ID> (406)
359372523

>  <transfer_container_id> (406)
PTN000000070

>  <COMPOUND_NUMBER> (406)
WAY-388384

>  <LOCATION_CODE> (406)
PTNCS

>  <AMOUNT_CURRENT> (406)
32.8

$$$$
WAY-388533
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
   13.4417   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -6.2250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4792   -7.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9542   -7.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9875   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -6.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3750   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3042   -5.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9292   -7.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9167   -6.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -7.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3250   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4667   -5.2542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.1292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4792   -8.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4167   -5.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9875   -9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3 16  1  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  8  2  0  0  0  0
  8 14  1  0  0  0  0
  9  2  1  0  0  0  0
 10 19  1  0  0  0  0
 11  5  2  0  0  0  0
 12  2  2  0  0  0  0
 13  1  2  0  0  0  0
 14 20  2  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19 23  2  0  0  0  0
 20 13  1  0  0  0  0
 21  5  1  0  0  0  0
 22 10  1  0  0  0  0
 23 15  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 14 11  1  0  0  0  0
  3 10  2  0  0  0  0
M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C17H16F2N2O4

>  <MolWeight> (407)
350.3167464

>  <PCAT_CMPD_ID> (407)
WAY-388533

>  <CNC_ID> (407)
359372671

>  <transfer_container_id> (407)
PTN000000070

>  <COMPOUND_NUMBER> (407)
WAY-388533

>  <LOCATION_CODE> (407)
PTNCS

>  <AMOUNT_CURRENT> (407)
32.3

$$$$
WAY-388543
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
   11.5750  -12.9250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417  -13.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6042   -2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625    0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9292  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2792  -15.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5542   -9.5417    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 12  1  0  0  0  0
  7  3  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13  2  2  0  0  0  0
 14  4  2  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17  1  1  0  0  0  0
 18 22  1  0  0  0  0
 19 24  1  0  0  0  0
 20 11  1  0  0  0  0
 21  7  1  0  0  0  0
 22  8  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
  5 10  1  0  0  0  0
  9 18  2  0  0  0  0
M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C14H13ClN2O6S

>  <MolWeight> (408)
372.78082

>  <PCAT_CMPD_ID> (408)
WAY-388543

>  <CNC_ID> (408)
359372681

>  <transfer_container_id> (408)
PTN000000070

>  <COMPOUND_NUMBER> (408)
WAY-388543

>  <LOCATION_CODE> (408)
PTNCS

>  <AMOUNT_CURRENT> (408)
32.5

$$$$
WAY-388964
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.3500   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -3.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -3.5917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5000   -3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  7  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  2  0  0  0  0
 11  3  2  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14  8  2  0  0  0  0
 15 21  1  0  0  0  0
 16 20  2  0  0  0  0
 17  9  1  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
  4  8  1  0  0  0  0
 12 16  1  0  0  0  0
  6 13  2  0  0  0  0
M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C18H20N2O3S

>  <MolWeight> (409)
344.428

>  <PCAT_CMPD_ID> (409)
WAY-388964

>  <CNC_ID> (409)
359373101

>  <transfer_container_id> (409)
PTN000000070

>  <COMPOUND_NUMBER> (409)
WAY-388964

>  <LOCATION_CODE> (409)
PTNCS

>  <AMOUNT_CURRENT> (409)
32.4

$$$$
WAY-389178
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.8375   -4.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5625   -8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792  -10.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7167   -5.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000   -8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1250   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3375  -11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  3  1  0  0  0  0
  5 14  1  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  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  4  1  0  0  0  0
 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  2  0  0  0  0
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 25 22  1  0  0  0  0
 26 23  1  0  0  0  0
 15  5  1  0  0  0  0
 25 21  2  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C19H23N3O3S

>  <MolWeight> (410)
373.46922

>  <PCAT_CMPD_ID> (410)
WAY-389178

>  <CNC_ID> (410)
359373306

>  <transfer_container_id> (410)
PTN000000070

>  <COMPOUND_NUMBER> (410)
WAY-389178

>  <LOCATION_CODE> (410)
PTNCS

>  <AMOUNT_CURRENT> (410)
32.7

$$$$
CL-815512
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C16H12N4O4

>  <MolWeight> (411)
324.29088

>  <PCAT_CMPD_ID> (411)
CL-815512

>  <CNC_ID> (411)
359407748

>  <transfer_container_id> (411)
PTN000000073

>  <COMPOUND_NUMBER> (411)
CL-815512

>  <LOCATION_CODE> (411)
PTNCS

>  <AMOUNT_CURRENT> (411)
33.1

$$$$
WAY-114839
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -1.1201    0.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  2  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C14H21N5O4

>  <MolWeight> (412)
323.34764

>  <PCAT_CMPD_ID> (412)
WAY-114839

>  <CNC_ID> (412)
359407810

>  <transfer_container_id> (412)
PTN000000073

>  <COMPOUND_NUMBER> (412)
WAY-114839

>  <LOCATION_CODE> (412)
PTNCS

>  <AMOUNT_CURRENT> (412)
33.4

$$$$
WAY-308560
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.3862   -0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3862   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
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 16 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 22 24  2  0  0  0  0
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 23 26  1  0  0  0  0
  6  8  1  0  0  0  0
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 18 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C20H19ClN2O3

>  <MolWeight> (413)
370.82946

>  <PCAT_CMPD_ID> (413)
WAY-308560

>  <CNC_ID> (413)
359421413

>  <transfer_container_id> (413)
PTN000000074

>  <COMPOUND_NUMBER> (413)
WAY-308560

>  <LOCATION_CODE> (413)
PTNCS

>  <AMOUNT_CURRENT> (413)
33.5

$$$$
WAY-313971
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.7103    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6 10  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (414)
414

>  <Formula> (414)
C13H17N3O3S

>  <MolWeight> (414)
295.35738

>  <PCAT_CMPD_ID> (414)
WAY-313971

>  <CNC_ID> (414)
359329007

>  <transfer_container_id> (414)
PTN000000067

>  <COMPOUND_NUMBER> (414)
WAY-313971

>  <LOCATION_CODE> (414)
PTNCS

>  <AMOUNT_CURRENT> (414)
33

$$$$
WAY-313203
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.1222    0.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (415)
415

>  <Formula> (415)
C15H16N2O2

>  <MolWeight> (415)
256.29974

>  <PCAT_CMPD_ID> (415)
WAY-313203

>  <CNC_ID> (415)
359328239

>  <transfer_container_id> (415)
PTN000000067

>  <COMPOUND_NUMBER> (415)
WAY-313203

>  <LOCATION_CODE> (415)
PTNCS

>  <AMOUNT_CURRENT> (415)
33.1

$$$$
WAY-313241
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
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 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
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 19 22  1  0  0  0  0
  5  7  2  0  0  0  0
 13 16  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C17H15N3OS

>  <MolWeight> (416)
309.3855

>  <PCAT_CMPD_ID> (416)
WAY-313241

>  <CNC_ID> (416)
359328277

>  <transfer_container_id> (416)
PTN000000067

>  <COMPOUND_NUMBER> (416)
WAY-313241

>  <LOCATION_CODE> (416)
PTNCS

>  <AMOUNT_CURRENT> (416)
33.6

$$$$
WAY-312705
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  7  9  1  0  0  0  0
 12 14  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C18H17BrN2O2

>  <MolWeight> (417)
373.24378

>  <PCAT_CMPD_ID> (417)
WAY-312705

>  <CNC_ID> (417)
359327742

>  <transfer_container_id> (417)
PTN000000067

>  <COMPOUND_NUMBER> (417)
WAY-312705

>  <LOCATION_CODE> (417)
PTNCS

>  <AMOUNT_CURRENT> (417)
33.4

$$$$
WAY-314538
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.9103   -1.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
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 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (418)
418

>  <Formula> (418)
C17H16ClN3O2

>  <MolWeight> (418)
329.78084

>  <PCAT_CMPD_ID> (418)
WAY-314538

>  <CNC_ID> (418)
359329575

>  <transfer_container_id> (418)
PTN000000067

>  <COMPOUND_NUMBER> (418)
WAY-314538

>  <LOCATION_CODE> (418)
PTNCS

>  <AMOUNT_CURRENT> (418)
33

$$$$
CL-406115
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
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  5  9  2  0  0  0  0
  7 11  1  0  0  0  0
 15 18  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C18H17N3

>  <MolWeight> (419)
275.34768

>  <PCAT_CMPD_ID> (419)
CL-406115

>  <CNC_ID> (419)
359339893

>  <transfer_container_id> (419)
PTN000000068

>  <COMPOUND_NUMBER> (419)
CL-406115

>  <LOCATION_CODE> (419)
PTNCS

>  <AMOUNT_CURRENT> (419)
33.4

$$$$
CL-416648
csChFnd80/10101909502D

 34 39  0  0  0  0  0  0  0  0999 V2000
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 11 18  1  0  0  0  0
 13 19  2  0  0  0  0
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 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  2  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
  6  8  1  0  0  0  0
  9 11  2  0  0  0  0
 13 14  1  0  0  0  0
 23 24  1  0  0  0  0
 27 30  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C28H21NO5

>  <MolWeight> (420)
451.47004

>  <PCAT_CMPD_ID> (420)
CL-416648

>  <CNC_ID> (420)
359339920

>  <transfer_container_id> (420)
PTN000000068

>  <COMPOUND_NUMBER> (420)
CL-416648

>  <LOCATION_CODE> (420)
PTNCS

>  <AMOUNT_CURRENT> (420)
33.1

$$$$
CL-427609
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.1928   -1.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937   -0.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2339   -0.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8781   -3.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1991   -1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1991   -2.9348    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
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
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 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 24 26  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C23H20N2O5

>  <MolWeight> (421)
404.4153

>  <PCAT_CMPD_ID> (421)
CL-427609

>  <CNC_ID> (421)
359339956

>  <transfer_container_id> (421)
PTN000000068

>  <COMPOUND_NUMBER> (421)
CL-427609

>  <LOCATION_CODE> (421)
PTNCS

>  <AMOUNT_CURRENT> (421)
33

$$$$
GI-526037
csChFnd80/10101909502D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2159   -1.2791    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2000   -0.6580    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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 11 17  1  0  0  0  0
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 31 32  1  0  0  0  0
  6  9  1  0  0  0  0
  8 12  2  0  0  0  0
 20 25  1  0  0  0  0
 24 29  2  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C28H25NO3

>  <MolWeight> (422)
423.503

>  <PCAT_CMPD_ID> (422)
GI-526037

>  <CNC_ID> (422)
359339978

>  <transfer_container_id> (422)
PTN000000068

>  <COMPOUND_NUMBER> (422)
GI-526037

>  <LOCATION_CODE> (422)
PTNCS

>  <AMOUNT_CURRENT> (422)
33.5

$$$$
GI-573605
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.6197   -0.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C11H8N2S

>  <MolWeight> (423)
200.25962

>  <PCAT_CMPD_ID> (423)
GI-573605

>  <CNC_ID> (423)
359339999

>  <transfer_container_id> (423)
PTN000000068

>  <COMPOUND_NUMBER> (423)
GI-573605

>  <LOCATION_CODE> (423)
PTNCS

>  <AMOUNT_CURRENT> (423)
33.5

$$$$
WAY-112300
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  6  8  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C12H11NO2S

>  <MolWeight> (424)
233.28624

>  <PCAT_CMPD_ID> (424)
WAY-112300

>  <CNC_ID> (424)
359340017

>  <transfer_container_id> (424)
PTN000000068

>  <COMPOUND_NUMBER> (424)
WAY-112300

>  <LOCATION_CODE> (424)
PTNCS

>  <AMOUNT_CURRENT> (424)
33.1

$$$$
WAY-116797
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 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
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (425)
425

>  <Formula> (425)
C19H21N3O2

>  <MolWeight> (425)
323.38894

>  <PCAT_CMPD_ID> (425)
WAY-116797

>  <CNC_ID> (425)
359340063

>  <transfer_container_id> (425)
PTN000000068

>  <COMPOUND_NUMBER> (425)
WAY-116797

>  <LOCATION_CODE> (425)
PTNCS

>  <AMOUNT_CURRENT> (425)
33.5

$$$$
WAY-118651-A
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.1238   -1.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0486    2.4382    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 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
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
  8  9  2  0  0  0  0
 17 19  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (426)
426

>  <Formula> (426)
C20H29N3O3

>  <MolWeight> (426)
359.46256

>  <PCAT_CMPD_ID> (426)
WAY-118651-A

>  <CNC_ID> (426)
359340102

>  <transfer_container_id> (426)
PTN000000068

>  <COMPOUND_NUMBER> (426)
WAY-118651-A

>  <LOCATION_CODE> (426)
PTNCS

>  <AMOUNT_CURRENT> (426)
33.1

$$$$
WAY-119925
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.5278   -0.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6278   -1.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 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
  6  8  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C15H22N2O3

>  <MolWeight> (427)
278.34678

>  <PCAT_CMPD_ID> (427)
WAY-119925

>  <CNC_ID> (427)
359340119

>  <transfer_container_id> (427)
PTN000000068

>  <COMPOUND_NUMBER> (427)
WAY-119925

>  <LOCATION_CODE> (427)
PTNCS

>  <AMOUNT_CURRENT> (427)
33.4

$$$$
WAY-226721
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.9699    4.3812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 16  1  0  0  0  0
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  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
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 10  1  1  0  0  0  0
 11 22  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  2  1  0  0  0  0
 15  2  2  0  0  0  0
 16 17  2  0  0  0  0
 17  9  1  0  0  0  0
 18 23  2  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 17  1  0  0  0  0
 24  3  1  0  0  0  0
 25  8  1  0  0  0  0
 26  8  1  0  0  0  0
 11 21  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
M  END
>  <Mol_ID> (428)
428

>  <Formula> (428)
C18H18N2O5S

>  <MolWeight> (428)
374.41092

>  <PCAT_CMPD_ID> (428)
WAY-226721

>  <CNC_ID> (428)
359340187

>  <transfer_container_id> (428)
PTN000000068

>  <COMPOUND_NUMBER> (428)
WAY-226721

>  <LOCATION_CODE> (428)
PTNCS

>  <AMOUNT_CURRENT> (428)
33.2

$$$$
WAY-231318
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   13.3435   -5.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2295    0.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13  9  2  0  0  0  0
 14  6  2  0  0  0  0
 15  3  1  0  0  0  0
 16 15  1  0  0  0  0
 17  9  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  2  0  0  0  0
 20 24  2  0  0  0  0
 21  8  2  0  0  0  0
 22 15  2  0  0  0  0
 23 13  1  0  0  0  0
 24 22  1  0  0  0  0
 25 17  2  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 20  1  0  0  0  0
  7 13  1  0  0  0  0
 23 26  2  0  0  0  0
 20 12  1  0  0  0  0
 11  2  2  0  0  0  0
M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C19H12ClN3O5

>  <MolWeight> (429)
397.76868

>  <PCAT_CMPD_ID> (429)
WAY-231318

>  <CNC_ID> (429)
359340224

>  <transfer_container_id> (429)
PTN000000068

>  <COMPOUND_NUMBER> (429)
WAY-231318

>  <LOCATION_CODE> (429)
PTNCS

>  <AMOUNT_CURRENT> (429)
33.4

$$$$
WAY-231320
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
   13.3770   -3.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4260   -5.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -6.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4260   -4.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500   -6.5275    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  2  0  0  0  0
 11 20  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14 18  2  0  0  0  0
 15  4  1  0  0  0  0
 16  3  1  0  0  0  0
 17  3  2  0  0  0  0
 18 13  1  0  0  0  0
 19  9  2  0  0  0  0
 20 23  2  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 18  1  0  0  0  0
 24 25  2  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 24  1  0  0  0  0
 12  6  2  0  0  0  0
  8 11  2  0  0  0  0
  7  4  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C18H10FN3O5

>  <MolWeight> (430)
367.2875032

>  <PCAT_CMPD_ID> (430)
WAY-231320

>  <CNC_ID> (430)
359340225

>  <transfer_container_id> (430)
PTN000000068

>  <COMPOUND_NUMBER> (430)
WAY-231320

>  <LOCATION_CODE> (430)
PTNCS

>  <AMOUNT_CURRENT> (430)
33.3

$$$$
WAY-231330
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
   13.4735   -4.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605   -0.5885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6510   -4.8810    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8780   -1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0755   -4.4885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1925   -3.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9705   -2.9515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7210   -3.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5970   -2.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6460   -0.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4735   -2.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0675   -2.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0015   -2.0360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3495   -1.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5200   -6.3525    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6785   -3.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0015   -4.5865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5885   -0.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1100   -0.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0365   -3.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2930   -1.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295   -2.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5080   -3.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5815   -0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8885   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2295   -3.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4 14  1  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  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  2  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14 20  2  0  0  0  0
 15  3  1  0  0  0  0
 16  3  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  2  0  0  0  0
 19 10  1  0  0  0  0
 20 25  1  0  0  0  0
 21 24  2  0  0  0  0
 22 13  1  0  0  0  0
 23 17  2  0  0  0  0
 24 22  1  0  0  0  0
 25 22  2  0  0  0  0
 26 19  2  0  0  0  0
 27 23  1  0  0  0  0
 12  6  2  0  0  0  0
 14 21  1  0  0  0  0
 10  9  2  0  0  0  0
 26 23  1  0  0  0  0
M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C19H13N3O5

>  <MolWeight> (431)
363.32362

>  <PCAT_CMPD_ID> (431)
WAY-231330

>  <CNC_ID> (431)
359340228

>  <transfer_container_id> (431)
PTN000000068

>  <COMPOUND_NUMBER> (431)
WAY-231330

>  <LOCATION_CODE> (431)
PTNCS

>  <AMOUNT_CURRENT> (431)
33.1

$$$$
WAY-233094
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -5.9580   -1.4510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7745    0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8025   -3.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5350    0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3945   -1.4510    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.1125   -1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8590   -1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8450   -1.4510    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -3.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8590    2.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4650   -1.4510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9580   -5.4225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6620   -1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6055   -1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000   -3.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030    0.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4085   -5.4650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2395    0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2815   -3.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4930    0.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5355   -3.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280   -3.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0845    0.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8310    0.5495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2255    2.5350    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0845   -3.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030   -3.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1835   -1.4510    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 13  1  0  0  0  0
  8  5  1  0  0  0  0
  9 22  1  0  0  0  0
 10  2  2  0  0  0  0
 11  9  1  0  0  0  0
 12  3  2  0  0  0  0
 13 21  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17  9  2  0  0  0  0
 18  6  1  0  0  0  0
 19  6  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  8  1  0  0  0  0
 23 16  2  0  0  0  0
 24  7  1  0  0  0  0
 25 23  1  0  0  0  0
 26 27  1  0  0  0  0
 27 14  2  0  0  0  0
 28 26  2  0  0  0  0
  4  5  1  0  0  0  0
 20 13  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C19H15FN2O5S

>  <MolWeight> (432)
402.3962032

>  <PCAT_CMPD_ID> (432)
WAY-233094

>  <CNC_ID> (432)
359340250

>  <transfer_container_id> (432)
PTN000000068

>  <COMPOUND_NUMBER> (432)
WAY-233094

>  <LOCATION_CODE> (432)
PTNCS

>  <AMOUNT_CURRENT> (432)
33.4

$$$$
WAY-236584
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.8435    0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    2.1190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    2.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0037    0.3027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    2.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0381    1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5821    3.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2109    2.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    2.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7190    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  7  2  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  8  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  2  0  0  0  0
  6  3  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C10H8N2O2S

>  <MolWeight> (433)
220.24772

>  <PCAT_CMPD_ID> (433)
WAY-236584

>  <CNC_ID> (433)
359340299

>  <transfer_container_id> (433)
PTN000000068

>  <COMPOUND_NUMBER> (433)
WAY-236584

>  <LOCATION_CODE> (433)
PTNCS

>  <AMOUNT_CURRENT> (433)
33.3

$$$$
WAY-242236
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.3422   -0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547   -0.2485    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4578   -0.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4578    0.6558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2578   -0.7235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4578   -2.0943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2578   -1.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2328    1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2328    2.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547    2.0391    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  1  2  0  0  0  0
  6  3  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  2  0  0  0  0
 11 15  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
  6  9  1  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C8H11N5O3

>  <MolWeight> (434)
225.20464

>  <PCAT_CMPD_ID> (434)
WAY-242236

>  <CNC_ID> (434)
359340365

>  <transfer_container_id> (434)
PTN000000068

>  <COMPOUND_NUMBER> (434)
WAY-242236

>  <LOCATION_CODE> (434)
PTNCS

>  <AMOUNT_CURRENT> (434)
33.4

$$$$
WAY-247451
csChFnd80/10101909502D

 31 35  0  0  0  0  0  0  0  0999 V2000
    3.4542   -1.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10 15  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  2  0  0  0  0
 13  5  1  0  0  0  0
 14  2  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  2  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19  1  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 12  1  0  0  0  0
 27 11  1  0  0  0  0
 28 25  2  0  0  0  0
 29 24  2  0  0  0  0
 30 29  1  0  0  0  0
 31 28  1  0  0  0  0
  4  6  1  0  0  0  0
 22 20  2  0  0  0  0
 12  7  1  0  0  0  0
 27 30  2  0  0  0  0
 31 26  2  0  0  0  0
M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C23H17ClN4OS2

>  <MolWeight> (435)
464.99028

>  <PCAT_CMPD_ID> (435)
WAY-247451

>  <CNC_ID> (435)
359340377

>  <transfer_container_id> (435)
PTN000000068

>  <COMPOUND_NUMBER> (435)
WAY-247451

>  <LOCATION_CODE> (435)
PTNCS

>  <AMOUNT_CURRENT> (435)
33.2

$$$$
WAY-296453
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.3207   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -0.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345   -0.6862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4586    0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414    0.5414    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
  3  6  1  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
  6 12  2  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  2  0  0  0  0
 11 17  1  0  0  0  0
 14 18  2  0  0  0  0
  8 11  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (436)
436

>  <Formula> (436)
C12H12ClN3O2

>  <MolWeight> (436)
265.69558

>  <PCAT_CMPD_ID> (436)
WAY-296453

>  <CNC_ID> (436)
359342897

>  <transfer_container_id> (436)
PTN000000068

>  <COMPOUND_NUMBER> (436)
WAY-296453

>  <LOCATION_CODE> (436)
PTNCS

>  <AMOUNT_CURRENT> (436)
33.3

$$$$
WAY-296477
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.3373    0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8753    0.4856    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2868    0.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4580   -0.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8040   -0.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0868   -1.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 13  2  0  0  0  0
 15 18  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C14H16N4O3S2

>  <MolWeight> (437)
352.43184

>  <PCAT_CMPD_ID> (437)
WAY-296477

>  <CNC_ID> (437)
359342921

>  <transfer_container_id> (437)
PTN000000068

>  <COMPOUND_NUMBER> (437)
WAY-296477

>  <LOCATION_CODE> (437)
PTNCS

>  <AMOUNT_CURRENT> (437)
33.5

$$$$
WAY-296526
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.2181    0.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4428    1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3559   -0.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8557    1.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7314    1.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9561    0.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.9926   -1.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
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  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 12 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  9  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C19H23NO2

>  <MolWeight> (438)
297.39142

>  <PCAT_CMPD_ID> (438)
WAY-296526

>  <CNC_ID> (438)
359342970

>  <transfer_container_id> (438)
PTN000000068

>  <COMPOUND_NUMBER> (438)
WAY-296526

>  <LOCATION_CODE> (438)
PTNCS

>  <AMOUNT_CURRENT> (438)
33.1

$$$$
WAY-296547-A
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.4586   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -0.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7103    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9483   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
  8 12  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (439)
439

>  <Formula> (439)
C15H21N

>  <MolWeight> (439)
215.33394

>  <PCAT_CMPD_ID> (439)
WAY-296547-A

>  <CNC_ID> (439)
359342991

>  <transfer_container_id> (439)
PTN000000068

>  <COMPOUND_NUMBER> (439)
WAY-296547-A

>  <LOCATION_CODE> (439)
PTNCS

>  <AMOUNT_CURRENT> (439)
33.2

$$$$
WAY-296570
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 17 19  1  0  0  0  0
 11 13  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (440)
440

>  <Formula> (440)
C16H18N2O

>  <MolWeight> (440)
254.32692

>  <PCAT_CMPD_ID> (440)
WAY-296570

>  <CNC_ID> (440)
359343014

>  <transfer_container_id> (440)
PTN000000068

>  <COMPOUND_NUMBER> (440)
WAY-296570

>  <LOCATION_CODE> (440)
PTNCS

>  <AMOUNT_CURRENT> (440)
33.2

$$$$
WAY-296775
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    3.8931    0.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2862    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  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
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  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
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 11  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C17H18N2O3

>  <MolWeight> (441)
298.33642

>  <PCAT_CMPD_ID> (441)
WAY-296775

>  <CNC_ID> (441)
359343219

>  <transfer_container_id> (441)
PTN000000068

>  <COMPOUND_NUMBER> (441)
WAY-296775

>  <LOCATION_CODE> (441)
PTNCS

>  <AMOUNT_CURRENT> (441)
33.1

$$$$
WAY-296837-A
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.7448    0.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7483   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    1.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6966    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6966    1.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0966   -2.2069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  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  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 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
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
 10 11  1  0  0  0  0
 13 16  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C16H13Cl2N3

>  <MolWeight> (442)
318.20052

>  <PCAT_CMPD_ID> (442)
WAY-296837-A

>  <CNC_ID> (442)
359343281

>  <transfer_container_id> (442)
PTN000000068

>  <COMPOUND_NUMBER> (442)
WAY-296837-A

>  <LOCATION_CODE> (442)
PTNCS

>  <AMOUNT_CURRENT> (442)
33.1

$$$$
WAY-296994-A
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.1483    0.3966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4483   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4483    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483   -0.1276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -1.0483    0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
  8 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C17H27NO

>  <MolWeight> (443)
261.40238

>  <PCAT_CMPD_ID> (443)
WAY-296994-A

>  <CNC_ID> (443)
359343438

>  <transfer_container_id> (443)
PTN000000068

>  <COMPOUND_NUMBER> (443)
WAY-296994-A

>  <LOCATION_CODE> (443)
PTNCS

>  <AMOUNT_CURRENT> (443)
33.4

$$$$
WAY-296996
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4966    0.4103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6966    0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  5  8  1  0  0  0  0
 15 17  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (444)
444

>  <Formula> (444)
C22H25NO4

>  <MolWeight> (444)
367.4382

>  <PCAT_CMPD_ID> (444)
WAY-296996

>  <CNC_ID> (444)
359343440

>  <transfer_container_id> (444)
PTN000000068

>  <COMPOUND_NUMBER> (444)
WAY-296996

>  <LOCATION_CODE> (444)
PTNCS

>  <AMOUNT_CURRENT> (444)
33.3

$$$$
WAY-297012
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  5 10  1  0  0  0  0
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 11 13  1  0  0  0  0
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 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
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (445)
445

>  <Formula> (445)
C17H11ClO3

>  <MolWeight> (445)
298.72044

>  <PCAT_CMPD_ID> (445)
WAY-297012

>  <CNC_ID> (445)
359343456

>  <transfer_container_id> (445)
PTN000000068

>  <COMPOUND_NUMBER> (445)
WAY-297012

>  <LOCATION_CODE> (445)
PTNCS

>  <AMOUNT_CURRENT> (445)
33.4

$$$$
WAY-297048
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  7  9  2  0  0  0  0
 12 15  1  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (446)
446

>  <Formula> (446)
C19H13NO2

>  <MolWeight> (446)
287.31202

>  <PCAT_CMPD_ID> (446)
WAY-297048

>  <CNC_ID> (446)
359343492

>  <transfer_container_id> (446)
PTN000000068

>  <COMPOUND_NUMBER> (446)
WAY-297048

>  <LOCATION_CODE> (446)
PTNCS

>  <AMOUNT_CURRENT> (446)
33.3

$$$$
WAY-297061
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.3483    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    1.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  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
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 12 14  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (447)
447

>  <Formula> (447)
C19H13NO2

>  <MolWeight> (447)
287.31202

>  <PCAT_CMPD_ID> (447)
WAY-297061

>  <CNC_ID> (447)
359343505

>  <transfer_container_id> (447)
PTN000000068

>  <COMPOUND_NUMBER> (447)
WAY-297061

>  <LOCATION_CODE> (447)
PTNCS

>  <AMOUNT_CURRENT> (447)
33.5

$$$$
WAY-297072
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.7552    0.3379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9483    0.8655    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  1  0  0  0  0
  4  9  2  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
 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
  5  9  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C9H14N4O2S

>  <MolWeight> (448)
242.29806

>  <PCAT_CMPD_ID> (448)
WAY-297072

>  <CNC_ID> (448)
359343516

>  <transfer_container_id> (448)
PTN000000068

>  <COMPOUND_NUMBER> (448)
WAY-297072

>  <LOCATION_CODE> (448)
PTNCS

>  <AMOUNT_CURRENT> (448)
33.2

$$$$
WAY-297163
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.1759   -0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7 13  2  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
 15 17  1  0  0  0  0
 15 18  1  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
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (449)
449

>  <Formula> (449)
C15H8F3NO2S2

>  <MolWeight> (449)
355.3547296

>  <PCAT_CMPD_ID> (449)
WAY-297163

>  <CNC_ID> (449)
359343607

>  <transfer_container_id> (449)
PTN000000068

>  <COMPOUND_NUMBER> (449)
WAY-297163

>  <LOCATION_CODE> (449)
PTNCS

>  <AMOUNT_CURRENT> (449)
33.2

$$$$
WAY-297339
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.3793   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690   -0.1621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -1.8793   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    0.6586    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
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (450)
450

>  <Formula> (450)
C9H8ClNOS

>  <MolWeight> (450)
213.68392

>  <PCAT_CMPD_ID> (450)
WAY-297339

>  <CNC_ID> (450)
359343783

>  <transfer_container_id> (450)
PTN000000068

>  <COMPOUND_NUMBER> (450)
WAY-297339

>  <LOCATION_CODE> (450)
PTNCS

>  <AMOUNT_CURRENT> (450)
33.1

$$$$
WAY-349674
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.6625   -8.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4167   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13 11  1  0  0  0  0
 14 16  1  0  0  0  0
 15  7  2  0  0  0  0
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 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
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 20  5  2  0  0  0  0
 21  8  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
  4  8  1  0  0  0  0
 23 21  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C15H10ClFN4O2

>  <MolWeight> (451)
332.7169032

>  <PCAT_CMPD_ID> (451)
WAY-349674

>  <CNC_ID> (451)
359437452

>  <transfer_container_id> (451)
PTN000000075

>  <COMPOUND_NUMBER> (451)
WAY-349674

>  <LOCATION_CODE> (451)
PTNCS

>  <AMOUNT_CURRENT> (451)
32.4

$$$$
WAY-626331
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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 13  3  2  0  0  0  0
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 15 20  1  0  0  0  0
 16  8  1  0  0  0  0
 17 15  1  0  0  0  0
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 19  6  1  0  0  0  0
 20 25  1  0  0  0  0
 21  9  1  0  0  0  0
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 25 22  1  0  0  0  0
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  6  4  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C19H22N2O2S2

>  <MolWeight> (452)
374.52018

>  <PCAT_CMPD_ID> (452)
WAY-626331

>  <CNC_ID> (452)
359335139

>  <transfer_container_id> (452)
PTN000000067

>  <COMPOUND_NUMBER> (452)
WAY-626331

>  <LOCATION_CODE> (452)
PTNCS

>  <AMOUNT_CURRENT> (452)
32.4

$$$$
WAY-627437
csChFnd80/10101909502D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11 17  1  0  0  0  0
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 13  4  2  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16  3  2  0  0  0  0
 17 19  1  0  0  0  0
 18  4  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 24  2  0  0  0  0
 23 20  2  0  0  0  0
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 25 22  1  0  0  0  0
 26 18  2  0  0  0  0
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 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
 10 13  1  0  0  0  0
 14  5  1  0  0  0  0
 31 30  2  0  0  0  0
  9  8  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C22H16N4O3S2

>  <MolWeight> (453)
448.51744

>  <PCAT_CMPD_ID> (453)
WAY-627437

>  <CNC_ID> (453)
359336241

>  <transfer_container_id> (453)
PTN000000067

>  <COMPOUND_NUMBER> (453)
WAY-627437

>  <LOCATION_CODE> (453)
PTNCS

>  <AMOUNT_CURRENT> (453)
32.5

$$$$
WAY-644493
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  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  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 17  2  0  0  0  0
  3  4  1  0  0  0  0
  8  7  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C15H16N4

>  <MolWeight> (454)
252.31434

>  <PCAT_CMPD_ID> (454)
WAY-644493

>  <CNC_ID> (454)
359337165

>  <transfer_container_id> (454)
PTN000000067

>  <COMPOUND_NUMBER> (454)
WAY-644493

>  <LOCATION_CODE> (454)
PTNCS

>  <AMOUNT_CURRENT> (454)
33

$$$$
WAY-645295
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  9  2  0  0  0  0
 12  4  2  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15 17  2  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20  5  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 21  2  0  0  0  0
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 25 14  1  0  0  0  0
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 27 24  1  0  0  0  0
  3  5  1  0  0  0  0
 11 15  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C21H22N2O4

>  <MolWeight> (455)
366.41038

>  <PCAT_CMPD_ID> (455)
WAY-645295

>  <CNC_ID> (455)
359337967

>  <transfer_container_id> (455)
PTN000000067

>  <COMPOUND_NUMBER> (455)
WAY-645295

>  <LOCATION_CODE> (455)
PTNCS

>  <AMOUNT_CURRENT> (455)
32.5

$$$$
WAY-645650
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  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
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 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
  7  5  1  0  0  0  0
 11  4  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (456)
456

>  <Formula> (456)
C14H11F3N4OS2

>  <MolWeight> (456)
372.3885496

>  <PCAT_CMPD_ID> (456)
WAY-645650

>  <CNC_ID> (456)
359338322

>  <transfer_container_id> (456)
PTN000000067

>  <COMPOUND_NUMBER> (456)
WAY-645650

>  <LOCATION_CODE> (456)
PTNCS

>  <AMOUNT_CURRENT> (456)
32.2

$$$$
WAY-646754
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    3.9000    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  8  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  9  2  0  0  0  0
  9  1  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 12  5  2  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  2  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  3  1  0  0  0  0
 22  4  1  0  0  0  0
  2  4  1  0  0  0  0
 16 15  2  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (457)
457

>  <Formula> (457)
C17H21N3O2

>  <MolWeight> (457)
299.36754

>  <PCAT_CMPD_ID> (457)
WAY-646754

>  <CNC_ID> (457)
359339427

>  <transfer_container_id> (457)
PTN000000067

>  <COMPOUND_NUMBER> (457)
WAY-646754

>  <LOCATION_CODE> (457)
PTNCS

>  <AMOUNT_CURRENT> (457)
32.4

$$$$
WAY-277914
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.1500    1.2875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    2.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9 14  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 18  1  0  0  0  0
 15 22  1  0  0  0  0
 16  1  1  0  0  0  0
 17  4  1  0  0  0  0
 18 16  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  5  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 13  2  0  0  0  0
 25 13  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  2  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
  4  2  1  0  0  0  0
 26 17  2  0  0  0  0
 30 28  2  0  0  0  0
 15 23  1  0  0  0  0
M  END
>  <Mol_ID> (458)
458

>  <Formula> (458)
C23H25N3O3S

>  <MolWeight> (458)
423.5279

>  <PCAT_CMPD_ID> (458)
WAY-277914

>  <CNC_ID> (458)
359342459

>  <transfer_container_id> (458)
PTN000000068

>  <COMPOUND_NUMBER> (458)
WAY-277914

>  <LOCATION_CODE> (458)
PTNCS

>  <AMOUNT_CURRENT> (458)
32.5

$$$$
WAY-611686
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.6750    0.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0417   -1.6042    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  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  5  2  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  2  0  0  0  0
 14 18  1  0  0  0  0
 15  4  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 16  2  0  0  0  0
 19 23  2  0  0  0  0
 20 22  1  0  0  0  0
 21  8  1  0  0  0  0
 22 11  2  0  0  0  0
 23 16  1  0  0  0  0
 24 14  1  0  0  0  0
 25 20  1  0  0  0  0
 26 17  1  0  0  0  0
 27 24  1  0  0  0  0
  6  5  1  0  0  0  0
 20 12  2  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C18H12Cl2N2O4S

>  <MolWeight> (459)
423.26988

>  <PCAT_CMPD_ID> (459)
WAY-611686

>  <CNC_ID> (459)
359347589

>  <transfer_container_id> (459)
PTN000000068

>  <COMPOUND_NUMBER> (459)
WAY-611686

>  <LOCATION_CODE> (459)
PTNCS

>  <AMOUNT_CURRENT> (459)
32.4

$$$$
WAY-611958
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5000    1.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    0.6333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    1.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  2  0  0  0  0
  3  5  2  0  0  0  0
 21 18  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (460)
460

>  <Formula> (460)
C16H14N4O2

>  <MolWeight> (460)
294.30796

>  <PCAT_CMPD_ID> (460)
WAY-611958

>  <CNC_ID> (460)
359347860

>  <transfer_container_id> (460)
PTN000000068

>  <COMPOUND_NUMBER> (460)
WAY-611958

>  <LOCATION_CODE> (460)
PTNCS

>  <AMOUNT_CURRENT> (460)
32.8

$$$$
WAY-629060
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.0083   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9 13  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  2  0  0  0  0
 12  1  2  0  0  0  0
 13 19  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20  5  1  0  0  0  0
 21 20  1  0  0  0  0
 22  9  1  0  0  0  0
  6 15  1  0  0  0  0
  9  5  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C17H23N3O2

>  <MolWeight> (461)
301.38342

>  <PCAT_CMPD_ID> (461)
WAY-629060

>  <CNC_ID> (461)
359350210

>  <transfer_container_id> (461)
PTN000000068

>  <COMPOUND_NUMBER> (461)
WAY-629060

>  <LOCATION_CODE> (461)
PTNCS

>  <AMOUNT_CURRENT> (461)
32.2

$$$$
WAY-629298
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.3875   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
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 14  4  1  0  0  0  0
 15  2  1  0  0  0  0
 16  4  2  0  0  0  0
 17  4  2  0  0  0  0
 18 19  2  0  0  0  0
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 20 15  1  0  0  0  0
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 23 21  1  0  0  0  0
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 26  7  1  0  0  0  0
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 11  8  1  0  0  0  0
 10 13  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C21H21FN4O3S

>  <MolWeight> (462)
428.4798432

>  <PCAT_CMPD_ID> (462)
WAY-629298

>  <CNC_ID> (462)
359350448

>  <transfer_container_id> (462)
PTN000000068

>  <COMPOUND_NUMBER> (462)
WAY-629298

>  <LOCATION_CODE> (462)
PTNCS

>  <AMOUNT_CURRENT> (462)
33

$$$$
WAY-630059
csChFnd80/10101909502D

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  3  2  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
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  9 22  2  0  0  0  0
 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
 16  6  2  0  0  0  0
 17  3  2  0  0  0  0
 18 19  2  0  0  0  0
 19  6  1  0  0  0  0
 20  5  1  0  0  0  0
 21  5  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
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  7 18  1  0  0  0  0
M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C16H17N3O3S

>  <MolWeight> (463)
331.38948

>  <PCAT_CMPD_ID> (463)
WAY-630059

>  <CNC_ID> (463)
359351209

>  <transfer_container_id> (463)
PTN000000068

>  <COMPOUND_NUMBER> (463)
WAY-630059

>  <LOCATION_CODE> (463)
PTNCS

>  <AMOUNT_CURRENT> (463)
32.6

$$$$
WAY-647771
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
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 13  3  1  0  0  0  0
 14  3  2  0  0  0  0
 15  9  2  0  0  0  0
 16 10  1  0  0  0  0
 17 20  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 16  2  0  0  0  0
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 22  9  1  0  0  0  0
  7  5  2  0  0  0  0
 17  8  2  0  0  0  0
M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C15H13ClFNO4

>  <MolWeight> (464)
325.7194232

>  <PCAT_CMPD_ID> (464)
WAY-647771

>  <CNC_ID> (464)
359352149

>  <transfer_container_id> (464)
PTN000000068

>  <COMPOUND_NUMBER> (464)
WAY-647771

>  <LOCATION_CODE> (464)
PTNCS

>  <AMOUNT_CURRENT> (464)
32.6

$$$$
WAY-647875
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 12  1  2  0  0  0  0
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 15  8  2  0  0  0  0
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 24  5  1  0  0  0  0
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  4  5  1  0  0  0  0
 17 20  2  0  0  0  0
 30 28  1  0  0  0  0
 14  7  2  0  0  0  0
M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C20H20N2O7S

>  <MolWeight> (465)
432.447

>  <PCAT_CMPD_ID> (465)
WAY-647875

>  <CNC_ID> (465)
359352253

>  <transfer_container_id> (465)
PTN000000068

>  <COMPOUND_NUMBER> (465)
WAY-647875

>  <LOCATION_CODE> (465)
PTNCS

>  <AMOUNT_CURRENT> (465)
32.4

$$$$
WAY-631876
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 15  3  2  0  0  0  0
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M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C20H18N2O3

>  <MolWeight> (466)
334.36852

>  <PCAT_CMPD_ID> (466)
WAY-631876

>  <CNC_ID> (466)
359364396

>  <transfer_container_id> (466)
PTN000000069

>  <COMPOUND_NUMBER> (466)
WAY-631876

>  <LOCATION_CODE> (466)
PTNCS

>  <AMOUNT_CURRENT> (466)
32.8

$$$$
WAY-649738
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
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 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
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 17 20  2  0  0  0  0
 18 14  1  0  0  0  0
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 23 10  1  0  0  0  0
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 25 22  1  0  0  0  0
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 17 21  1  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (467)
467

>  <Formula> (467)
C18H24N4OS2

>  <MolWeight> (467)
376.53936

>  <PCAT_CMPD_ID> (467)
WAY-649738

>  <CNC_ID> (467)
359365445

>  <transfer_container_id> (467)
PTN000000069

>  <COMPOUND_NUMBER> (467)
WAY-649738

>  <LOCATION_CODE> (467)
PTNCS

>  <AMOUNT_CURRENT> (467)
32.3

$$$$
WAY-270604
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.8500    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  6  1  0  0  0  0
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  9  3  1  0  0  0  0
 10  1  2  0  0  0  0
 11  9  2  0  0  0  0
 12  4  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16  2  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 19 17  2  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C15H10ClNOS

>  <MolWeight> (468)
287.764

>  <PCAT_CMPD_ID> (468)
WAY-270604

>  <CNC_ID> (468)
359369433

>  <transfer_container_id> (468)
PTN000000070

>  <COMPOUND_NUMBER> (468)
WAY-270604

>  <LOCATION_CODE> (468)
PTNCS

>  <AMOUNT_CURRENT> (468)
32.5

$$$$
WAY-270614
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4618    1.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (469)
469

>  <Formula> (469)
C17H12FNO4S

>  <MolWeight> (469)
345.3448832

>  <PCAT_CMPD_ID> (469)
WAY-270614

>  <CNC_ID> (469)
359369443

>  <transfer_container_id> (469)
PTN000000070

>  <COMPOUND_NUMBER> (469)
WAY-270614

>  <LOCATION_CODE> (469)
PTNCS

>  <AMOUNT_CURRENT> (469)
32.5

$$$$
WAY-615777
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.4083   -1.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 10  1  0  0  0  0
 19 21  2  0  0  0  0
 20  3  1  0  0  0  0
 21 17  1  0  0  0  0
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 23 19  1  0  0  0  0
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 25 24  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (470)
470

>  <Formula> (470)
C18H17FN2O4

>  <MolWeight> (470)
344.3369832

>  <PCAT_CMPD_ID> (470)
WAY-615777

>  <CNC_ID> (470)
359376499

>  <transfer_container_id> (470)
PTN000000070

>  <COMPOUND_NUMBER> (470)
WAY-615777

>  <LOCATION_CODE> (470)
PTNCS

>  <AMOUNT_CURRENT> (470)
32.3

$$$$
WAY-652637
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
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 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  2  0  0  0  0
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 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (471)
471

>  <Formula> (471)
C10H9N3O3

>  <MolWeight> (471)
219.19676

>  <PCAT_CMPD_ID> (471)
WAY-652637

>  <CNC_ID> (471)
359379518

>  <transfer_container_id> (471)
PTN000000070

>  <COMPOUND_NUMBER> (471)
WAY-652637

>  <LOCATION_CODE> (471)
PTNCS

>  <AMOUNT_CURRENT> (471)
32.1

$$$$
WAY-652648
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11 14  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 18  2  0  0  0  0
 18  7  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  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  2  0  0  0  0
 19 14  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (472)
472

>  <Formula> (472)
C20H16O3S

>  <MolWeight> (472)
336.40424

>  <PCAT_CMPD_ID> (472)
WAY-652648

>  <CNC_ID> (472)
359379529

>  <transfer_container_id> (472)
PTN000000070

>  <COMPOUND_NUMBER> (472)
WAY-652648

>  <LOCATION_CODE> (472)
PTNCS

>  <AMOUNT_CURRENT> (472)
32.7

$$$$
WAY-606267-A
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 20  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 24  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
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 21 10  1  0  0  0  0
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 23 22  1  0  0  0  0
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 25 18  1  0  0  0  0
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 16 18  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (473)
473

>  <Formula> (473)
C16H20ClN3O3S2

>  <MolWeight> (473)
401.9313

>  <PCAT_CMPD_ID> (473)
WAY-606267-A

>  <CNC_ID> (473)
359414688

>  <transfer_container_id> (473)
PTN000000073

>  <COMPOUND_NUMBER> (473)
WAY-606267-A

>  <LOCATION_CODE> (473)
PTNCS

>  <AMOUNT_CURRENT> (473)
32

$$$$
WAY-606436
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.5000    1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  2  0  0  0  0
  6  7  1  0  0  0  0
  7  3  2  0  0  0  0
  8  1  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 13 11  2  0  0  0  0
 12 10  2  0  0  0  0
M  END
>  <Mol_ID> (474)
474

>  <Formula> (474)
C7H6N4S2

>  <MolWeight> (474)
210.27934

>  <PCAT_CMPD_ID> (474)
WAY-606436

>  <CNC_ID> (474)
359414857

>  <transfer_container_id> (474)
PTN000000073

>  <COMPOUND_NUMBER> (474)
WAY-606436

>  <LOCATION_CODE> (474)
PTNCS

>  <AMOUNT_CURRENT> (474)
32.8

$$$$
WAY-607595
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
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 15 13  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  2  0  0  0  0
 18 14  1  0  0  0  0
 19  3  1  0  0  0  0
 20  9  1  0  0  0  0
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 23 20  1  0  0  0  0
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 25 24  1  0  0  0  0
  3  4  2  0  0  0  0
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 12 22  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (475)
475

>  <Formula> (475)
C19H19NO3S2

>  <MolWeight> (475)
373.48906

>  <PCAT_CMPD_ID> (475)
WAY-607595

>  <CNC_ID> (475)
359416016

>  <transfer_container_id> (475)
PTN000000073

>  <COMPOUND_NUMBER> (475)
WAY-607595

>  <LOCATION_CODE> (475)
PTNCS

>  <AMOUNT_CURRENT> (475)
32.9

$$$$
CL-422798
csChFnd80/10101909502D

 18 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
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 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
  9  8  2  0  0  0  0
  4  5  2  0  0  0  0
 15 14  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (476)
476

>  <Formula> (476)
C14H20N4

>  <MolWeight> (476)
244.3354

>  <PCAT_CMPD_ID> (476)
CL-422798

>  <CNC_ID> (476)
359420015

>  <transfer_container_id> (476)
PTN000000074

>  <COMPOUND_NUMBER> (476)
CL-422798

>  <LOCATION_CODE> (476)
PTNCS

>  <AMOUNT_CURRENT> (476)
32.3

$$$$
WAY-639929
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  2  0  0  0  0
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 19  8  1  0  0  0  0
 20 10  2  0  0  0  0
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 23 21  1  0  0  0  0
  9  5  1  0  0  0  0
 16 18  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (477)
477

>  <Formula> (477)
C15H13N5O2S

>  <MolWeight> (477)
327.36102

>  <PCAT_CMPD_ID> (477)
WAY-639929

>  <CNC_ID> (477)
359429980

>  <transfer_container_id> (477)
PTN000000074

>  <COMPOUND_NUMBER> (477)
WAY-639929

>  <LOCATION_CODE> (477)
PTNCS

>  <AMOUNT_CURRENT> (477)
32.4

$$$$
WAY-641050
csChFnd80/10101909502D

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 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (478)
478

>  <Formula> (478)
C12H13N5O5S

>  <MolWeight> (478)
339.32712

>  <PCAT_CMPD_ID> (478)
WAY-641050

>  <CNC_ID> (478)
359431101

>  <transfer_container_id> (478)
PTN000000074

>  <COMPOUND_NUMBER> (478)
WAY-641050

>  <LOCATION_CODE> (478)
PTNCS

>  <AMOUNT_CURRENT> (478)
32

$$$$
WAY-312414
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (479)
479

>  <Formula> (479)
C14H16N2O2S

>  <MolWeight> (479)
276.35404

>  <PCAT_CMPD_ID> (479)
WAY-312414

>  <CNC_ID> (479)
359316154

>  <transfer_container_id> (479)
PTN000000065

>  <COMPOUND_NUMBER> (479)
WAY-312414

>  <LOCATION_CODE> (479)
PTNCS

>  <AMOUNT_CURRENT> (479)
33.2

$$$$
WL-231878
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (480)
480

>  <Formula> (480)
C11H10N2S

>  <MolWeight> (480)
202.2755

>  <PCAT_CMPD_ID> (480)
WL-231878

>  <CNC_ID> (480)
359326676

>  <transfer_container_id> (480)
PTN000000065

>  <COMPOUND_NUMBER> (480)
WL-231878

>  <LOCATION_CODE> (480)
PTNCS

>  <AMOUNT_CURRENT> (480)
33.2

$$$$
WAY-340013
csChFnd80/10101909502D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 14  9  2  0  0  0  0
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (481)
481

>  <Formula> (481)
C28H22Cl2N2O2

>  <MolWeight> (481)
489.39248

>  <PCAT_CMPD_ID> (481)
WAY-340013

>  <CNC_ID> (481)
359318865

>  <transfer_container_id> (481)
PTN000000065

>  <COMPOUND_NUMBER> (481)
WAY-340013

>  <LOCATION_CODE> (481)
PTNCS

>  <AMOUNT_CURRENT> (481)
32.8

$$$$
CL-237262
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (482)
482

>  <Formula> (482)
C18H15NO3

>  <MolWeight> (482)
293.3166

>  <PCAT_CMPD_ID> (482)
CL-237262

>  <CNC_ID> (482)
359313564

>  <transfer_container_id> (482)
PTN000000065

>  <COMPOUND_NUMBER> (482)
CL-237262

>  <LOCATION_CODE> (482)
PTNCS

>  <AMOUNT_CURRENT> (482)
33.4

$$$$
WAY-340006
csChFnd80/10101909502D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  3  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13 14  1  0  0  0  0
 14  7  1  0  0  0  0
 13  8  1  0  0  0  0
M  END
>  <Mol_ID> (483)
483

>  <Formula> (483)
C8H12O6

>  <MolWeight> (483)
204.17728

>  <PCAT_CMPD_ID> (483)
WAY-340006

>  <CNC_ID> (483)
359318858

>  <transfer_container_id> (483)
PTN000000065

>  <COMPOUND_NUMBER> (483)
WAY-340006

>  <LOCATION_CODE> (483)
PTNCS

>  <AMOUNT_CURRENT> (483)
33

$$$$
WAY-340153
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6625    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
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  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  2  0  0  0  0
 15 10  2  0  0  0  0
 16 18  2  0  0  0  0
 17  4  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 14  1  0  0  0  0
 22 16  1  0  0  0  0
  8  9  1  0  0  0  0
  6  5  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (484)
484

>  <Formula> (484)
C17H16N2OS2

>  <MolWeight> (484)
328.45174

>  <PCAT_CMPD_ID> (484)
WAY-340153

>  <CNC_ID> (484)
359318894

>  <transfer_container_id> (484)
PTN000000065

>  <COMPOUND_NUMBER> (484)
WAY-340153

>  <LOCATION_CODE> (484)
PTNCS

>  <AMOUNT_CURRENT> (484)
32.5

$$$$
WAY-312390
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7586    0.7759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 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
 10 11  2  0  0  0  0
 15 16  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (485)
485

>  <Formula> (485)
C15H12ClN3O2S

>  <MolWeight> (485)
333.79268

>  <PCAT_CMPD_ID> (485)
WAY-312390

>  <CNC_ID> (485)
359316130

>  <transfer_container_id> (485)
PTN000000065

>  <COMPOUND_NUMBER> (485)
WAY-312390

>  <LOCATION_CODE> (485)
PTNCS

>  <AMOUNT_CURRENT> (485)
33.4

$$$$
WAY-344341
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16 13  1  0  0  0  0
  8  9  1  0  0  0  0
  7  3  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (486)
486

>  <Formula> (486)
C10H6N2OS3

>  <MolWeight> (486)
266.36244

>  <PCAT_CMPD_ID> (486)
WAY-344341

>  <CNC_ID> (486)
359319676

>  <transfer_container_id> (486)
PTN000000065

>  <COMPOUND_NUMBER> (486)
WAY-344341

>  <LOCATION_CODE> (486)
PTNCS

>  <AMOUNT_CURRENT> (486)
32.7

$$$$
WAY-311312
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.7000   -0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  4 10  1  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
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 17 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (487)
487

>  <Formula> (487)
C15H15N3O3S

>  <MolWeight> (487)
317.3629

>  <PCAT_CMPD_ID> (487)
WAY-311312

>  <CNC_ID> (487)
359315053

>  <transfer_container_id> (487)
PTN000000065

>  <COMPOUND_NUMBER> (487)
WAY-311312

>  <LOCATION_CODE> (487)
PTNCS

>  <AMOUNT_CURRENT> (487)
33.8

$$$$
WAY-312467
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
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 18 23  1  0  0  0  0
  9 10  2  0  0  0  0
 14 19  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (488)
488

>  <Formula> (488)
C19H14N2O2

>  <MolWeight> (488)
302.32666

>  <PCAT_CMPD_ID> (488)
WAY-312467

>  <CNC_ID> (488)
359316207

>  <transfer_container_id> (488)
PTN000000065

>  <COMPOUND_NUMBER> (488)
WAY-312467

>  <LOCATION_CODE> (488)
PTNCS

>  <AMOUNT_CURRENT> (488)
33.6

$$$$
WAY-311059
csChFnd80/10101909502D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 23 28  1  0  0  0  0
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 16 18  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (489)
489

>  <Formula> (489)
C25H25N5O4S

>  <MolWeight> (489)
491.5621

>  <PCAT_CMPD_ID> (489)
WAY-311059

>  <CNC_ID> (489)
359314801

>  <transfer_container_id> (489)
PTN000000065

>  <COMPOUND_NUMBER> (489)
WAY-311059

>  <LOCATION_CODE> (489)
PTNCS

>  <AMOUNT_CURRENT> (489)
33.1

$$$$
WAY-224507
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  4  2  0  0  0  0
 12  2  2  0  0  0  0
 13 12  1  0  0  0  0
 14 21  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  1  0  0  0  0
 17 10  1  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  2  0  0  0  0
 21 22  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
  5  9  1  0  0  0  0
 23 17  2  0  0  0  0
M  END
>  <Mol_ID> (490)
490

>  <Formula> (490)
C15H13BrClN3O3

>  <MolWeight> (490)
398.63902

>  <PCAT_CMPD_ID> (490)
WAY-224507

>  <CNC_ID> (490)
359313845

>  <transfer_container_id> (490)
PTN000000065

>  <COMPOUND_NUMBER> (490)
WAY-224507

>  <LOCATION_CODE> (490)
PTNCS

>  <AMOUNT_CURRENT> (490)
33.8

$$$$
WAY-311913
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.0552   -0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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  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
 10 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
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 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
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C20H23ClN2O3

>  <MolWeight> (491)
374.86122

>  <PCAT_CMPD_ID> (491)
WAY-311913

>  <CNC_ID> (491)
359315654

>  <transfer_container_id> (491)
PTN000000065

>  <COMPOUND_NUMBER> (491)
WAY-311913

>  <LOCATION_CODE> (491)
PTNCS

>  <AMOUNT_CURRENT> (491)
33.4

$$$$
WAY-312518
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.6069    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
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 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (492)
492

>  <Formula> (492)
C18H18ClN3O4

>  <MolWeight> (492)
375.80622

>  <PCAT_CMPD_ID> (492)
WAY-312518

>  <CNC_ID> (492)
359316257

>  <transfer_container_id> (492)
PTN000000065

>  <COMPOUND_NUMBER> (492)
WAY-312518

>  <LOCATION_CODE> (492)
PTNCS

>  <AMOUNT_CURRENT> (492)
33.8

$$$$
WAY-311146
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0034   -0.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  2  0  0  0  0
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  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
  7  9  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (493)
493

>  <Formula> (493)
C12H14N2

>  <MolWeight> (493)
186.25296

>  <PCAT_CMPD_ID> (493)
WAY-311146

>  <CNC_ID> (493)
359314887

>  <transfer_container_id> (493)
PTN000000065

>  <COMPOUND_NUMBER> (493)
WAY-311146

>  <LOCATION_CODE> (493)
PTNCS

>  <AMOUNT_CURRENT> (493)
33.2

$$$$
WAY-342694
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.7250   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4042   -3.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7250   -6.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000   -2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0917   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6375   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6625   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500   -4.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -6.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0750    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0292   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7792    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6750   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1667    6.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5792    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4792    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0417   -6.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2792    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0667   -5.3125    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  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  2  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  2  0  0  0  0
 15 10  1  0  0  0  0
 16  4  2  0  0  0  0
 17 23  2  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  2  0  0  0  0
 21 15  1  0  0  0  0
 22 15  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25  3  1  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28 19  1  0  0  0  0
 29 19  1  0  0  0  0
  8  6  1  0  0  0  0
 12 10  2  0  0  0  0
 24 17  1  0  0  0  0
M  END
>  <Mol_ID> (494)
494

>  <Formula> (494)
C22H24N2O4S

>  <MolWeight> (494)
412.50196

>  <PCAT_CMPD_ID> (494)
WAY-342694

>  <CNC_ID> (494)
359318948

>  <transfer_container_id> (494)
PTN000000065

>  <COMPOUND_NUMBER> (494)
WAY-342694

>  <LOCATION_CODE> (494)
PTNCS

>  <AMOUNT_CURRENT> (494)
32.3

$$$$
WAY-113612
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.3242   -0.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0758    0.4753    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3008    0.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9992    0.5961    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  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  2  0  0  0  0
  8 11  2  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15 16  2  0  0  0  0
 16 14  1  0  0  0  0
  5  4  1  0  0  0  0
  8 15  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (495)
495

>  <Formula> (495)
C12H9N3O

>  <MolWeight> (495)
211.21936

>  <PCAT_CMPD_ID> (495)
WAY-113612

>  <CNC_ID> (495)
359313688

>  <transfer_container_id> (495)
PTN000000065

>  <COMPOUND_NUMBER> (495)
WAY-113612

>  <LOCATION_CODE> (495)
PTNCS

>  <AMOUNT_CURRENT> (495)
33.6

$$$$
WAY-345890
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.1000   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1000   -3.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
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  8 13  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15  2  1  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 10  1  0  0  0  0
 20  9  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
  3  7  1  0  0  0  0
 14  8  1  0  0  0  0
 17 22  2  0  0  0  0
 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (496)
496

>  <Formula> (496)
C20H24N4

>  <MolWeight> (496)
320.43136

>  <PCAT_CMPD_ID> (496)
WAY-345890

>  <CNC_ID> (496)
359320890

>  <transfer_container_id> (496)
PTN000000065

>  <COMPOUND_NUMBER> (496)
WAY-345890

>  <LOCATION_CODE> (496)
PTNCS

>  <AMOUNT_CURRENT> (496)
32.9

$$$$
WAY-118726-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.2551    0.3177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8968    0.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8032   -0.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343    0.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5032   -1.3240    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.2551    1.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 11  1  0  0  0  0
  3  7  2  0  0  0  0
  4 12  1  0  0  0  0
  5  3  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
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 10  6  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  1  0  0  0  0
 13  1  1  0  0  0  0
 14 17  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 14  2  2  0  0  0  0
  3  8  1  0  0  0  0
M  END
>  <Mol_ID> (497)
497

>  <Formula> (497)
C14H15ClN2

>  <MolWeight> (497)
246.7353

>  <PCAT_CMPD_ID> (497)
WAY-118726-A

>  <CNC_ID> (497)
359313742

>  <transfer_container_id> (497)
PTN000000065

>  <COMPOUND_NUMBER> (497)
WAY-118726-A

>  <LOCATION_CODE> (497)
PTNCS

>  <AMOUNT_CURRENT> (497)
33.4

$$$$
WAY-313344
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.9888    1.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7302    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
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  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  9 10  2  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (498)
498

>  <Formula> (498)
C15H13NO4

>  <MolWeight> (498)
271.26802

>  <PCAT_CMPD_ID> (498)
WAY-313344

>  <CNC_ID> (498)
359328380

>  <transfer_container_id> (498)
PTN000000067

>  <COMPOUND_NUMBER> (498)
WAY-313344

>  <LOCATION_CODE> (498)
PTNCS

>  <AMOUNT_CURRENT> (498)
33.1

$$$$
WAY-311561
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 23  2  0  0  0  0
 19 24  2  0  0  0  0
 23 25  1  0  0  0  0
  9 13  2  0  0  0  0
 15 20  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (499)
499

>  <Formula> (499)
C21H17N3O

>  <MolWeight> (499)
327.37918

>  <PCAT_CMPD_ID> (499)
WAY-311561

>  <CNC_ID> (499)
359315302

>  <transfer_container_id> (499)
PTN000000065

>  <COMPOUND_NUMBER> (499)
WAY-311561

>  <LOCATION_CODE> (499)
PTNCS

>  <AMOUNT_CURRENT> (499)
33.5

$$$$
WAY-344682
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  9  2  2  0  0  0  0
 10 18  1  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 20  1  0  0  0  0
 18  7  1  0  0  0  0
 19  5  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22  2  1  0  0  0  0
 23  9  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
 13  9  1  0  0  0  0
 23 25  2  0  0  0  0
 17  6  2  0  0  0  0
M  END
>  <Mol_ID> (500)
500

>  <Formula> (500)
C18H15Cl2NO4

>  <MolWeight> (500)
380.222

>  <PCAT_CMPD_ID> (500)
WAY-344682

>  <CNC_ID> (500)
359319994

>  <transfer_container_id> (500)
PTN000000065

>  <COMPOUND_NUMBER> (500)
WAY-344682

>  <LOCATION_CODE> (500)
PTNCS

>  <AMOUNT_CURRENT> (500)
32.6

$$$$
WAY-345102
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.6417   -4.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3 11  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
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  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
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 10  8  2  0  0  0  0
 11 15  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  2  0  0  0  0
 19  1  1  0  0  0  0
 20  4  1  0  0  0  0
 21  9  1  0  0  0  0
 22 16  2  0  0  0  0
 23 12  2  0  0  0  0
 24 23  1  0  0  0  0
 25 14  1  0  0  0  0
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 27 22  1  0  0  0  0
  7 10  1  0  0  0  0
 26 22  1  0  0  0  0
  9  5  2  0  0  0  0
M  END
>  <Mol_ID> (501)
501

>  <Formula> (501)
C20H22N4O2S

>  <MolWeight> (501)
382.47928

>  <PCAT_CMPD_ID> (501)
WAY-345102

>  <CNC_ID> (501)
359320410

>  <transfer_container_id> (501)
PTN000000065

>  <COMPOUND_NUMBER> (501)
WAY-345102

>  <LOCATION_CODE> (501)
PTNCS

>  <AMOUNT_CURRENT> (501)
32.6

$$$$
WAY-312055
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1000    0.5483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 20  2  0  0  0  0
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 24 26  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (502)
502

>  <Formula> (502)
C22H25NO3

>  <MolWeight> (502)
351.4388

>  <PCAT_CMPD_ID> (502)
WAY-312055

>  <CNC_ID> (502)
359315796

>  <transfer_container_id> (502)
PTN000000065

>  <COMPOUND_NUMBER> (502)
WAY-312055

>  <LOCATION_CODE> (502)
PTNCS

>  <AMOUNT_CURRENT> (502)
33.1

$$$$
WAY-312519
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  2  0  0  0  0
 14 16  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (503)
503

>  <Formula> (503)
C20H11Cl2N3O4

>  <MolWeight> (503)
428.22504

>  <PCAT_CMPD_ID> (503)
WAY-312519

>  <CNC_ID> (503)
359316258

>  <transfer_container_id> (503)
PTN000000065

>  <COMPOUND_NUMBER> (503)
WAY-312519

>  <LOCATION_CODE> (503)
PTNCS

>  <AMOUNT_CURRENT> (503)
33.8

$$$$
WAY-344653
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.4625   -4.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17  9  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20  1  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  2  0  0  0  0
 23 25  1  0  0  0  0
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 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
  3  5  1  0  0  0  0
 23 24  2  0  0  0  0
  7  8  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (504)
504

>  <Formula> (504)
C21H18FN3O2S

>  <MolWeight> (504)
395.4499232

>  <PCAT_CMPD_ID> (504)
WAY-344653

>  <CNC_ID> (504)
359319967

>  <transfer_container_id> (504)
PTN000000065

>  <COMPOUND_NUMBER> (504)
WAY-344653

>  <LOCATION_CODE> (504)
PTNCS

>  <AMOUNT_CURRENT> (504)
32.3

$$$$
WAY-345127
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 23 14  2  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
  5  4  1  0  0  0  0
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 25 21  2  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (505)
505

>  <Formula> (505)
C20H19N3OS

>  <MolWeight> (505)
349.44936

>  <PCAT_CMPD_ID> (505)
WAY-345127

>  <CNC_ID> (505)
359320430

>  <transfer_container_id> (505)
PTN000000065

>  <COMPOUND_NUMBER> (505)
WAY-345127

>  <LOCATION_CODE> (505)
PTNCS

>  <AMOUNT_CURRENT> (505)
32.4

$$$$
WAY-312002
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.4793    0.3862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
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 14 18  1  0  0  0  0
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 16 20  2  0  0  0  0
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  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (506)
506

>  <Formula> (506)
C21H22N2O3

>  <MolWeight> (506)
350.41098

>  <PCAT_CMPD_ID> (506)
WAY-312002

>  <CNC_ID> (506)
359315743

>  <transfer_container_id> (506)
PTN000000065

>  <COMPOUND_NUMBER> (506)
WAY-312002

>  <LOCATION_CODE> (506)
PTNCS

>  <AMOUNT_CURRENT> (506)
33.5

$$$$
WAY-310485
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 13  2  0  0  0  0
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 26 27  1  0  0  0  0
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 14 16  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (507)
507

>  <Formula> (507)
C19H21ClN2O4S

>  <MolWeight> (507)
408.89904

>  <PCAT_CMPD_ID> (507)
WAY-310485

>  <CNC_ID> (507)
359314226

>  <transfer_container_id> (507)
PTN000000065

>  <COMPOUND_NUMBER> (507)
WAY-310485

>  <LOCATION_CODE> (507)
PTNCS

>  <AMOUNT_CURRENT> (507)
33.4

$$$$
WAY-312528
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (508)
508

>  <Formula> (508)
C12H13ClO4

>  <MolWeight> (508)
256.68222

>  <PCAT_CMPD_ID> (508)
WAY-312528

>  <CNC_ID> (508)
359316267

>  <transfer_container_id> (508)
PTN000000065

>  <COMPOUND_NUMBER> (508)
WAY-312528

>  <LOCATION_CODE> (508)
PTNCS

>  <AMOUNT_CURRENT> (508)
33.6

$$$$
WAY-330071
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -5.1208    7.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1208    5.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2167    8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2167    3.9083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3042    7.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125    8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3042    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875    8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125    7.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   12.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2167   11.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750   11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875    8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   11.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875    7.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500    8.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500    7.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4042    8.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   14.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6875   12.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4042    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4250   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8250   11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5042    7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5042    5.1042    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  1  1  0  0  0  0
  7  5  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
 10 13  1  0  0  0  0
 11  3  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 16  1  0  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 19  5  1  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22  7  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
  4  7  1  0  0  0  0
 22 26  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (509)
509

>  <Formula> (509)
C18H17N3O5

>  <MolWeight> (509)
355.34468

>  <PCAT_CMPD_ID> (509)
WAY-330071

>  <CNC_ID> (509)
359317436

>  <transfer_container_id> (509)
PTN000000070

>  <COMPOUND_NUMBER> (509)
WAY-330071

>  <LOCATION_CODE> (509)
PTNCS

>  <AMOUNT_CURRENT> (509)
32.9

$$$$
WAY-344054
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.9917   -4.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9000   -4.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667   -5.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8917   -4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0042   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -2.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6417   -6.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5417   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  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  2  0  0  0  0
  7  5  1  0  0  0  0
  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16  8  2  0  0  0  0
 17 14  2  0  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  2  0  0  0  0
 21 20  1  0  0  0  0
 22 14  1  0  0  0  0
 23 21  2  0  0  0  0
 24 17  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
  6  2  1  0  0  0  0
 13 12  1  0  0  0  0
 26 19  2  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (510)
510

>  <Formula> (510)
C22H22N2O2

>  <MolWeight> (510)
346.42228

>  <PCAT_CMPD_ID> (510)
WAY-344054

>  <CNC_ID> (510)
359319391

>  <transfer_container_id> (510)
PTN000000065

>  <COMPOUND_NUMBER> (510)
WAY-344054

>  <LOCATION_CODE> (510)
PTNCS

>  <AMOUNT_CURRENT> (510)
32.3

$$$$
WAY-343947
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.5792   -5.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1917   -6.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -4.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9125   -6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5167   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9375   -7.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2000   -7.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6167   -5.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3417   -4.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6917   -6.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6917   -9.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4167   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000  -12.3292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   13.1875  -10.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7125  -10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9417  -11.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7167   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -5.8750    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  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  2  0  0  0  0
 15  4  1  0  0  0  0
 16 21  2  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  2  0  0  0  0
 24 22  2  0  0  0  0
 25 12  2  0  0  0  0
  5  4  2  0  0  0  0
 12 24  1  0  0  0  0
 25 23  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (511)
511

>  <Formula> (511)
C18H13ClN2O3S

>  <MolWeight> (511)
372.82542

>  <PCAT_CMPD_ID> (511)
WAY-343947

>  <CNC_ID> (511)
359319286

>  <transfer_container_id> (511)
PTN000000065

>  <COMPOUND_NUMBER> (511)
WAY-343947

>  <LOCATION_CODE> (511)
PTNCS

>  <AMOUNT_CURRENT> (511)
32.4

$$$$
WAY-346511
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   10.2625   -3.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417   -1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0625   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9667   -0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042   -5.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -0.9917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2625    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1667   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8500   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7375   -9.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5625  -11.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1167    2.0875    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
  3  5  1  0  0  0  0
 13 14  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (512)
512

>  <Formula> (512)
C16H14N2OS

>  <MolWeight> (512)
282.36016

>  <PCAT_CMPD_ID> (512)
WAY-346511

>  <CNC_ID> (512)
359320902

>  <transfer_container_id> (512)
PTN000000065

>  <COMPOUND_NUMBER> (512)
WAY-346511

>  <LOCATION_CODE> (512)
PTNCS

>  <AMOUNT_CURRENT> (512)
32.1

$$$$
WAY-313029
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.9897    0.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7897    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2621   -1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276    0.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897    0.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517   -0.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724    0.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    1.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586   -1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0724    0.1172    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  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
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  5 12  1  0  0  0  0
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  8 14  1  0  0  0  0
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 11 16  1  0  0  0  0
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 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
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 19 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
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
  6  9  1  0  0  0  0
 14 18  2  0  0  0  0
 17 20  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (513)
513

>  <Formula> (513)
C22H15N3O3

>  <MolWeight> (513)
369.3728

>  <PCAT_CMPD_ID> (513)
WAY-313029

>  <CNC_ID> (513)
359328066

>  <transfer_container_id> (513)
PTN000000067

>  <COMPOUND_NUMBER> (513)
WAY-313029

>  <LOCATION_CODE> (513)
PTNCS

>  <AMOUNT_CURRENT> (513)
33.6

$$$$
GI-525040
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1593   -0.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  5 10  1  0  0  0  0
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 10 15  2  0  0  0  0
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 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
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 17 21  2  0  0  0  0
  8 13  1  0  0  0  0
 12 15  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (514)
514

>  <Formula> (514)
C16H13N3O2

>  <MolWeight> (514)
279.29332

>  <PCAT_CMPD_ID> (514)
GI-525040

>  <CNC_ID> (514)
359326775

>  <transfer_container_id> (514)
PTN000000069

>  <COMPOUND_NUMBER> (514)
GI-525040

>  <LOCATION_CODE> (514)
PTNCS

>  <AMOUNT_CURRENT> (514)
32.4

$$$$
WAY-310547
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.7172   -0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
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 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (515)
515

>  <Formula> (515)
C11H12N2O2S

>  <MolWeight> (515)
236.29018

>  <PCAT_CMPD_ID> (515)
WAY-310547

>  <CNC_ID> (515)
359314288

>  <transfer_container_id> (515)
PTN000000065

>  <COMPOUND_NUMBER> (515)
WAY-310547

>  <LOCATION_CODE> (515)
PTNCS

>  <AMOUNT_CURRENT> (515)
33.2

$$$$
WAY-310452
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -0.6915   -0.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7081    1.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 20  8  1  0  0  0  0
 21 17  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  2  0  0  0  0
  4  2  1  0  0  0  0
 22 13  2  0  0  0  0
 18 20  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (516)
516

>  <Formula> (516)
C18H24N2O3

>  <MolWeight> (516)
316.39476

>  <PCAT_CMPD_ID> (516)
WAY-310452

>  <CNC_ID> (516)
359314193

>  <transfer_container_id> (516)
PTN000000065

>  <COMPOUND_NUMBER> (516)
WAY-310452

>  <LOCATION_CODE> (516)
PTNCS

>  <AMOUNT_CURRENT> (516)
30.2

$$$$
CL-224105
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.2002    0.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0308    0.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  5 10  2  0  0  0  0
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 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
  5  9  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C13H12O3

>  <MolWeight> (517)
216.23258

>  <PCAT_CMPD_ID> (517)
CL-224105

>  <CNC_ID> (517)
359313563

>  <transfer_container_id> (517)
PTN000000065

>  <COMPOUND_NUMBER> (517)
CL-224105

>  <LOCATION_CODE> (517)
PTNCS

>  <AMOUNT_CURRENT> (517)
33.7

$$$$
WAY-226027
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
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 18 15  2  0  0  0  0
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  4  5  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (518)
518

>  <Formula> (518)
C13H14N2O4

>  <MolWeight> (518)
262.26126

>  <PCAT_CMPD_ID> (518)
WAY-226027

>  <CNC_ID> (518)
359313857

>  <transfer_container_id> (518)
PTN000000065

>  <COMPOUND_NUMBER> (518)
WAY-226027

>  <LOCATION_CODE> (518)
PTNCS

>  <AMOUNT_CURRENT> (518)
33.3

$$$$
WAY-311313
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  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
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
  5  6  2  0  0  0  0
 12 13  1  0  0  0  0
 15 17  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (519)
519

>  <Formula> (519)
C20H19N5O2S

>  <MolWeight> (519)
393.46216

>  <PCAT_CMPD_ID> (519)
WAY-311313

>  <CNC_ID> (519)
359315054

>  <transfer_container_id> (519)
PTN000000065

>  <COMPOUND_NUMBER> (519)
WAY-311313

>  <LOCATION_CODE> (519)
PTNCS

>  <AMOUNT_CURRENT> (519)
33.5

$$$$
WAY-314312
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.9966   -0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1759   -1.0552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8655   -0.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276    0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5379    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4103    0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724   -0.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8241    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6034    2.0793    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5345   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1241    0.1793    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
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (520)
520

>  <Formula> (520)
C17H15FN2O4S2

>  <MolWeight> (520)
394.4404032

>  <PCAT_CMPD_ID> (520)
WAY-314312

>  <CNC_ID> (520)
359329348

>  <transfer_container_id> (520)
PTN000000067

>  <COMPOUND_NUMBER> (520)
WAY-314312

>  <LOCATION_CODE> (520)
PTNCS

>  <AMOUNT_CURRENT> (520)
33

$$$$
WAY-344501
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   12.5750   -8.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -7.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6250   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417   -8.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6125   -9.4750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7000   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4792   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3542   -8.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167   -9.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4917   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2167  -10.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -9.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2292   -5.5750    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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  2  0  0  0  0
 20 17  1  0  0  0  0
 10 11  2  0  0  0  0
  9  6  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (521)
521

>  <Formula> (521)
C15H14N2OS2

>  <MolWeight> (521)
302.41446

>  <PCAT_CMPD_ID> (521)
WAY-344501

>  <CNC_ID> (521)
359319834

>  <transfer_container_id> (521)
PTN000000065

>  <COMPOUND_NUMBER> (521)
WAY-344501

>  <LOCATION_CODE> (521)
PTNCS

>  <AMOUNT_CURRENT> (521)
32.2

$$$$
WAY-345523
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   12.2375   -4.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8667   -3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4417   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792   -6.4542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -2.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9667   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5917   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0542   -5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -5.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10 14  1  0  0  0  0
 11  5  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14  3  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  2  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20 15  1  0  0  0  0
 21 15  1  0  0  0  0
 22 23  2  0  0  0  0
 23 16  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  2  0  0  0  0
 26 24  2  0  0  0  0
  9  4  1  0  0  0  0
 22 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C20H20N2O3S

>  <MolWeight> (522)
368.4494

>  <PCAT_CMPD_ID> (522)
WAY-345523

>  <CNC_ID> (522)
359320785

>  <transfer_container_id> (522)
PTN000000065

>  <COMPOUND_NUMBER> (522)
WAY-345523

>  <LOCATION_CODE> (522)
PTNCS

>  <AMOUNT_CURRENT> (522)
32.1

$$$$
WAY-312483
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2517   -1.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621   -0.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5069   -1.2966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.1793   -2.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5069   -0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9172    3.4931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  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
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 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
  5  7  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C13H12ClNO4

>  <MolWeight> (523)
281.69168

>  <PCAT_CMPD_ID> (523)
WAY-312483

>  <CNC_ID> (523)
359316223

>  <transfer_container_id> (523)
PTN000000065

>  <COMPOUND_NUMBER> (523)
WAY-312483

>  <LOCATION_CODE> (523)
PTNCS

>  <AMOUNT_CURRENT> (523)
33.8

$$$$
WAY-345556
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.9008    5.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3426    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3785    3.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    6.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0648    2.6162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3152    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3008    5.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4  1  1  0  0  0  0
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  6  2  1  0  0  0  0
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 10  3  2  0  0  0  0
 11  1  1  0  0  0  0
 12  8  1  0  0  0  0
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 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 18 14  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
>  <Mol_ID> (524)
524

>  <Formula> (524)
C14H14FNO3

>  <MolWeight> (524)
263.2642632

>  <PCAT_CMPD_ID> (524)
WAY-345556

>  <CNC_ID> (524)
359320813

>  <transfer_container_id> (524)
PTN000000065

>  <COMPOUND_NUMBER> (524)
WAY-345556

>  <LOCATION_CODE> (524)
PTNCS

>  <AMOUNT_CURRENT> (524)
32.2

$$$$
WAY-344860-A
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.4625   -2.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -1.7417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9792   -3.5542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    7.3750   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1500   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -3.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -2.8792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15 12  1  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  1  0  0  0  0
  6  2  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C17H33NO2

>  <MolWeight> (525)
283.44942

>  <PCAT_CMPD_ID> (525)
WAY-344860-A

>  <CNC_ID> (525)
359320171

>  <transfer_container_id> (525)
PTN000000065

>  <COMPOUND_NUMBER> (525)
WAY-344860-A

>  <LOCATION_CODE> (525)
PTNCS

>  <AMOUNT_CURRENT> (525)
32.2

$$$$
WAY-345608
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.0915    5.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5139    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4224    6.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5705    3.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2498    2.6059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4779    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3658    3.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0363    8.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4 12  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  2  0  0  0  0
 10  1  2  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 13 17  2  0  0  0  0
  7  6  1  0  0  0  0
M  END
>  <Mol_ID> (526)
526

>  <Formula> (526)
C12H12BrNO3

>  <MolWeight> (526)
298.13258

>  <PCAT_CMPD_ID> (526)
WAY-345608

>  <CNC_ID> (526)
359320865

>  <transfer_container_id> (526)
PTN000000065

>  <COMPOUND_NUMBER> (526)
WAY-345608

>  <LOCATION_CODE> (526)
PTNCS

>  <AMOUNT_CURRENT> (526)
32.4

$$$$
WAY-345520
csChFnd80/10101909502D

 27 28  0  0  0  0  0  0  0  0999 V2000
   11.7875   -6.8292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9792   -5.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -8.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917   -6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2417   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4625   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8792   -3.8917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3000   -8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4167   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    2.2458    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  2  2  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  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  2  0  0  0  0
 13 16  1  0  0  0  0
 14  2  1  0  0  0  0
 15  7  2  0  0  0  0
 16  9  1  0  0  0  0
 17  8  2  0  0  0  0
 18  9  2  0  0  0  0
 19  3  1  0  0  0  0
 20 15  1  0  0  0  0
 21  7  1  0  0  0  0
 22 10  1  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
  5  6  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <Mol_ID> (527)
527

>  <Formula> (527)
C18H20ClN3O5

>  <MolWeight> (527)
393.8215

>  <PCAT_CMPD_ID> (527)
WAY-345520

>  <CNC_ID> (527)
359320782

>  <transfer_container_id> (527)
PTN000000065

>  <COMPOUND_NUMBER> (527)
WAY-345520

>  <LOCATION_CODE> (527)
PTNCS

>  <AMOUNT_CURRENT> (527)
32.5

$$$$
WAY-312446
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.6552    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    0.0207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2345    0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2172    0.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6621   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5069   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0966   -0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 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
  8 11  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (528)
528

>  <Formula> (528)
C16H21NO3

>  <MolWeight> (528)
275.34284

>  <PCAT_CMPD_ID> (528)
WAY-312446

>  <CNC_ID> (528)
359316186

>  <transfer_container_id> (528)
PTN000000065

>  <COMPOUND_NUMBER> (528)
WAY-312446

>  <LOCATION_CODE> (528)
PTNCS

>  <AMOUNT_CURRENT> (528)
33.3

$$$$
WAY-344015
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.1042   -5.2792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3542  -10.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  1  2  0  0  0  0
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  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9 12  1  0  0  0  0
 10  9  1  0  0  0  0
 11 17  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  2  0  0  0  0
 14  3  2  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18  7  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 20  1  0  0  0  0
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 25 22  2  0  0  0  0
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 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
 16 11  2  0  0  0  0
  4 18  1  0  0  0  0
 29 27  2  0  0  0  0
M  END
>  <Mol_ID> (529)
529

>  <Formula> (529)
C22H29N3O3S

>  <MolWeight> (529)
415.54896

>  <PCAT_CMPD_ID> (529)
WAY-344015

>  <CNC_ID> (529)
359319353

>  <transfer_container_id> (529)
PTN000000065

>  <COMPOUND_NUMBER> (529)
WAY-344015

>  <LOCATION_CODE> (529)
PTNCS

>  <AMOUNT_CURRENT> (529)
33

$$$$
WAY-231189
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.3205    4.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6285    4.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7245    5.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2245    2.0115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
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 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
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 12  9  2  0  0  0  0
 20  6  1  0  0  0  0
M  END
>  <Mol_ID> (530)
530

>  <Formula> (530)
C16H22N2O3

>  <MolWeight> (530)
290.35748

>  <PCAT_CMPD_ID> (530)
WAY-231189

>  <CNC_ID> (530)
359313898

>  <transfer_container_id> (530)
PTN000000065

>  <COMPOUND_NUMBER> (530)
WAY-231189

>  <LOCATION_CODE> (530)
PTNCS

>  <AMOUNT_CURRENT> (530)
33.2

$$$$
WAY-344708
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 13  1  1  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
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  6  8  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (531)
531

>  <Formula> (531)
C13H18N2O4

>  <MolWeight> (531)
266.29302

>  <PCAT_CMPD_ID> (531)
WAY-344708

>  <CNC_ID> (531)
359320020

>  <transfer_container_id> (531)
PTN000000065

>  <COMPOUND_NUMBER> (531)
WAY-344708

>  <LOCATION_CODE> (531)
PTNCS

>  <AMOUNT_CURRENT> (531)
32.6

$$$$
WAY-311767-A
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.2652   -2.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
  6  8  1  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (532)
532

>  <Formula> (532)
C17H19NO2

>  <MolWeight> (532)
269.33826

>  <PCAT_CMPD_ID> (532)
WAY-311767-A

>  <CNC_ID> (532)
359315508

>  <transfer_container_id> (532)
PTN000000065

>  <COMPOUND_NUMBER> (532)
WAY-311767-A

>  <LOCATION_CODE> (532)
PTNCS

>  <AMOUNT_CURRENT> (532)
33.8

$$$$
WAY-343833
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.7280    1.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  6  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (533)
533

>  <Formula> (533)
C13H18N2O3S

>  <MolWeight> (533)
282.35862

>  <PCAT_CMPD_ID> (533)
WAY-343833

>  <CNC_ID> (533)
359319174

>  <transfer_container_id> (533)
PTN000000065

>  <COMPOUND_NUMBER> (533)
WAY-343833

>  <LOCATION_CODE> (533)
PTNCS

>  <AMOUNT_CURRENT> (533)
32.9

$$$$
WAY-344608
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
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 13  4  1  0  0  0  0
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 15  7  1  0  0  0  0
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 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
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 26  3  1  0  0  0  0
 27  2  1  0  0  0  0
 28  9  1  0  0  0  0
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 30 27  2  0  0  0  0
 25 12  1  0  0  0  0
 29 26  2  0  0  0  0
  8 18  1  0  0  0  0
M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C19H24F3N3O4S

>  <MolWeight> (534)
447.4717696

>  <PCAT_CMPD_ID> (534)
WAY-344608

>  <CNC_ID> (534)
359319925

>  <transfer_container_id> (534)
PTN000000065

>  <COMPOUND_NUMBER> (534)
WAY-344608

>  <LOCATION_CODE> (534)
PTNCS

>  <AMOUNT_CURRENT> (534)
32.5

$$$$
WAY-343727
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
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 10  5  1  0  0  0  0
 11 17  2  0  0  0  0
 12  2  2  0  0  0  0
 13  8  1  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
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 19  9  1  0  0  0  0
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 21  3  1  0  0  0  0
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 11  9  1  0  0  0  0
M  END
>  <Mol_ID> (535)
535

>  <Formula> (535)
C17H18Cl2N2O2S

>  <MolWeight> (535)
385.30802

>  <PCAT_CMPD_ID> (535)
WAY-343727

>  <CNC_ID> (535)
359319068

>  <transfer_container_id> (535)
PTN000000065

>  <COMPOUND_NUMBER> (535)
WAY-343727

>  <LOCATION_CODE> (535)
PTNCS

>  <AMOUNT_CURRENT> (535)
32.3

$$$$
WAY-312250
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  3  6  1  0  0  0  0
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  6 10  2  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 18  1  0  0  0  0
  8 10  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (536)
536

>  <Formula> (536)
C13H11ClN2O2

>  <MolWeight> (536)
262.69164

>  <PCAT_CMPD_ID> (536)
WAY-312250

>  <CNC_ID> (536)
359315990

>  <transfer_container_id> (536)
PTN000000065

>  <COMPOUND_NUMBER> (536)
WAY-312250

>  <LOCATION_CODE> (536)
PTNCS

>  <AMOUNT_CURRENT> (536)
33.8

$$$$
WAY-344077
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.2792   -7.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8 12  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12 23  1  0  0  0  0
 13  9  2  0  0  0  0
 14 19  1  0  0  0  0
 15  1  1  0  0  0  0
 16  4  2  0  0  0  0
 17  6  2  0  0  0  0
 18  8  2  0  0  0  0
 19 15  1  0  0  0  0
 20 10  1  0  0  0  0
 21 14  2  0  0  0  0
 22 20  2  0  0  0  0
 23 14  1  0  0  0  0
 24 26  2  0  0  0  0
 25  9  1  0  0  0  0
 26 11  1  0  0  0  0
 27 24  1  0  0  0  0
 28 10  1  0  0  0  0
 29 20  1  0  0  0  0
 30 28  2  0  0  0  0
 31 30  1  0  0  0  0
  4  5  1  0  0  0  0
 22 16  1  0  0  0  0
 31 29  2  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (537)
537

>  <Formula> (537)
C23H15Cl2NO5

>  <MolWeight> (537)
456.2749

>  <PCAT_CMPD_ID> (537)
WAY-344077

>  <CNC_ID> (537)
359319413

>  <transfer_container_id> (537)
PTN000000065

>  <COMPOUND_NUMBER> (537)
WAY-344077

>  <LOCATION_CODE> (537)
PTNCS

>  <AMOUNT_CURRENT> (537)
32.3

$$$$
WAY-312391-A
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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 18 21  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (538)
538

>  <Formula> (538)
C20H24FNO3

>  <MolWeight> (538)
345.4078632

>  <PCAT_CMPD_ID> (538)
WAY-312391-A

>  <CNC_ID> (538)
359316131

>  <transfer_container_id> (538)
PTN000000065

>  <COMPOUND_NUMBER> (538)
WAY-312391-A

>  <LOCATION_CODE> (538)
PTNCS

>  <AMOUNT_CURRENT> (538)
33.6

$$$$
WAY-345398
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 14  2  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  2  0  0  0  0
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 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 20 10  2  0  0  0  0
 12 21  2  0  0  0  0
M  END
>  <Mol_ID> (539)
539

>  <Formula> (539)
C16H13Cl2NO3

>  <MolWeight> (539)
338.18532

>  <PCAT_CMPD_ID> (539)
WAY-345398

>  <CNC_ID> (539)
359320668

>  <transfer_container_id> (539)
PTN000000065

>  <COMPOUND_NUMBER> (539)
WAY-345398

>  <LOCATION_CODE> (539)
PTNCS

>  <AMOUNT_CURRENT> (539)
32.4

$$$$
WAY-344981
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
 14  5  2  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  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
  9 10  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (540)
540

>  <Formula> (540)
C19H24N2O3

>  <MolWeight> (540)
328.40546

>  <PCAT_CMPD_ID> (540)
WAY-344981

>  <CNC_ID> (540)
359320291

>  <transfer_container_id> (540)
PTN000000065

>  <COMPOUND_NUMBER> (540)
WAY-344981

>  <LOCATION_CODE> (540)
PTNCS

>  <AMOUNT_CURRENT> (540)
32.3

$$$$
WAY-344915
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.1667   -6.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.8417   -1.7250    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  9  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14  7  1  0  0  0  0
 15 17  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  2  0  0  0  0
 18 15  1  0  0  0  0
 19  5  2  0  0  0  0
 20 11  2  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 11  5  1  0  0  0  0
 22 21  2  0  0  0  0
 15  8  2  0  0  0  0
M  END
>  <Mol_ID> (541)
541

>  <Formula> (541)
C16H12Cl2O4

>  <MolWeight> (541)
339.17008

>  <PCAT_CMPD_ID> (541)
WAY-344915

>  <CNC_ID> (541)
359320226

>  <transfer_container_id> (541)
PTN000000065

>  <COMPOUND_NUMBER> (541)
WAY-344915

>  <LOCATION_CODE> (541)
PTNCS

>  <AMOUNT_CURRENT> (541)
32.7

$$$$
WAY-345106
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.1292   -4.1292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9125   -5.0292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4667   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11 15  2  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  2  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 16  2  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  5  4  1  0  0  0  0
 14 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (542)
542

>  <Formula> (542)
C17H17N3S2

>  <MolWeight> (542)
327.46698

>  <PCAT_CMPD_ID> (542)
WAY-345106

>  <CNC_ID> (542)
359320414

>  <transfer_container_id> (542)
PTN000000065

>  <COMPOUND_NUMBER> (542)
WAY-345106

>  <LOCATION_CODE> (542)
PTNCS

>  <AMOUNT_CURRENT> (542)
33

$$$$
WAY-343717
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.3875   -8.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   -7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   -6.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2167   -8.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  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  8  1  0  0  0  0
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 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 17  2  0  0  0  0
 22 16  1  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
 23 22  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (543)
543

>  <Formula> (543)
C18H14FNO2S

>  <MolWeight> (543)
327.3726632

>  <PCAT_CMPD_ID> (543)
WAY-343717

>  <CNC_ID> (543)
359319058

>  <transfer_container_id> (543)
PTN000000065

>  <COMPOUND_NUMBER> (543)
WAY-343717

>  <LOCATION_CODE> (543)
PTNCS

>  <AMOUNT_CURRENT> (543)
32.3

$$$$
WAY-311521-A
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.6233    0.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  6 10  1  0  0  0  0
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  7 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
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 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  8  9  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (544)
544

>  <Formula> (544)
C17H20N2O

>  <MolWeight> (544)
268.3535

>  <PCAT_CMPD_ID> (544)
WAY-311521-A

>  <CNC_ID> (544)
359315262

>  <transfer_container_id> (544)
PRL000000080

>  <COMPOUND_NUMBER> (544)
WAY-311521-A

>  <LOCATION_CODE> (544)
PRLCS

>  <AMOUNT_CURRENT> (544)
33.3

$$$$
WAY-310395
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -3.4448    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
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 16 17  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (545)
545

>  <Formula> (545)
C23H20F2N2O

>  <MolWeight> (545)
378.4145064

>  <PCAT_CMPD_ID> (545)
WAY-310395

>  <CNC_ID> (545)
359314136

>  <transfer_container_id> (545)
PTN000000065

>  <COMPOUND_NUMBER> (545)
WAY-310395

>  <LOCATION_CODE> (545)
PTNCS

>  <AMOUNT_CURRENT> (545)
33.8

$$$$
WAY-311234
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   -2.1679   -0.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  8  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (546)
546

>  <Formula> (546)
C15H21ClN2O

>  <MolWeight> (546)
280.79304

>  <PCAT_CMPD_ID> (546)
WAY-311234

>  <CNC_ID> (546)
359314975

>  <transfer_container_id> (546)
PTN000000065

>  <COMPOUND_NUMBER> (546)
WAY-311234

>  <LOCATION_CODE> (546)
PTNCS

>  <AMOUNT_CURRENT> (546)
33.6

$$$$
WAY-345571
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  2  0  0  0  0
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  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  2  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14 20  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 14 19  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
>  <Mol_ID> (547)
547

>  <Formula> (547)
C13H15ClN2O4

>  <MolWeight> (547)
298.7222

>  <PCAT_CMPD_ID> (547)
WAY-345571

>  <CNC_ID> (547)
359320828

>  <transfer_container_id> (547)
PTN000000065

>  <COMPOUND_NUMBER> (547)
WAY-345571

>  <LOCATION_CODE> (547)
PTNCS

>  <AMOUNT_CURRENT> (547)
32.8

$$$$
WAY-231179
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
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 10 13  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  2  0  0  0  0
 15  2  2  0  0  0  0
 16  4  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19  8  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 14  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 21 13  2  0  0  0  0
 14 20  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (548)
548

>  <Formula> (548)
C19H14N2O3

>  <MolWeight> (548)
318.32606

>  <PCAT_CMPD_ID> (548)
WAY-231179

>  <CNC_ID> (548)
359326885

>  <transfer_container_id> (548)
PTN000000067

>  <COMPOUND_NUMBER> (548)
WAY-231179

>  <LOCATION_CODE> (548)
PTNCS

>  <AMOUNT_CURRENT> (548)
33.4

$$$$
WAY-345222-A
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.1750   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
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  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  1  0  0  0  0
 12 11  2  0  0  0  0
 13  3  1  0  0  0  0
 14  8  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  1  0  0  0  0
 15  6  2  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (549)
549

>  <Formula> (549)
C15H22N2O2

>  <MolWeight> (549)
262.34738

>  <PCAT_CMPD_ID> (549)
WAY-345222-A

>  <CNC_ID> (549)
359320524

>  <transfer_container_id> (549)
PTN000000065

>  <COMPOUND_NUMBER> (549)
WAY-345222-A

>  <LOCATION_CODE> (549)
PTNCS

>  <AMOUNT_CURRENT> (549)
32.2

$$$$
WAY-311601
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  5  8  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (550)
550

>  <Formula> (550)
C16H21N3O

>  <MolWeight> (550)
271.35744

>  <PCAT_CMPD_ID> (550)
WAY-311601

>  <CNC_ID> (550)
359315342

>  <transfer_container_id> (550)
PTN000000065

>  <COMPOUND_NUMBER> (550)
WAY-311601

>  <LOCATION_CODE> (550)
PTNCS

>  <AMOUNT_CURRENT> (550)
33.1

$$$$
WAY-344076
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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    9.7750   -6.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8542   -9.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000  -11.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0917   -1.0417    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 14  1  0  0  0  0
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  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12 11  1  0  0  0  0
 13 15  2  0  0  0  0
 14  5  1  0  0  0  0
 15 10  1  0  0  0  0
 16 21  1  0  0  0  0
 17  4  2  0  0  0  0
 18  3  2  0  0  0  0
 19  3  1  0  0  0  0
 20 12  2  0  0  0  0
 21 19  2  0  0  0  0
 22 18  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 16  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 15  1  0  0  0  0
 29 12  1  0  0  0  0
 30 25  1  0  0  0  0
 31 25  1  0  0  0  0
 16 22  2  0  0  0  0
 23  5  1  0  0  0  0
 26 11  2  0  0  0  0
M  END
>  <Mol_ID> (551)
551

>  <Formula> (551)
C23H29N3O4S

>  <MolWeight> (551)
443.55906

>  <PCAT_CMPD_ID> (551)
WAY-344076

>  <CNC_ID> (551)
359319412

>  <transfer_container_id> (551)
PTN000000065

>  <COMPOUND_NUMBER> (551)
WAY-344076

>  <LOCATION_CODE> (551)
PTNCS

>  <AMOUNT_CURRENT> (551)
33

$$$$
WAY-345153
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   12.2917  -12.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042  -10.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8292  -13.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3750   -5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 14  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  3  2  0  0  0  0
 14 11  1  0  0  0  0
 15  5  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 20  1  0  0  0  0
 19 12  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23  4  2  0  0  0  0
 24 12  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
  9  2  1  0  0  0  0
 24 26  1  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (552)
552

>  <Formula> (552)
C20H20F2N2O2

>  <MolWeight> (552)
358.3818064

>  <PCAT_CMPD_ID> (552)
WAY-345153

>  <CNC_ID> (552)
359320456

>  <transfer_container_id> (552)
PTN000000065

>  <COMPOUND_NUMBER> (552)
WAY-345153

>  <LOCATION_CODE> (552)
PTNCS

>  <AMOUNT_CURRENT> (552)
32.6

$$$$
WAY-312451
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.7977    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7977   -0.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4023   -0.3443    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  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
 19 21  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C18H20N2O

>  <MolWeight> (553)
280.3642

>  <PCAT_CMPD_ID> (553)
WAY-312451

>  <CNC_ID> (553)
359316191

>  <transfer_container_id> (553)
PTN000000065

>  <COMPOUND_NUMBER> (553)
WAY-312451

>  <LOCATION_CODE> (553)
PTNCS

>  <AMOUNT_CURRENT> (553)
33.3

$$$$
WAY-117722
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0338   -0.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  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
 13 15  2  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  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (554)
554

>  <Formula> (554)
C15H11N3O3

>  <MolWeight> (554)
281.26614

>  <PCAT_CMPD_ID> (554)
WAY-117722

>  <CNC_ID> (554)
359313729

>  <transfer_container_id> (554)
PTN000000065

>  <COMPOUND_NUMBER> (554)
WAY-117722

>  <LOCATION_CODE> (554)
PTNCS

>  <AMOUNT_CURRENT> (554)
33.2

$$$$
WAY-344627
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.7875   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7167   -9.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0875   -9.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5167   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  2  0  0  0  0
  6  1  1  0  0  0  0
  7 15  1  0  0  0  0
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 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  2  0  0  0  0
 14  1  2  0  0  0  0
 15 21  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18  4  1  0  0  0  0
 19  4  1  0  0  0  0
 20  2  1  0  0  0  0
 21  8  1  0  0  0  0
 22 10  1  0  0  0  0
 23 12  1  0  0  0  0
 16  9  1  0  0  0  0
  7  3  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C16H21N3O4

>  <MolWeight> (555)
319.35564

>  <PCAT_CMPD_ID> (555)
WAY-344627

>  <CNC_ID> (555)
359319944

>  <transfer_container_id> (555)
PTN000000065

>  <COMPOUND_NUMBER> (555)
WAY-344627

>  <LOCATION_CODE> (555)
PTNCS

>  <AMOUNT_CURRENT> (555)
32.9

$$$$
WAY-312296
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8275    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6516    0.6861    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8275   -0.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4861    1.1689    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1482   -0.1415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8208    0.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
  9 13  1  0  0  0  0
 15 18  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (556)
556

>  <Formula> (556)
C17H17ClN2O4S

>  <MolWeight> (556)
380.84588

>  <PCAT_CMPD_ID> (556)
WAY-312296

>  <CNC_ID> (556)
359316036

>  <transfer_container_id> (556)
PTN000000065

>  <COMPOUND_NUMBER> (556)
WAY-312296

>  <LOCATION_CODE> (556)
PTNCS

>  <AMOUNT_CURRENT> (556)
33.5

$$$$
WAY-343831
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.9500    0.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2667    9.2292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 16  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  1  2  0  0  0  0
 14  2  2  0  0  0  0
 15  4  1  0  0  0  0
 16 17  1  0  0  0  0
 17  4  1  0  0  0  0
 18 15  1  0  0  0  0
 19  8  1  0  0  0  0
 20  7  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 10  1  0  0  0  0
 24  9  1  0  0  0  0
 25 19  2  0  0  0  0
 26 20  2  0  0  0  0
 27 21  1  0  0  0  0
 28 22  1  0  0  0  0
  3 18  1  0  0  0  0
 22 12  2  0  0  0  0
 21 11  2  0  0  0  0
M  END
>  <Mol_ID> (557)
557

>  <Formula> (557)
C18H16F4N4O2

>  <MolWeight> (557)
396.3388528

>  <PCAT_CMPD_ID> (557)
WAY-343831

>  <CNC_ID> (557)
359319172

>  <transfer_container_id> (557)
PTN000000065

>  <COMPOUND_NUMBER> (557)
WAY-343831

>  <LOCATION_CODE> (557)
PTNCS

>  <AMOUNT_CURRENT> (557)
32.9

$$$$
WAY-344382
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.4917   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3667   -5.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6917   -3.9917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7542   -2.3667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5625   -7.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5042   -2.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3042    2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1750   -7.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1875   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3167   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1167    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1167    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -3.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  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  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21  7  1  0  0  0  0
 22  8  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  1  0  0  0  0
 27 28  1  0  0  0  0
 28 21  1  0  0  0  0
 16 24  2  0  0  0  0
 27 22  1  0  0  0  0
 15 23  2  0  0  0  0
M  END
>  <Mol_ID> (558)
558

>  <Formula> (558)
C22H28N4O2

>  <MolWeight> (558)
380.48332

>  <PCAT_CMPD_ID> (558)
WAY-344382

>  <CNC_ID> (558)
359319717

>  <transfer_container_id> (558)
PTN000000065

>  <COMPOUND_NUMBER> (558)
WAY-344382

>  <LOCATION_CODE> (558)
PTNCS

>  <AMOUNT_CURRENT> (558)
32.8

$$$$
WAY-344791-A
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.3667   -2.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -2.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917   -4.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0542   -5.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5375   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625   -4.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292   -1.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9750   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -3.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9375   -4.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2000   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3000   -3.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 18  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6 12  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  2  0  0  0  0
 10  3  2  0  0  0  0
 11  5  2  0  0  0  0
 12 17  2  0  0  0  0
 13 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19  2  1  0  0  0  0
 20  5  1  0  0  0  0
  8  9  1  0  0  0  0
 13  6  2  0  0  0  0
M  END
>  <Mol_ID> (559)
559

>  <Formula> (559)
C15H16N2O2S

>  <MolWeight> (559)
288.36474

>  <PCAT_CMPD_ID> (559)
WAY-344791-A

>  <CNC_ID> (559)
359320102

>  <transfer_container_id> (559)
PTN000000065

>  <COMPOUND_NUMBER> (559)
WAY-344791-A

>  <LOCATION_CODE> (559)
PTNCS

>  <AMOUNT_CURRENT> (559)
32.5

$$$$
WAY-345502
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.0000   -2.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9917   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4292   -8.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0250   -9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4000  -10.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8417   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0292  -11.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4000   -6.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2625   -9.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  4  1  0  0  0  0
  6  9  2  0  0  0  0
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  8 18  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11 19  1  0  0  0  0
 12  2  1  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15  5  1  0  0  0  0
 16 11  1  0  0  0  0
 17 21  1  0  0  0  0
 18 16  1  0  0  0  0
 19 12  1  0  0  0  0
 20  7  1  0  0  0  0
 21 15  2  0  0  0  0
 22 17  1  0  0  0  0
 23  6  1  0  0  0  0
 24  9  1  0  0  0  0
 25 26  1  0  0  0  0
 26 24  2  0  0  0  0
  2  6  1  0  0  0  0
 23 25  2  0  0  0  0
 17 10  2  0  0  0  0
M  END
>  <Mol_ID> (560)
560

>  <Formula> (560)
C19H16BrFN2O3

>  <MolWeight> (560)
419.2443432

>  <PCAT_CMPD_ID> (560)
WAY-345502

>  <CNC_ID> (560)
359320771

>  <transfer_container_id> (560)
PTN000000065

>  <COMPOUND_NUMBER> (560)
WAY-345502

>  <LOCATION_CODE> (560)
PTNCS

>  <AMOUNT_CURRENT> (560)
32.7

$$$$
WAY-343815
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.0292  -12.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
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 14  3  1  0  0  0  0
 15  6  2  0  0  0  0
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 19 11  2  0  0  0  0
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 21  2  1  0  0  0  0
 22  2  1  0  0  0  0
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 25 12  1  0  0  0  0
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 28 24  1  0  0  0  0
 29 21  1  0  0  0  0
 30 22  1  0  0  0  0
 18 29  1  0  0  0  0
  4 12  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (561)
561

>  <Formula> (561)
C19H18ClFN2O6S

>  <MolWeight> (561)
456.8724232

>  <PCAT_CMPD_ID> (561)
WAY-343815

>  <CNC_ID> (561)
359319156

>  <transfer_container_id> (561)
PTN000000065

>  <COMPOUND_NUMBER> (561)
WAY-343815

>  <LOCATION_CODE> (561)
PTNCS

>  <AMOUNT_CURRENT> (561)
32.1

$$$$
WAY-311905
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.4793   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  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
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 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  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (562)
562

>  <Formula> (562)
C17H18F3N3O3

>  <MolWeight> (562)
369.3383296

>  <PCAT_CMPD_ID> (562)
WAY-311905

>  <CNC_ID> (562)
359315646

>  <transfer_container_id> (562)
PTN000000065

>  <COMPOUND_NUMBER> (562)
WAY-311905

>  <LOCATION_CODE> (562)
PTNCS

>  <AMOUNT_CURRENT> (562)
33.9

$$$$
WAY-345559
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.2000   -8.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
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  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  2  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 12 10  2  0  0  0  0
 21 17  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (563)
563

>  <Formula> (563)
C17H13ClN2O

>  <MolWeight> (563)
296.75092

>  <PCAT_CMPD_ID> (563)
WAY-345559

>  <CNC_ID> (563)
359320816

>  <transfer_container_id> (563)
PTN000000065

>  <COMPOUND_NUMBER> (563)
WAY-345559

>  <LOCATION_CODE> (563)
PTNCS

>  <AMOUNT_CURRENT> (563)
32.3

$$$$
WAY-310344
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.7792   -1.3792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
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  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
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 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14 19  1  0  0  0  0
 15  3  2  0  0  0  0
 16  6  2  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  1  0  0  0  0
 21  5  2  0  0  0  0
 22  5  1  0  0  0  0
 23  6  1  0  0  0  0
 24 25  1  0  0  0  0
 25 22  2  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
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 24 26  2  0  0  0  0
  9 17  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (564)
564

>  <Formula> (564)
C21H30N2O6S

>  <MolWeight> (564)
438.5377

>  <PCAT_CMPD_ID> (564)
WAY-310344

>  <CNC_ID> (564)
359314085

>  <transfer_container_id> (564)
PTN000000065

>  <COMPOUND_NUMBER> (564)
WAY-310344

>  <LOCATION_CODE> (564)
PTNCS

>  <AMOUNT_CURRENT> (564)
33.6

$$$$
WAY-310387
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  5  2  0  0  0  0
 18 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 17  1  0  0  0  0
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 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
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 25 19  1  0  0  0  0
 26 18  1  0  0  0  0
 27 25  2  0  0  0  0
 28 25  1  0  0  0  0
 29 26  1  0  0  0  0
 30 28  2  0  0  0  0
 31 27  1  0  0  0  0
 32 30  1  0  0  0  0
 18 21  1  0  0  0  0
  8 14  1  0  0  0  0
 24 22  1  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (565)
565

>  <Formula> (565)
C25H32N2O4S

>  <MolWeight> (565)
456.59758

>  <PCAT_CMPD_ID> (565)
WAY-310387

>  <CNC_ID> (565)
359314128

>  <transfer_container_id> (565)
PTN000000065

>  <COMPOUND_NUMBER> (565)
WAY-310387

>  <LOCATION_CODE> (565)
PTNCS

>  <AMOUNT_CURRENT> (565)
33.6

$$$$
WAY-311588
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.0540    0.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1415    1.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1415   -0.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    1.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   11.0875   -3.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2875   -2.1290    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   15.1750   -4.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.5790    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 11  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  1  0  0  0  0
 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  2  2  0  0  0  0
 15  3  2  0  0  0  0
 16  4  1  0  0  0  0
 17  7  2  0  0  0  0
 18  9  2  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21 16  1  0  0  0  0
 22  6  1  0  0  0  0
 23 24  1  0  0  0  0
 24 22  2  0  0  0  0
 25 12  1  0  0  0  0
 26 19  2  0  0  0  0
 27 19  1  0  0  0  0
 28 21  1  0  0  0  0
 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
  5  4  1  0  0  0  0
 11 23  2  0  0  0  0
 21 20  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (566)
566

>  <Formula> (566)
C25H25NO5

>  <MolWeight> (566)
419.4697

>  <PCAT_CMPD_ID> (566)
WAY-311588

>  <CNC_ID> (566)
359315329

>  <transfer_container_id> (566)
PTN000000065

>  <COMPOUND_NUMBER> (566)
WAY-311588

>  <LOCATION_CODE> (566)
PTNCS

>  <AMOUNT_CURRENT> (566)
33.3

$$$$
GI-558011
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.8067   -0.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5312    0.2067    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  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  6  7  1  0  0  0  0
  9 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C15H14N2O

>  <MolWeight> (567)
238.28446

>  <PCAT_CMPD_ID> (567)
GI-558011

>  <CNC_ID> (567)
359313657

>  <transfer_container_id> (567)
PTN000000065

>  <COMPOUND_NUMBER> (567)
GI-558011

>  <LOCATION_CODE> (567)
PTNCS

>  <AMOUNT_CURRENT> (567)
33.6

$$$$
WAY-311200
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.6897    0.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 16  1  0  0  0  0
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 16 18  1  0  0  0  0
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 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
  9 14  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (568)
568

>  <Formula> (568)
C17H24N2O4S

>  <MolWeight> (568)
352.44846

>  <PCAT_CMPD_ID> (568)
WAY-311200

>  <CNC_ID> (568)
359314941

>  <transfer_container_id> (568)
PTN000000065

>  <COMPOUND_NUMBER> (568)
WAY-311200

>  <LOCATION_CODE> (568)
PTNCS

>  <AMOUNT_CURRENT> (568)
33.9

$$$$
WAY-312508
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.4651   -0.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5  3  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13 14  1  0  0  0  0
 14 12  2  0  0  0  0
 15  7  1  0  0  0  0
 16 13  1  0  0  0  0
  5  4  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (569)
569

>  <Formula> (569)
C11H14N4S

>  <MolWeight> (569)
234.32066

>  <PCAT_CMPD_ID> (569)
WAY-312508

>  <CNC_ID> (569)
359316248

>  <transfer_container_id> (569)
PTN000000065

>  <COMPOUND_NUMBER> (569)
WAY-312508

>  <LOCATION_CODE> (569)
PTNCS

>  <AMOUNT_CURRENT> (569)
33.1

$$$$
WAY-311827
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5136    0.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (570)
570

>  <Formula> (570)
C17H18N4O2S

>  <MolWeight> (570)
342.41542

>  <PCAT_CMPD_ID> (570)
WAY-311827

>  <CNC_ID> (570)
359315568

>  <transfer_container_id> (570)
PTN000000065

>  <COMPOUND_NUMBER> (570)
WAY-311827

>  <LOCATION_CODE> (570)
PTNCS

>  <AMOUNT_CURRENT> (570)
33.4

$$$$
WAY-232933
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.7410    0.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
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 14 13  1  0  0  0  0
  4  3  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C9H7NO3S

>  <MolWeight> (571)
209.22178

>  <PCAT_CMPD_ID> (571)
WAY-232933

>  <CNC_ID> (571)
359313911

>  <transfer_container_id> (571)
PTN000000065

>  <COMPOUND_NUMBER> (571)
WAY-232933

>  <LOCATION_CODE> (571)
PTNCS

>  <AMOUNT_CURRENT> (571)
33.2

$$$$
WAY-345005
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  6  2  0  0  0  0
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 10  8  1  0  0  0  0
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 15  6  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
  4  2  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C13H13NO4

>  <MolWeight> (572)
247.24662

>  <PCAT_CMPD_ID> (572)
WAY-345005

>  <CNC_ID> (572)
359320315

>  <transfer_container_id> (572)
PTN000000065

>  <COMPOUND_NUMBER> (572)
WAY-345005

>  <LOCATION_CODE> (572)
PTNCS

>  <AMOUNT_CURRENT> (572)
32.5

$$$$
WAY-311336
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6828   -0.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
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 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (573)
573

>  <Formula> (573)
C16H16N2O4

>  <MolWeight> (573)
300.30924

>  <PCAT_CMPD_ID> (573)
WAY-311336

>  <CNC_ID> (573)
359315077

>  <transfer_container_id> (573)
PTN000000065

>  <COMPOUND_NUMBER> (573)
WAY-311336

>  <LOCATION_CODE> (573)
PTNCS

>  <AMOUNT_CURRENT> (573)
33.9

$$$$
WAY-330802
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 20 19  2  0  0  0  0
  7  5  2  0  0  0  0
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 17 15  2  0  0  0  0
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 15 12  1  0  0  0  0
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 13 10  2  0  0  0  0
 12  8  1  0  0  0  0
 11  7  1  0  0  0  0
 10  5  1  0  0  0  0
  9  4  2  0  0  0  0
  8  4  1  0  0  0  0
  7  3  1  0  0  0  0
  6  2  1  0  0  0  0
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  3  1  1  0  0  0  0
  2  1  2  0  0  0  0
M  END
>  <Mol_ID> (574)
574

>  <Formula> (574)
C16H18N2O2

>  <MolWeight> (574)
270.32632

>  <PCAT_CMPD_ID> (574)
WAY-330802

>  <CNC_ID> (574)
359318157

>  <transfer_container_id> (574)
PTN000000075

>  <COMPOUND_NUMBER> (574)
WAY-330802

>  <LOCATION_CODE> (574)
PTNCS

>  <AMOUNT_CURRENT> (574)
32.6

$$$$
WAY-311804
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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 23 24  1  0  0  0  0
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 10 12  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (575)
575

>  <Formula> (575)
C19H22FN3O

>  <MolWeight> (575)
327.3958832

>  <PCAT_CMPD_ID> (575)
WAY-311804

>  <CNC_ID> (575)
359315545

>  <transfer_container_id> (575)
PTN000000065

>  <COMPOUND_NUMBER> (575)
WAY-311804

>  <LOCATION_CODE> (575)
PTNCS

>  <AMOUNT_CURRENT> (575)
33.3

$$$$
WAY-345451
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  8  5  2  0  0  0  0
  9 16  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 11  1  0  0  0  0
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 19  5  1  0  0  0  0
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 22 17  2  0  0  0  0
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 25 23  2  0  0  0  0
 15  9  2  0  0  0  0
 20 10  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (576)
576

>  <Formula> (576)
C21H18FNO2

>  <MolWeight> (576)
335.3715232

>  <PCAT_CMPD_ID> (576)
WAY-345451

>  <CNC_ID> (576)
359320720

>  <transfer_container_id> (576)
PTN000000065

>  <COMPOUND_NUMBER> (576)
WAY-345451

>  <LOCATION_CODE> (576)
PTNCS

>  <AMOUNT_CURRENT> (576)
32.2

$$$$
WAY-312402
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.5414    0.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  8  2  0  0  0  0
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  5 10  1  0  0  0  0
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 10 14  2  0  0  0  0
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 14 16  1  0  0  0  0
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 23 25  2  0  0  0  0
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 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 28 30  2  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 21 24  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (577)
577

>  <Formula> (577)
C21H15FN4O4

>  <MolWeight> (577)
406.3666032

>  <PCAT_CMPD_ID> (577)
WAY-312402

>  <CNC_ID> (577)
359316142

>  <transfer_container_id> (577)
PTN000000065

>  <COMPOUND_NUMBER> (577)
WAY-312402

>  <LOCATION_CODE> (577)
PTNCS

>  <AMOUNT_CURRENT> (577)
33.4

$$$$
WAY-312207
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.5274    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7588    0.4655    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  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 10 13  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (578)
578

>  <Formula> (578)
C9H6Cl2N2O2S

>  <MolWeight> (578)
277.12714

>  <PCAT_CMPD_ID> (578)
WAY-312207

>  <CNC_ID> (578)
359315947

>  <transfer_container_id> (578)
PTN000000065

>  <COMPOUND_NUMBER> (578)
WAY-312207

>  <LOCATION_CODE> (578)
PTNCS

>  <AMOUNT_CURRENT> (578)
33.1

$$$$
WAY-310641
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.9110   -5.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
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  6  4  1  0  0  0  0
 14 12  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (579)
579

>  <Formula> (579)
C18H18N2O3S

>  <MolWeight> (579)
342.41212

>  <PCAT_CMPD_ID> (579)
WAY-310641

>  <CNC_ID> (579)
359314382

>  <transfer_container_id> (579)
PTN000000065

>  <COMPOUND_NUMBER> (579)
WAY-310641

>  <LOCATION_CODE> (579)
PTNCS

>  <AMOUNT_CURRENT> (579)
33.1

$$$$
WAY-312234
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.4759   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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 11 15  1  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
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (580)
580

>  <Formula> (580)
C13H14N2O3S

>  <MolWeight> (580)
278.32686

>  <PCAT_CMPD_ID> (580)
WAY-312234

>  <CNC_ID> (580)
359315974

>  <transfer_container_id> (580)
PTN000000065

>  <COMPOUND_NUMBER> (580)
WAY-312234

>  <LOCATION_CODE> (580)
PTNCS

>  <AMOUNT_CURRENT> (580)
33.1

$$$$
WAY-310472-A
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   -1.9245    0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 15  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (581)
581

>  <Formula> (581)
C18H19N3O3

>  <MolWeight> (581)
325.36176

>  <PCAT_CMPD_ID> (581)
WAY-310472-A

>  <CNC_ID> (581)
359314213

>  <transfer_container_id> (581)
PTN000000065

>  <COMPOUND_NUMBER> (581)
WAY-310472-A

>  <LOCATION_CODE> (581)
PTNCS

>  <AMOUNT_CURRENT> (581)
33.2

$$$$
WAY-311329
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (582)
582

>  <Formula> (582)
C18H15Cl2N3O

>  <MolWeight> (582)
360.2372

>  <PCAT_CMPD_ID> (582)
WAY-311329

>  <CNC_ID> (582)
359315070

>  <transfer_container_id> (582)
PTN000000065

>  <COMPOUND_NUMBER> (582)
WAY-311329

>  <LOCATION_CODE> (582)
PTNCS

>  <AMOUNT_CURRENT> (582)
33

$$$$
WAY-312058
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 17 19  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (583)
583

>  <Formula> (583)
C11H15N5O3

>  <MolWeight> (583)
265.2685

>  <PCAT_CMPD_ID> (583)
WAY-312058

>  <CNC_ID> (583)
359315799

>  <transfer_container_id> (583)
PTN000000065

>  <COMPOUND_NUMBER> (583)
WAY-312058

>  <LOCATION_CODE> (583)
PTNCS

>  <AMOUNT_CURRENT> (583)
33.5

$$$$
WAY-345130
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 14  7  2  0  0  0  0
 15  4  2  0  0  0  0
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 17  8  2  0  0  0  0
 18  5  1  0  0  0  0
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 14 13  1  0  0  0  0
 26 25  1  0  0  0  0
 21 28  2  0  0  0  0
M  END
>  <Mol_ID> (584)
584

>  <Formula> (584)
C22H22N4OS

>  <MolWeight> (584)
390.50128

>  <PCAT_CMPD_ID> (584)
WAY-345130

>  <CNC_ID> (584)
359320433

>  <transfer_container_id> (584)
PTN000000065

>  <COMPOUND_NUMBER> (584)
WAY-345130

>  <LOCATION_CODE> (584)
PTNCS

>  <AMOUNT_CURRENT> (584)
32.4

$$$$
WAY-311470
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (585)
585

>  <Formula> (585)
C11H9N3S

>  <MolWeight> (585)
215.27426

>  <PCAT_CMPD_ID> (585)
WAY-311470

>  <CNC_ID> (585)
359315211

>  <transfer_container_id> (585)
PTN000000065

>  <COMPOUND_NUMBER> (585)
WAY-311470

>  <LOCATION_CODE> (585)
PTNCS

>  <AMOUNT_CURRENT> (585)
33.8

$$$$
WAY-311594-A
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (586)
586

>  <Formula> (586)
C18H17FN4O

>  <MolWeight> (586)
324.3521832

>  <PCAT_CMPD_ID> (586)
WAY-311594-A

>  <CNC_ID> (586)
359315335

>  <transfer_container_id> (586)
PTN000000065

>  <COMPOUND_NUMBER> (586)
WAY-311594-A

>  <LOCATION_CODE> (586)
PTNCS

>  <AMOUNT_CURRENT> (586)
33.6

$$$$
WAY-310448
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 14 20  2  0  0  0  0
 16 21  1  0  0  0  0
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 27 28  1  0  0  0  0
  5  9  2  0  0  0  0
 13 18  1  0  0  0  0
 15 20  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (587)
587

>  <Formula> (587)
C22H20N2O4

>  <MolWeight> (587)
376.4052

>  <PCAT_CMPD_ID> (587)
WAY-310448

>  <CNC_ID> (587)
359314189

>  <transfer_container_id> (587)
PTN000000065

>  <COMPOUND_NUMBER> (587)
WAY-310448

>  <LOCATION_CODE> (587)
PTNCS

>  <AMOUNT_CURRENT> (587)
33.7

$$$$
WAY-345003
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  2  0  0  0  0
 13 11  2  0  0  0  0
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 16 21  1  0  0  0  0
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 20  6  1  0  0  0  0
 21 18  2  0  0  0  0
 22 18  1  0  0  0  0
 23  8  1  0  0  0  0
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  8  6  2  0  0  0  0
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 26 25  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C20H17NO4S

>  <MolWeight> (588)
367.41828

>  <PCAT_CMPD_ID> (588)
WAY-345003

>  <CNC_ID> (588)
359320313

>  <transfer_container_id> (588)
PTN000000065

>  <COMPOUND_NUMBER> (588)
WAY-345003

>  <LOCATION_CODE> (588)
PTNCS

>  <AMOUNT_CURRENT> (588)
32.3

$$$$
WAY-310839
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 13 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
  8 11  2  0  0  0  0
 10 14  2  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (589)
589

>  <Formula> (589)
C21H18F3N3O3S

>  <MolWeight> (589)
449.4461296

>  <PCAT_CMPD_ID> (589)
WAY-310839

>  <CNC_ID> (589)
359314581

>  <transfer_container_id> (589)
PTN000000065

>  <COMPOUND_NUMBER> (589)
WAY-310839

>  <LOCATION_CODE> (589)
PTNCS

>  <AMOUNT_CURRENT> (589)
33.7

$$$$
WAY-313302
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 21 23  1  0  0  0  0
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 23 25  2  0  0  0  0
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 11 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (590)
590

>  <Formula> (590)
C19H18N2O4

>  <MolWeight> (590)
338.35722

>  <PCAT_CMPD_ID> (590)
WAY-313302

>  <CNC_ID> (590)
359328338

>  <transfer_container_id> (590)
PTN000000067

>  <COMPOUND_NUMBER> (590)
WAY-313302

>  <LOCATION_CODE> (590)
PTNCS

>  <AMOUNT_CURRENT> (590)
33.7

$$$$
WAY-312525
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  6 10  2  0  0  0  0
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 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
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 16 20  2  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  2  0  0  0  0
 23 25  2  0  0  0  0
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 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 17 20  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
C23H14Cl2N2O4

>  <MolWeight> (591)
453.27426

>  <PCAT_CMPD_ID> (591)
WAY-312525

>  <CNC_ID> (591)
359316264

>  <transfer_container_id> (591)
PTN000000065

>  <COMPOUND_NUMBER> (591)
WAY-312525

>  <LOCATION_CODE> (591)
PTNCS

>  <AMOUNT_CURRENT> (591)
33.8

$$$$
WAY-310956-A
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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   -3.0172    1.2103    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  1  0  0  0  0
  4 10  2  0  0  0  0
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  9 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
  9 14  1  0  0  0  0
 11 13  2  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (592)
592

>  <Formula> (592)
C20H18N2O3

>  <MolWeight> (592)
334.36852

>  <PCAT_CMPD_ID> (592)
WAY-310956-A

>  <CNC_ID> (592)
359314698

>  <transfer_container_id> (592)
PTN000000065

>  <COMPOUND_NUMBER> (592)
WAY-310956-A

>  <LOCATION_CODE> (592)
PTNCS

>  <AMOUNT_CURRENT> (592)
33.3

$$$$
WAY-343839
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.4375   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7792   -9.3000    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  3  1  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  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  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  4  1  0  0  0  0
 16  5  1  0  0  0  0
 17 13  1  0  0  0  0
 18 20  2  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  2  0  0  0  0
 13 19  2  0  0  0  0
M  END
>  <Mol_ID> (593)
593

>  <Formula> (593)
C15H13FN2OS

>  <MolWeight> (593)
288.3399232

>  <PCAT_CMPD_ID> (593)
WAY-343839

>  <CNC_ID> (593)
359319180

>  <transfer_container_id> (593)
PTN000000065

>  <COMPOUND_NUMBER> (593)
WAY-343839

>  <LOCATION_CODE> (593)
PTNCS

>  <AMOUNT_CURRENT> (593)
32.3

$$$$
WAY-344634
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.5111    6.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  2  1  0  0  0  0
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 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
  6  5  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (594)
594

>  <Formula> (594)
C14H12O3S

>  <MolWeight> (594)
260.30828

>  <PCAT_CMPD_ID> (594)
WAY-344634

>  <CNC_ID> (594)
359319951

>  <transfer_container_id> (594)
PTN000000065

>  <COMPOUND_NUMBER> (594)
WAY-344634

>  <LOCATION_CODE> (594)
PTNCS

>  <AMOUNT_CURRENT> (594)
32.2

$$$$
WAY-217617
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
   11.2790   -5.3040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  1  1  0  0  0  0
 13  7  1  0  0  0  0
 14 17  1  0  0  0  0
 15  9  2  0  0  0  0
 16  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
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 20 12  1  0  0  0  0
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 22 19  2  0  0  0  0
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 27 20  1  0  0  0  0
 28 24  1  0  0  0  0
 29 26  1  0  0  0  0
  4  5  2  0  0  0  0
 29 27  1  0  0  0  0
  8 15  1  0  0  0  0
 28 25  2  0  0  0  0
M  END
>  <Mol_ID> (595)
595

>  <Formula> (595)
C23H21NO5

>  <MolWeight> (595)
391.41654

>  <PCAT_CMPD_ID> (595)
WAY-217617

>  <CNC_ID> (595)
359313808

>  <transfer_container_id> (595)
PTN000000065

>  <COMPOUND_NUMBER> (595)
WAY-217617

>  <LOCATION_CODE> (595)
PTNCS

>  <AMOUNT_CURRENT> (595)
33.8

$$$$
WAY-117114
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.2542    1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3250    0.3375    0.0000 O   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  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  1  2  0  0  0  0
 15  2  2  0  0  0  0
 16  7  2  0  0  0  0
 17  6  2  0  0  0  0
 18  9  2  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21  8  2  0  0  0  0
 22 10  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25  9  1  0  0  0  0
 24 19  2  0  0  0  0
 21 22  1  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (596)
596

>  <Formula> (596)
C17H12N2O6

>  <MolWeight> (596)
340.28698

>  <PCAT_CMPD_ID> (596)
WAY-117114

>  <CNC_ID> (596)
359340067

>  <transfer_container_id> (596)
PTN000000068

>  <COMPOUND_NUMBER> (596)
WAY-117114

>  <LOCATION_CODE> (596)
PTNCS

>  <AMOUNT_CURRENT> (596)
33.1

$$$$
WAY-232330
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4469    2.8241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8684    4.2312    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6550    2.1259    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  5  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  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17  7  1  0  0  0  0
 18 14  1  0  0  0  0
  2  6  1  0  0  0  0
 11  7  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (597)
597

>  <Formula> (597)
C15H17NO2

>  <MolWeight> (597)
243.30098

>  <PCAT_CMPD_ID> (597)
WAY-232330

>  <CNC_ID> (597)
359340242

>  <transfer_container_id> (597)
PTN000000068

>  <COMPOUND_NUMBER> (597)
WAY-232330

>  <LOCATION_CODE> (597)
PTNCS

>  <AMOUNT_CURRENT> (597)
33.2

$$$$
WAY-296803
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4621    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8828   -0.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1621    1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4448   -0.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  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
  8 13  2  0  0  0  0
 10 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  2  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
 21 23  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (598)
598

>  <Formula> (598)
C17H13N3O3

>  <MolWeight> (598)
307.30342

>  <PCAT_CMPD_ID> (598)
WAY-296803

>  <CNC_ID> (598)
359343247

>  <transfer_container_id> (598)
PTN000000068

>  <COMPOUND_NUMBER> (598)
WAY-296803

>  <LOCATION_CODE> (598)
PTNCS

>  <AMOUNT_CURRENT> (598)
33.2

$$$$
WAY-296820
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.4690   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1276   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -1.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -1.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6690    0.6241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5276   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  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
  9 13  2  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
 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
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (599)
599

>  <Formula> (599)
C18H15NO

>  <MolWeight> (599)
261.3178

>  <PCAT_CMPD_ID> (599)
WAY-296820

>  <CNC_ID> (599)
359343264

>  <transfer_container_id> (599)
PTN000000068

>  <COMPOUND_NUMBER> (599)
WAY-296820

>  <LOCATION_CODE> (599)
PTNCS

>  <AMOUNT_CURRENT> (599)
33.3

$$$$
WAY-296842
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5550    0.3037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 17 19  1  0  0  0  0
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  5  7  1  0  0  0  0
 11 14  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (600)
600

>  <Formula> (600)
C15H20N4O2

>  <MolWeight> (600)
288.3449

>  <PCAT_CMPD_ID> (600)
WAY-296842

>  <CNC_ID> (600)
359343286

>  <transfer_container_id> (600)
PTN000000068

>  <COMPOUND_NUMBER> (600)
WAY-296842

>  <LOCATION_CODE> (600)
PTNCS

>  <AMOUNT_CURRENT> (600)
33.5

$$$$
WAY-296847
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
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  8 10  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (601)
601

>  <Formula> (601)
C12H12N4O

>  <MolWeight> (601)
228.24988

>  <PCAT_CMPD_ID> (601)
WAY-296847

>  <CNC_ID> (601)
359343291

>  <transfer_container_id> (601)
PTN000000068

>  <COMPOUND_NUMBER> (601)
WAY-296847

>  <LOCATION_CODE> (601)
PTNCS

>  <AMOUNT_CURRENT> (601)
33.3

$$$$
WAY-296919
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.6966    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 15 18  1  0  0  0  0
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 17 20  1  0  0  0  0
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  7 11  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (602)
602

>  <Formula> (602)
C17H15ClN2O3

>  <MolWeight> (602)
330.7656

>  <PCAT_CMPD_ID> (602)
WAY-296919

>  <CNC_ID> (602)
359343363

>  <transfer_container_id> (602)
PTN000000068

>  <COMPOUND_NUMBER> (602)
WAY-296919

>  <LOCATION_CODE> (602)
PTNCS

>  <AMOUNT_CURRENT> (602)
33.5

$$$$
WAY-296974
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
  8 11  2  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (603)
603

>  <Formula> (603)
C18H16Cl2N2O3

>  <MolWeight> (603)
379.23724

>  <PCAT_CMPD_ID> (603)
WAY-296974

>  <CNC_ID> (603)
359343418

>  <transfer_container_id> (603)
PTN000000068

>  <COMPOUND_NUMBER> (603)
WAY-296974

>  <LOCATION_CODE> (603)
PTNCS

>  <AMOUNT_CURRENT> (603)
33.2

$$$$
WAY-335405
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7 13  1  0  0  0  0
  8  5  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  3  1  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 10  2  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
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 25 20  1  0  0  0  0
 26 19  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  1  0  0  0  0
  6  5  2  0  0  0  0
 24 27  1  0  0  0  0
 22 28  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (604)
604

>  <Formula> (604)
C22H22N4OS

>  <MolWeight> (604)
390.50128

>  <PCAT_CMPD_ID> (604)
WAY-335405

>  <CNC_ID> (604)
359344666

>  <transfer_container_id> (604)
PTN000000075

>  <COMPOUND_NUMBER> (604)
WAY-335405

>  <LOCATION_CODE> (604)
PTNCS

>  <AMOUNT_CURRENT> (604)
32.8

$$$$
CL-326880
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
  5  4  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
>  <Mol_ID> (605)
605

>  <Formula> (605)
C11H16N2O

>  <MolWeight> (605)
192.25754

>  <PCAT_CMPD_ID> (605)
CL-326880

>  <CNC_ID> (605)
359353724

>  <transfer_container_id> (605)
PTN000000069

>  <COMPOUND_NUMBER> (605)
CL-326880

>  <LOCATION_CODE> (605)
PTNCS

>  <AMOUNT_CURRENT> (605)
33.1

$$$$
CL-423014
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  6  9  1  0  0  0  0
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 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (606)
606

>  <Formula> (606)
C19H18F3N5O

>  <MolWeight> (606)
389.3743296

>  <PCAT_CMPD_ID> (606)
CL-423014

>  <CNC_ID> (606)
359353800

>  <transfer_container_id> (606)
PTN000000069

>  <COMPOUND_NUMBER> (606)
CL-423014

>  <LOCATION_CODE> (606)
PTNCS

>  <AMOUNT_CURRENT> (606)
33.4

$$$$
CL-57130
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.7592   -0.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3546    3.7497    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
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 15 18  1  0  0  0  0
  6  9  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (607)
607

>  <Formula> (607)
C16H14N2

>  <MolWeight> (607)
234.29576

>  <PCAT_CMPD_ID> (607)
CL-57130

>  <CNC_ID> (607)
359353814

>  <transfer_container_id> (607)
PTN000000069

>  <COMPOUND_NUMBER> (607)
CL-57130

>  <LOCATION_CODE> (607)
PTNCS

>  <AMOUNT_CURRENT> (607)
33.3

$$$$
GI-577507
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.6640   -0.6775    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9866   -1.6315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  9 13  1  0  0  0  0
 11 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  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  8  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (608)
608

>  <Formula> (608)
C18H25NO3

>  <MolWeight> (608)
303.396

>  <PCAT_CMPD_ID> (608)
GI-577507

>  <CNC_ID> (608)
359353867

>  <transfer_container_id> (608)
PTN000000069

>  <COMPOUND_NUMBER> (608)
GI-577507

>  <LOCATION_CODE> (608)
PTNCS

>  <AMOUNT_CURRENT> (608)
33.1

$$$$
WAY-113324-A
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.9862    0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448    0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6069    1.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4689    0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6000   -2.3593    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
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 10 11  1  0  0  0  0
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  7  9  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (609)
609

>  <Formula> (609)
C14H17N

>  <MolWeight> (609)
199.29148

>  <PCAT_CMPD_ID> (609)
WAY-113324-A

>  <CNC_ID> (609)
359353885

>  <transfer_container_id> (609)
PTN000000069

>  <COMPOUND_NUMBER> (609)
WAY-113324-A

>  <LOCATION_CODE> (609)
PTNCS

>  <AMOUNT_CURRENT> (609)
33.5

$$$$
WAY-250395
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.5333   -1.8042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
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 17 15  1  0  0  0  0
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 19  4  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
  8  3  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (610)
610

>  <Formula> (610)
C15H21NO4S

>  <MolWeight> (610)
311.39654

>  <PCAT_CMPD_ID> (610)
WAY-250395

>  <CNC_ID> (610)
359354232

>  <transfer_container_id> (610)
PTN000000069

>  <COMPOUND_NUMBER> (610)
WAY-250395

>  <LOCATION_CODE> (610)
PTNCS

>  <AMOUNT_CURRENT> (610)
33.5

$$$$
WAY-233250
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3450   -0.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8 13  2  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (611)
611

>  <Formula> (611)
C13H16N2OS

>  <MolWeight> (611)
248.34394

>  <PCAT_CMPD_ID> (611)
WAY-233250

>  <CNC_ID> (611)
359354107

>  <transfer_container_id> (611)
PTN000000069

>  <COMPOUND_NUMBER> (611)
WAY-233250

>  <LOCATION_CODE> (611)
PTNCS

>  <AMOUNT_CURRENT> (611)
33.1

$$$$
WAY-298309
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4586   -1.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (612)
612

>  <Formula> (612)
C13H12N2O3S

>  <MolWeight> (612)
276.31098

>  <PCAT_CMPD_ID> (612)
WAY-298309

>  <CNC_ID> (612)
359357303

>  <transfer_container_id> (612)
PTN000000069

>  <COMPOUND_NUMBER> (612)
WAY-298309

>  <LOCATION_CODE> (612)
PTNCS

>  <AMOUNT_CURRENT> (612)
33.1

$$$$
WAY-298600
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  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 13  1  0  0  0  0
 16 14  2  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
  4  3  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (613)
613

>  <Formula> (613)
C11H14N6O

>  <MolWeight> (613)
246.26846

>  <PCAT_CMPD_ID> (613)
WAY-298600

>  <CNC_ID> (613)
359357594

>  <transfer_container_id> (613)
PTN000000069

>  <COMPOUND_NUMBER> (613)
WAY-298600

>  <LOCATION_CODE> (613)
PTNCS

>  <AMOUNT_CURRENT> (613)
33.2

$$$$
WAY-298614
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.2789   -0.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9271    0.9212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3582   -1.2582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4133   -0.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3453    1.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6306    2.0315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9142   -0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2237   -2.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
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  7 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
 12 13  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (614)
614

>  <Formula> (614)
C15H18N6

>  <MolWeight> (614)
282.34362

>  <PCAT_CMPD_ID> (614)
WAY-298614

>  <CNC_ID> (614)
359357608

>  <transfer_container_id> (614)
PTN000000069

>  <COMPOUND_NUMBER> (614)
WAY-298614

>  <LOCATION_CODE> (614)
PTNCS

>  <AMOUNT_CURRENT> (614)
33.2

$$$$
WAY-298723
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.9897   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1103   -0.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3103    0.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3103    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  7  9  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (615)
615

>  <Formula> (615)
C15H18N2O2S

>  <MolWeight> (615)
290.38062

>  <PCAT_CMPD_ID> (615)
WAY-298723

>  <CNC_ID> (615)
359357717

>  <transfer_container_id> (615)
PTN000000069

>  <COMPOUND_NUMBER> (615)
WAY-298723

>  <LOCATION_CODE> (615)
PTNCS

>  <AMOUNT_CURRENT> (615)
33.1

$$$$
WAY-298942
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.0586   -0.3069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8207   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6586   -0.9690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1414    2.2931    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
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7  8  1  0  0  0  0
 11 15  2  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (616)
616

>  <Formula> (616)
C19H22N2O3

>  <MolWeight> (616)
326.38958

>  <PCAT_CMPD_ID> (616)
WAY-298942

>  <CNC_ID> (616)
359357936

>  <transfer_container_id> (616)
PTN000000069

>  <COMPOUND_NUMBER> (616)
WAY-298942

>  <LOCATION_CODE> (616)
PTNCS

>  <AMOUNT_CURRENT> (616)
33.3

$$$$
WAY-299467
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1759    0.0931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3345   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 19  2  0  0  0  0
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 13 22  1  0  0  0  0
 16 23  1  0  0  0  0
 18 24  2  0  0  0  0
 20 25  2  0  0  0  0
  7 11  1  0  0  0  0
 13 20  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (617)
617

>  <Formula> (617)
C18H19N3O4

>  <MolWeight> (617)
341.36116

>  <PCAT_CMPD_ID> (617)
WAY-299467

>  <CNC_ID> (617)
359358461

>  <transfer_container_id> (617)
PTN000000069

>  <COMPOUND_NUMBER> (617)
WAY-299467

>  <LOCATION_CODE> (617)
PTNCS

>  <AMOUNT_CURRENT> (617)
33.2

$$$$
WAY-320213
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.0103   -0.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  2  0  0  0  0
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 22 24  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (618)
618

>  <Formula> (618)
C21H16N2O4S2

>  <MolWeight> (618)
424.49274

>  <PCAT_CMPD_ID> (618)
WAY-320213

>  <CNC_ID> (618)
359358544

>  <transfer_container_id> (618)
PTN000000069

>  <COMPOUND_NUMBER> (618)
WAY-320213

>  <LOCATION_CODE> (618)
PTNCS

>  <AMOUNT_CURRENT> (618)
32.6

$$$$
WAY-382614
csChFnd80/10101909502D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 35 20  1  0  0  0  0
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 29  2  1  0  0  0  0
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 28 16  2  0  0  0  0
 25 17  2  0  0  0  0
M  END
>  <Mol_ID> (619)
619

>  <Formula> (619)
C28H36N2O5

>  <MolWeight> (619)
480.59584

>  <PCAT_CMPD_ID> (619)
WAY-382614

>  <CNC_ID> (619)
359360775

>  <transfer_container_id> (619)
PTN000000069

>  <COMPOUND_NUMBER> (619)
WAY-382614

>  <LOCATION_CODE> (619)
PTNCS

>  <AMOUNT_CURRENT> (619)
32.4

$$$$
WAY-382616
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
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 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17  3  2  0  0  0  0
 18  6  2  0  0  0  0
 19 15  2  0  0  0  0
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 26 25  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (620)
620

>  <Formula> (620)
C19H10Cl2N2O3S

>  <MolWeight> (620)
417.2653

>  <PCAT_CMPD_ID> (620)
WAY-382616

>  <CNC_ID> (620)
359360777

>  <transfer_container_id> (620)
PTN000000069

>  <COMPOUND_NUMBER> (620)
WAY-382616

>  <LOCATION_CODE> (620)
PTNCS

>  <AMOUNT_CURRENT> (620)
32.2

$$$$
WAY-382668
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10 13  2  0  0  0  0
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  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (621)
621

>  <Formula> (621)
C15H12N2S

>  <MolWeight> (621)
252.33418

>  <PCAT_CMPD_ID> (621)
WAY-382668

>  <CNC_ID> (621)
359360829

>  <transfer_container_id> (621)
PTN000000069

>  <COMPOUND_NUMBER> (621)
WAY-382668

>  <LOCATION_CODE> (621)
PTNCS

>  <AMOUNT_CURRENT> (621)
32.4

$$$$
WAY-382676
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 11  7  2  0  0  0  0
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 13  8  2  0  0  0  0
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 17  7  1  0  0  0  0
 18  4  2  0  0  0  0
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 11  9  1  0  0  0  0
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 26 24  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (622)
622

>  <Formula> (622)
C22H21N3O3S2

>  <MolWeight> (622)
439.55044

>  <PCAT_CMPD_ID> (622)
WAY-382676

>  <CNC_ID> (622)
359360835

>  <transfer_container_id> (622)
PTN000000069

>  <COMPOUND_NUMBER> (622)
WAY-382676

>  <LOCATION_CODE> (622)
PTNCS

>  <AMOUNT_CURRENT> (622)
32.4

$$$$
WAY-382687
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  4 10  1  0  0  0  0
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 19 24  2  0  0  0  0
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 25 26  1  0  0  0  0
  9 13  2  0  0  0  0
 14 15  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (623)
623

>  <Formula> (623)
C16H13F3N4O2S

>  <MolWeight> (623)
382.3602296

>  <PCAT_CMPD_ID> (623)
WAY-382687

>  <CNC_ID> (623)
359360846

>  <transfer_container_id> (623)
PTN000000069

>  <COMPOUND_NUMBER> (623)
WAY-382687

>  <LOCATION_CODE> (623)
PTNCS

>  <AMOUNT_CURRENT> (623)
32.3

$$$$
WAY-382691
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.2792   -2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9 11  1  0  0  0  0
 10  9  1  0  0  0  0
 11 16  1  0  0  0  0
 12  1  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
 16  6  1  0  0  0  0
 17  3  1  0  0  0  0
 18  5  1  0  0  0  0
 19  4  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
  3  4  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (624)
624

>  <Formula> (624)
C17H21NO4S

>  <MolWeight> (624)
335.41794

>  <PCAT_CMPD_ID> (624)
WAY-382691

>  <CNC_ID> (624)
359360850

>  <transfer_container_id> (624)
PTN000000069

>  <COMPOUND_NUMBER> (624)
WAY-382691

>  <LOCATION_CODE> (624)
PTNCS

>  <AMOUNT_CURRENT> (624)
33

$$$$
WAY-382717
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.4750   -3.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
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  7  1  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 18  1  0  0  0  0
 13 17  2  0  0  0  0
 14  3  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 10 11  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
>  <Mol_ID> (625)
625

>  <Formula> (625)
C12H15NO4S

>  <MolWeight> (625)
269.3168

>  <PCAT_CMPD_ID> (625)
WAY-382717

>  <CNC_ID> (625)
359360876

>  <transfer_container_id> (625)
PTN000000069

>  <COMPOUND_NUMBER> (625)
WAY-382717

>  <LOCATION_CODE> (625)
PTNCS

>  <AMOUNT_CURRENT> (625)
32.5

$$$$
WAY-382767
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.8000   -3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 12  1  0  0  0  0
 18 10  2  0  0  0  0
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 20 11  1  0  0  0  0
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 22 15  1  0  0  0  0
 23  9  1  0  0  0  0
  9 14  1  0  0  0  0
 18 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (626)
626

>  <Formula> (626)
C17H14Cl2N2OS

>  <MolWeight> (626)
365.27686

>  <PCAT_CMPD_ID> (626)
WAY-382767

>  <CNC_ID> (626)
359360926

>  <transfer_container_id> (626)
PTN000000069

>  <COMPOUND_NUMBER> (626)
WAY-382767

>  <LOCATION_CODE> (626)
PTNCS

>  <AMOUNT_CURRENT> (626)
32.4

$$$$
WAY-382787
csChFnd80/10101909502D

 13 15  0  0  0  0  0  0  0  0999 V2000
    0.3942    0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0472    0.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  8 10  2  0  0  0  0
 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (627)
627

>  <Formula> (627)
C11H10N2

>  <MolWeight> (627)
170.2105

>  <PCAT_CMPD_ID> (627)
WAY-382787

>  <CNC_ID> (627)
359360946

>  <transfer_container_id> (627)
PTN000000069

>  <COMPOUND_NUMBER> (627)
WAY-382787

>  <LOCATION_CODE> (627)
PTNCS

>  <AMOUNT_CURRENT> (627)
32.3

$$$$
WAY-383411
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
 14 20  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (628)
628

>  <Formula> (628)
C19H16ClN5

>  <MolWeight> (628)
349.81684

>  <PCAT_CMPD_ID> (628)
WAY-383411

>  <CNC_ID> (628)
359360997

>  <transfer_container_id> (628)
PTN000000069

>  <COMPOUND_NUMBER> (628)
WAY-383411

>  <LOCATION_CODE> (628)
PTNCS

>  <AMOUNT_CURRENT> (628)
32.2

$$$$
CL-151067
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.5118    0.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678   -0.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4382    0.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  2  1  0  0  0  0
  6  7  1  0  0  0  0
 12  4  2  0  0  0  0
 10  5  2  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
  3 13  2  0  0  0  0
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  8 15  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (629)
629

>  <Formula> (629)
C11H10N2O2

>  <MolWeight> (629)
202.2093

>  <PCAT_CMPD_ID> (629)
CL-151067

>  <CNC_ID> (629)
359367377

>  <transfer_container_id> (629)
PTN000000070

>  <COMPOUND_NUMBER> (629)
CL-151067

>  <LOCATION_CODE> (629)
PTNCS

>  <AMOUNT_CURRENT> (629)
32.3

$$$$
CL-292468
csChFnd80/10101909502D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.6662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6662    1.5399    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.6662   -0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6662    2.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6717    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  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
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (630)
630

>  <Formula> (630)
C9H14N2O3

>  <MolWeight> (630)
198.21906

>  <PCAT_CMPD_ID> (630)
CL-292468

>  <CNC_ID> (630)
359367386

>  <transfer_container_id> (630)
PTN000000070

>  <COMPOUND_NUMBER> (630)
CL-292468

>  <LOCATION_CODE> (630)
PTNCS

>  <AMOUNT_CURRENT> (630)
33.4

$$$$
CL-416941
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.6120    0.1571    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1516    1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7331   -1.1644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  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
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  8 13  1  0  0  0  0
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  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 16 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
 22 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
  7 10  1  0  0  0  0
 12 17  1  0  0  0  0
 20 22  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (631)
631

>  <Formula> (631)
C23H25N3O3

>  <MolWeight> (631)
391.4629

>  <PCAT_CMPD_ID> (631)
CL-416941

>  <CNC_ID> (631)
359367458

>  <transfer_container_id> (631)
PTN000000070

>  <COMPOUND_NUMBER> (631)
CL-416941

>  <LOCATION_CODE> (631)
PTNCS

>  <AMOUNT_CURRENT> (631)
33.3

$$$$
GI-558878
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -3.1687   -0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7490   -0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7490   -1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3741   -2.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  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  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
 15 19  2  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (632)
632

>  <Formula> (632)
C15H16N2O2

>  <MolWeight> (632)
256.29974

>  <PCAT_CMPD_ID> (632)
GI-558878

>  <CNC_ID> (632)
359367528

>  <transfer_container_id> (632)
PTN000000070

>  <COMPOUND_NUMBER> (632)
GI-558878

>  <LOCATION_CODE> (632)
PTNCS

>  <AMOUNT_CURRENT> (632)
33.2

$$$$
WAY-114281
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 11 13  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  4  2  0  0  0  0
 16  6  1  0  0  0  0
 17 16  2  0  0  0  0
 18  8  1  0  0  0  0
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 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
  4  5  1  0  0  0  0
 20 12  2  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (633)
633

>  <Formula> (633)
C15H10N2O4

>  <MolWeight> (633)
282.2509

>  <PCAT_CMPD_ID> (633)
WAY-114281

>  <CNC_ID> (633)
359367582

>  <transfer_container_id> (633)
PTN000000070

>  <COMPOUND_NUMBER> (633)
WAY-114281

>  <LOCATION_CODE> (633)
PTNCS

>  <AMOUNT_CURRENT> (633)
33.1

$$$$
WAY-224714
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11 17  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
 14  6  2  0  0  0  0
 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  2  0  0  0  0
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 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
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 11 10  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (634)
634

>  <Formula> (634)
C15H11N5O3S

>  <MolWeight> (634)
341.34454

>  <PCAT_CMPD_ID> (634)
WAY-224714

>  <CNC_ID> (634)
359367736

>  <transfer_container_id> (634)
PTN000000070

>  <COMPOUND_NUMBER> (634)
WAY-224714

>  <LOCATION_CODE> (634)
PTNCS

>  <AMOUNT_CURRENT> (634)
33

$$$$
WAY-228830
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 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
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (635)
635

>  <Formula> (635)
C15H17ClN2O3

>  <MolWeight> (635)
308.76008

>  <PCAT_CMPD_ID> (635)
WAY-228830

>  <CNC_ID> (635)
359367762

>  <transfer_container_id> (635)
PTN000000070

>  <COMPOUND_NUMBER> (635)
WAY-228830

>  <LOCATION_CODE> (635)
PTNCS

>  <AMOUNT_CURRENT> (635)
33.3

$$$$
WAY-233681
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8213    2.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
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  4  6  1  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (636)
636

>  <Formula> (636)
C14H14N2O2

>  <MolWeight> (636)
242.27316

>  <PCAT_CMPD_ID> (636)
WAY-233681

>  <CNC_ID> (636)
359367818

>  <transfer_container_id> (636)
PTN000000070

>  <COMPOUND_NUMBER> (636)
WAY-233681

>  <LOCATION_CODE> (636)
PTNCS

>  <AMOUNT_CURRENT> (636)
33.3

$$$$
WAY-236599
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.0885   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  7  9  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 15  2  0  0  0  0
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  5  6  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C11H11N3O2S

>  <MolWeight> (637)
249.28894

>  <PCAT_CMPD_ID> (637)
WAY-236599

>  <CNC_ID> (637)
359367861

>  <transfer_container_id> (637)
PTN000000070

>  <COMPOUND_NUMBER> (637)
WAY-236599

>  <LOCATION_CODE> (637)
PTNCS

>  <AMOUNT_CURRENT> (637)
33.2

$$$$
WAY-300024
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 22 24  2  0  0  0  0
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 15 16  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (638)
638

>  <Formula> (638)
C16H11Cl2N3O2S

>  <MolWeight> (638)
380.24844

>  <PCAT_CMPD_ID> (638)
WAY-300024

>  <CNC_ID> (638)
359370702

>  <transfer_container_id> (638)
PTN000000070

>  <COMPOUND_NUMBER> (638)
WAY-300024

>  <LOCATION_CODE> (638)
PTNCS

>  <AMOUNT_CURRENT> (638)
33.2

$$$$
WAY-299809
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 20 22  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (639)
639

>  <Formula> (639)
C20H19NO

>  <MolWeight> (639)
289.37096

>  <PCAT_CMPD_ID> (639)
WAY-299809

>  <CNC_ID> (639)
359370486

>  <transfer_container_id> (639)
PTN000000070

>  <COMPOUND_NUMBER> (639)
WAY-299809

>  <LOCATION_CODE> (639)
PTNCS

>  <AMOUNT_CURRENT> (639)
33.1

$$$$
WAY-299925
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  2  1  0  0  0  0
 12 14  1  0  0  0  0
 13  1  1  0  0  0  0
 14 21  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  2  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
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 22  4  1  0  0  0  0
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 24  6  1  0  0  0  0
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 20 14  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (640)
640

>  <Formula> (640)
C19H19N3O4

>  <MolWeight> (640)
353.37186

>  <PCAT_CMPD_ID> (640)
WAY-299925

>  <CNC_ID> (640)
359370603

>  <transfer_container_id> (640)
PTN000000070

>  <COMPOUND_NUMBER> (640)
WAY-299925

>  <LOCATION_CODE> (640)
PTNCS

>  <AMOUNT_CURRENT> (640)
33.1

$$$$
WAY-299947
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 16 20  2  0  0  0  0
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  5  7  1  0  0  0  0
 14 15  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (641)
641

>  <Formula> (641)
C17H17ClN2O3

>  <MolWeight> (641)
332.78148

>  <PCAT_CMPD_ID> (641)
WAY-299947

>  <CNC_ID> (641)
359370625

>  <transfer_container_id> (641)
PTN000000070

>  <COMPOUND_NUMBER> (641)
WAY-299947

>  <LOCATION_CODE> (641)
PTNCS

>  <AMOUNT_CURRENT> (641)
33.4

$$$$
WAY-300455
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 27 29  1  0  0  0  0
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 10 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (642)
642

>  <Formula> (642)
C19H20F3N3O3S

>  <MolWeight> (642)
427.4406096

>  <PCAT_CMPD_ID> (642)
WAY-300455

>  <CNC_ID> (642)
359371098

>  <transfer_container_id> (642)
PTN000000070

>  <COMPOUND_NUMBER> (642)
WAY-300455

>  <LOCATION_CODE> (642)
PTNCS

>  <AMOUNT_CURRENT> (642)
33.2

$$$$
WAY-300468
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.1276   -0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (643)
643

>  <Formula> (643)
C8H9N3O

>  <MolWeight> (643)
163.17656

>  <PCAT_CMPD_ID> (643)
WAY-300468

>  <CNC_ID> (643)
359371111

>  <transfer_container_id> (643)
PTN000000070

>  <COMPOUND_NUMBER> (643)
WAY-300468

>  <LOCATION_CODE> (643)
PTNCS

>  <AMOUNT_CURRENT> (643)
33

$$$$
WAY-300549
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10 14  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (644)
644

>  <Formula> (644)
C20H21N3O

>  <MolWeight> (644)
319.40024

>  <PCAT_CMPD_ID> (644)
WAY-300549

>  <CNC_ID> (644)
359371192

>  <transfer_container_id> (644)
PTN000000070

>  <COMPOUND_NUMBER> (644)
WAY-300549

>  <LOCATION_CODE> (644)
PTNCS

>  <AMOUNT_CURRENT> (644)
33.4

$$$$
WAY-301232
csChFnd80/10101909502D

 27 33  0  0  0  0  0  0  0  0999 V2000
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 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 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
 21 24  1  0  0  0  0
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 23 27  1  0  0  0  0
  7 13  2  0  0  0  0
  9 11  2  0  0  0  0
 10 15  2  0  0  0  0
 14 16  1  0  0  0  0
 18 20  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (645)
645

>  <Formula> (645)
C24H14N2O

>  <MolWeight> (645)
346.38076

>  <PCAT_CMPD_ID> (645)
WAY-301232

>  <CNC_ID> (645)
359371571

>  <transfer_container_id> (645)
PTN000000070

>  <COMPOUND_NUMBER> (645)
WAY-301232

>  <LOCATION_CODE> (645)
PTNCS

>  <AMOUNT_CURRENT> (645)
33.3

$$$$
WAY-301513
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
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 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
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 24 26  1  0  0  0  0
  6  7  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (646)
646

>  <Formula> (646)
C21H24N4S

>  <MolWeight> (646)
364.50706

>  <PCAT_CMPD_ID> (646)
WAY-301513

>  <CNC_ID> (646)
359371851

>  <transfer_container_id> (646)
PTN000000070

>  <COMPOUND_NUMBER> (646)
WAY-301513

>  <LOCATION_CODE> (646)
PTNCS

>  <AMOUNT_CURRENT> (646)
33.5

$$$$
WAY-386405
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  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
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 13  1  0  0  0  0
  8  9  1  0  0  0  0
  6  5  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (647)
647

>  <Formula> (647)
C15H14N2OS2

>  <MolWeight> (647)
302.41446

>  <PCAT_CMPD_ID> (647)
WAY-386405

>  <CNC_ID> (647)
359372206

>  <transfer_container_id> (647)
PTN000000070

>  <COMPOUND_NUMBER> (647)
WAY-386405

>  <LOCATION_CODE> (647)
PTNCS

>  <AMOUNT_CURRENT> (647)
32.5

$$$$
WAY-386527
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
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 13 18  1  0  0  0  0
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 15 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 12  2  0  0  0  0
  9 14  2  0  0  0  0
 15 16  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (648)
648

>  <Formula> (648)
C20H18N4

>  <MolWeight> (648)
314.38372

>  <PCAT_CMPD_ID> (648)
WAY-386527

>  <CNC_ID> (648)
359372327

>  <transfer_container_id> (648)
PTN000000070

>  <COMPOUND_NUMBER> (648)
WAY-386527

>  <LOCATION_CODE> (648)
PTNCS

>  <AMOUNT_CURRENT> (648)
32.5

$$$$
WAY-388276-A
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  2  0  0  0  0
 11 12  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (649)
649

>  <Formula> (649)
C11H11NO2S2

>  <MolWeight> (649)
253.34054

>  <PCAT_CMPD_ID> (649)
WAY-388276-A

>  <CNC_ID> (649)
359372420

>  <transfer_container_id> (649)
PTN000000070

>  <COMPOUND_NUMBER> (649)
WAY-388276-A

>  <LOCATION_CODE> (649)
PTNCS

>  <AMOUNT_CURRENT> (649)
32.4

$$$$
WAY-388293
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10  3  2  0  0  0  0
 11 16  2  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  3  1  0  0  0  0
 16 13  1  0  0  0  0
 17 20  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  1  0  0  0  0
 24  8  1  0  0  0  0
 25  6  1  0  0  0  0
 26 17  1  0  0  0  0
 17 21  2  0  0  0  0
  8  5  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (650)
650

>  <Formula> (650)
C21H23NO4

>  <MolWeight> (650)
353.41162

>  <PCAT_CMPD_ID> (650)
WAY-388293

>  <CNC_ID> (650)
359372436

>  <transfer_container_id> (650)
PTN000000070

>  <COMPOUND_NUMBER> (650)
WAY-388293

>  <LOCATION_CODE> (650)
PTNCS

>  <AMOUNT_CURRENT> (650)
32.8

$$$$
WAY-388688
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.5250    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    1.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125    3.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5167    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.8167    1.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292    1.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7417    3.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7667    3.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    0.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4542    3.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9542    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    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  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16  3  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 17 16  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (651)
651

>  <Formula> (651)
C15H20N2O2S

>  <MolWeight> (651)
292.3965

>  <PCAT_CMPD_ID> (651)
WAY-388688

>  <CNC_ID> (651)
359372826

>  <transfer_container_id> (651)
PTN000000070

>  <COMPOUND_NUMBER> (651)
WAY-388688

>  <LOCATION_CODE> (651)
PTNCS

>  <AMOUNT_CURRENT> (651)
32.6

$$$$
WAY-388705
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.3292   -5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7375   -7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000  -12.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917   -6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -8.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1625   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9375   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750  -11.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0500   -6.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3042   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6042   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8250  -11.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5667  -10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9250  -13.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5500   -6.5375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -4.5792    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9792   -9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6417   -5.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8 13  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12  9  1  0  0  0  0
 13 20  1  0  0  0  0
 14 19  2  0  0  0  0
 15  3  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  2  0  0  0  0
 21 23  1  0  0  0  0
 22  6  1  0  0  0  0
 23  7  2  0  0  0  0
 24  9  1  0  0  0  0
 21 22  2  0  0  0  0
  8 14  1  0  0  0  0
M  END
>  <Mol_ID> (652)
652

>  <Formula> (652)
C17H17ClFN3O2

>  <MolWeight> (652)
349.7871832

>  <PCAT_CMPD_ID> (652)
WAY-388705

>  <CNC_ID> (652)
359372843

>  <transfer_container_id> (652)
PTN000000070

>  <COMPOUND_NUMBER> (652)
WAY-388705

>  <LOCATION_CODE> (652)
PTNCS

>  <AMOUNT_CURRENT> (652)
32.6

$$$$
WAY-388730
csChFnd80/10101909502D

 33 35  0  0  0  0  0  0  0  0999 V2000
   15.2417  -11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -7.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792   -7.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917  -10.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1667   -8.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2417   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6042   -9.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9167  -10.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2250   -9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9167   -8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9667   -5.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7 19  2  0  0  0  0
  8 13  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11  4  1  0  0  0  0
 12  2  2  0  0  0  0
 13 10  1  0  0  0  0
 14  6  2  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17  1  1  0  0  0  0
 18 25  2  0  0  0  0
 19 26  1  0  0  0  0
 20  9  1  0  0  0  0
 21 22  1  0  0  0  0
 22  6  1  0  0  0  0
 23 21  1  0  0  0  0
 24 11  2  0  0  0  0
 25 23  1  0  0  0  0
 26 23  2  0  0  0  0
 27 24  1  0  0  0  0
 28  9  1  0  0  0  0
 29  5  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 24  1  0  0  0  0
 33 28  1  0  0  0  0
 13 31  2  0  0  0  0
 18  7  1  0  0  0  0
 27 20  2  0  0  0  0
M  END
>  <Mol_ID> (653)
653

>  <Formula> (653)
C24H21F3N2O4

>  <MolWeight> (653)
458.4297496

>  <PCAT_CMPD_ID> (653)
WAY-388730

>  <CNC_ID> (653)
359372868

>  <transfer_container_id> (653)
PTN000000070

>  <COMPOUND_NUMBER> (653)
WAY-388730

>  <LOCATION_CODE> (653)
PTNCS

>  <AMOUNT_CURRENT> (653)
32.1

$$$$
WAY-388826
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.9792   -6.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2167   -9.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3875   -8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1625   -6.5542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0292   -9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3542   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7375   -4.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5250   -4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1292   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  8  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9 15  2  0  0  0  0
 10  4  1  0  0  0  0
 11  1  2  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17 21  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23  4  1  0  0  0  0
  3  9  1  0  0  0  0
 17 22  2  0  0  0  0
  7 13  1  0  0  0  0
M  END
>  <Mol_ID> (654)
654

>  <Formula> (654)
C17H15FN2O2S

>  <MolWeight> (654)
330.3766032

>  <PCAT_CMPD_ID> (654)
WAY-388826

>  <CNC_ID> (654)
359372963

>  <transfer_container_id> (654)
PTN000000070

>  <COMPOUND_NUMBER> (654)
WAY-388826

>  <LOCATION_CODE> (654)
PTNCS

>  <AMOUNT_CURRENT> (654)
32.9

$$$$
WAY-388911
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.4875   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2250   -2.6917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6042   -3.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3792   -6.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7167   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8167   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1875   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3542   -3.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1000   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9542   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9 13  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  2  0  0  0  0
 13 15  1  0  0  0  0
 14 10  1  0  0  0  0
 15 20  2  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22  4  2  0  0  0  0
 23  8  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
  5  3  2  0  0  0  0
 25 23  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (655)
655

>  <Formula> (655)
C17H13F2N3O3

>  <MolWeight> (655)
345.3002264

>  <PCAT_CMPD_ID> (655)
WAY-388911

>  <CNC_ID> (655)
359373048

>  <transfer_container_id> (655)
PTN000000070

>  <COMPOUND_NUMBER> (655)
WAY-388911

>  <LOCATION_CODE> (655)
PTNCS

>  <AMOUNT_CURRENT> (655)
32.3

$$$$
WAY-388945
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.8292   -5.4417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -6.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6000   -9.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2292  -10.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3500   -9.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   14.1000   -9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2125   -8.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3542   -9.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000  -10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5167  -12.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1500  -13.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3042   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -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  8  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6 15  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17  7  1  0  0  0  0
 18  3  2  0  0  0  0
 19 17  2  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 17  1  0  0  0  0
 25  8  1  0  0  0  0
 26 21  2  0  0  0  0
 27 21  1  0  0  0  0
 28 24  1  0  0  0  0
 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
 16  6  1  0  0  0  0
 30 31  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (656)
656

>  <Formula> (656)
C22H26ClN3O4S

>  <MolWeight> (656)
463.97754

>  <PCAT_CMPD_ID> (656)
WAY-388945

>  <CNC_ID> (656)
359373082

>  <transfer_container_id> (656)
PTN000000070

>  <COMPOUND_NUMBER> (656)
WAY-388945

>  <LOCATION_CODE> (656)
PTNCS

>  <AMOUNT_CURRENT> (656)
32.3

$$$$
WAY-389078
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.3125   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0250   -2.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3042   -3.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7292   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -3.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -4.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7250   -2.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4500   -4.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1667   -1.2750    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 12  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12 16  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 19  1  0  0  0  0
 17  5  1  0  0  0  0
 18  5  1  0  0  0  0
 19 15  2  0  0  0  0
 20 14  1  0  0  0  0
 21  2  2  0  0  0  0
 22  9  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
  9  6  1  0  0  0  0
 24 22  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (657)
657

>  <Formula> (657)
C17H12F2N2O2S

>  <MolWeight> (657)
346.3511864

>  <PCAT_CMPD_ID> (657)
WAY-389078

>  <CNC_ID> (657)
359373212

>  <transfer_container_id> (657)
PTN000000070

>  <COMPOUND_NUMBER> (657)
WAY-389078

>  <LOCATION_CODE> (657)
PTNCS

>  <AMOUNT_CURRENT> (657)
32.3

$$$$
WAY-389132
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.6042   -4.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -6.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6292   -6.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7667   -7.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417   -8.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3792   -5.5667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6417   -7.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7292   -5.5125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9417   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0667   -6.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750   -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  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 13  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 23  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 19 21  1  0  0  0  0
 20  8  1  0  0  0  0
 21  9  2  0  0  0  0
 22 10  1  0  0  0  0
 23 22  1  0  0  0  0
 24 18  1  0  0  0  0
  3  4  1  0  0  0  0
 16 18  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (658)
658

>  <Formula> (658)
C17H14Cl2N2O2S

>  <MolWeight> (658)
381.27626

>  <PCAT_CMPD_ID> (658)
WAY-389132

>  <CNC_ID> (658)
359373262

>  <transfer_container_id> (658)
PTN000000070

>  <COMPOUND_NUMBER> (658)
WAY-389132

>  <LOCATION_CODE> (658)
PTNCS

>  <AMOUNT_CURRENT> (658)
32.7

$$$$
WAY-389157
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    9.0250   -5.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -5.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042   -5.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2792   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7667   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1542   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0250   -2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -7.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3917   -6.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5292   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1375   -7.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -1.4042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8750   -8.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042   -6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6375   -8.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.4750    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  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14 17  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 20  2  0  0  0  0
 19  3  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
  9 12  1  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (659)
659

>  <Formula> (659)
C18H20FNO2

>  <MolWeight> (659)
301.3553032

>  <PCAT_CMPD_ID> (659)
WAY-389157

>  <CNC_ID> (659)
359373285

>  <transfer_container_id> (659)
PTN000000070

>  <COMPOUND_NUMBER> (659)
WAY-389157

>  <LOCATION_CODE> (659)
PTNCS

>  <AMOUNT_CURRENT> (659)
32.6

$$$$
WAY-389333
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
    7.1625   -6.4667    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -6.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8417   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2125   -6.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.4667   -7.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1875   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5500   -8.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -7.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6250   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -5.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1917   -4.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8625   -4.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -5.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6 15  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  2  0  0  0  0
  9  1  1  0  0  0  0
 10  7  2  0  0  0  0
 11  4  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 19  2  0  0  0  0
 17  3  2  0  0  0  0
 18  6  2  0  0  0  0
 19 17  1  0  0  0  0
 20 16  1  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25  9  1  0  0  0  0
 26 20  1  0  0  0  0
 27 22  2  0  0  0  0
 28 27  1  0  0  0  0
 16 10  1  0  0  0  0
 11  8  1  0  0  0  0
 23 28  2  0  0  0  0
M  END
>  <Mol_ID> (660)
660

>  <Formula> (660)
C20H25N3O4S

>  <MolWeight> (660)
403.4952

>  <PCAT_CMPD_ID> (660)
WAY-389333

>  <CNC_ID> (660)
359373458

>  <transfer_container_id> (660)
PTN000000070

>  <COMPOUND_NUMBER> (660)
WAY-389333

>  <LOCATION_CODE> (660)
PTNCS

>  <AMOUNT_CURRENT> (660)
32.7

$$$$
WAY-389363
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
   11.6875   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2875   -5.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5292   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1542   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1792  -10.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000  -10.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15 18  2  0  0  0  0
 16  8  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
 19  3  1  0  0  0  0
 20 15  1  0  0  0  0
 21  5  1  0  0  0  0
 22 16  2  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
 12  4  1  0  0  0  0
 27 25  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (661)
661

>  <Formula> (661)
C22H29N3O2

>  <MolWeight> (661)
367.48456

>  <PCAT_CMPD_ID> (661)
WAY-389363

>  <CNC_ID> (661)
359373487

>  <transfer_container_id> (661)
PTN000000070

>  <COMPOUND_NUMBER> (661)
WAY-389363

>  <LOCATION_CODE> (661)
PTNCS

>  <AMOUNT_CURRENT> (661)
32.4

$$$$
WAY-389680
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.0375  -14.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4583  -11.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  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 19  1  0  0  0  0
  8  5  2  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  4  1  0  0  0  0
 15 20  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  2  0  0  0  0
 18  1  1  0  0  0  0
 19 22  2  0  0  0  0
 20  2  1  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 19 21  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
>  <Mol_ID> (662)
662

>  <Formula> (662)
C15H14N2O4S

>  <MolWeight> (662)
318.34766

>  <PCAT_CMPD_ID> (662)
WAY-389680

>  <CNC_ID> (662)
359373798

>  <transfer_container_id> (662)
PTN000000070

>  <COMPOUND_NUMBER> (662)
WAY-389680

>  <LOCATION_CODE> (662)
PTNCS

>  <AMOUNT_CURRENT> (662)
32.1

$$$$
WAY-389426
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.8250   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8125   -3.7542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8 14  1  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  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 25  2  0  0  0  0
 18 13  2  0  0  0  0
 19 12  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
  5  4  2  0  0  0  0
 16 19  2  0  0  0  0
 17 24  1  0  0  0  0
M  END
>  <Mol_ID> (663)
663

>  <Formula> (663)
C16H11Cl2N3OS3

>  <MolWeight> (663)
428.37904

>  <PCAT_CMPD_ID> (663)
WAY-389426

>  <CNC_ID> (663)
359373552

>  <transfer_container_id> (663)
PTN000000070

>  <COMPOUND_NUMBER> (663)
WAY-389426

>  <LOCATION_CODE> (663)
PTNCS

>  <AMOUNT_CURRENT> (663)
32.9

$$$$
WAY-389477
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.8000   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8 12  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  3  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
  8 11  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (664)
664

>  <Formula> (664)
C17H25NO2

>  <MolWeight> (664)
275.3859

>  <PCAT_CMPD_ID> (664)
WAY-389477

>  <CNC_ID> (664)
359373602

>  <transfer_container_id> (664)
PTN000000070

>  <COMPOUND_NUMBER> (664)
WAY-389477

>  <LOCATION_CODE> (664)
PTNCS

>  <AMOUNT_CURRENT> (664)
32.3

$$$$
WAY-389518
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.5667   -4.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -7.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6125   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1875   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3417   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125   -5.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -3.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042   -8.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9417   -9.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6750  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8750  -11.1792    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  2  2  0  0  0  0
  8  5  2  0  0  0  0
  9  3  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 22 20  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (665)
665

>  <Formula> (665)
C18H26N2O2

>  <MolWeight> (665)
302.41124

>  <PCAT_CMPD_ID> (665)
WAY-389518

>  <CNC_ID> (665)
359373643

>  <transfer_container_id> (665)
PTN000000070

>  <COMPOUND_NUMBER> (665)
WAY-389518

>  <LOCATION_CODE> (665)
PTNCS

>  <AMOUNT_CURRENT> (665)
32.4

$$$$
WAY-389576
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.9792   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5875   -3.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9167   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6625   -1.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -3.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -0.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9875   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2792   -1.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -4.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2167   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1750    0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -5.5792    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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
  4  5  1  0  0  0  0
 16 15  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (666)
666

>  <Formula> (666)
C19H18N2O2

>  <MolWeight> (666)
306.35842

>  <PCAT_CMPD_ID> (666)
WAY-389576

>  <CNC_ID> (666)
359373698

>  <transfer_container_id> (666)
PTN000000070

>  <COMPOUND_NUMBER> (666)
WAY-389576

>  <LOCATION_CODE> (666)
PTNCS

>  <AMOUNT_CURRENT> (666)
32.3

$$$$
WAY-389580
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.3201    5.3771    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1890    6.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9522    6.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1547    7.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5666    6.5678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5849    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5355    7.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3708    6.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9437    7.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7691    6.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3213    8.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5255    8.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1727    6.1442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7213    8.9074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9015    8.9074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1368    9.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5878    5.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7213   10.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 11  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  2  0  0  0  0
 14  3  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
  9  8  1  0  0  0  0
 12  7  2  0  0  0  0
M  END
>  <Mol_ID> (667)
667

>  <Formula> (667)
C15H19NO2S

>  <MolWeight> (667)
277.38186

>  <PCAT_CMPD_ID> (667)
WAY-389580

>  <CNC_ID> (667)
359373702

>  <transfer_container_id> (667)
PTN000000070

>  <COMPOUND_NUMBER> (667)
WAY-389580

>  <LOCATION_CODE> (667)
PTNCS

>  <AMOUNT_CURRENT> (667)
32.4

$$$$
WAY-389625
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.6250   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6917    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1750   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3250    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0292    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  9  1  0  0  0  0
  3  2  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8 19  1  0  0  0  0
  9 14  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  1  0  0  0  0
 15 10  1  0  0  0  0
 16  2  2  0  0  0  0
 17  3  1  0  0  0  0
 18 21  2  0  0  0  0
 19 17  2  0  0  0  0
 20 12  2  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 12  1  0  0  0  0
 24 22  1  0  0  0  0
 18  5  1  0  0  0  0
  8  4  2  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (668)
668

>  <Formula> (668)
C18H16O6

>  <MolWeight> (668)
328.31604

>  <PCAT_CMPD_ID> (668)
WAY-389625

>  <CNC_ID> (668)
359373744

>  <transfer_container_id> (668)
PTN000000070

>  <COMPOUND_NUMBER> (668)
WAY-389625

>  <LOCATION_CODE> (668)
PTNCS

>  <AMOUNT_CURRENT> (668)
32.3

$$$$
WAY-389654
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.5500   -9.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9500   -8.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6542   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -8.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8042   -8.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4792   -6.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042   -7.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4417   -9.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875  -10.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9125   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2875  -10.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14  9  1  0  0  0  0
 15  5  2  0  0  0  0
 16  7  2  0  0  0  0
 17 10  1  0  0  0  0
 18 14  1  0  0  0  0
 19  6  2  0  0  0  0
 20  4  2  0  0  0  0
 21 18  1  0  0  0  0
 22 14  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 27  2  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
 29 25  1  0  0  0  0
 30 28  2  0  0  0  0
  3  5  1  0  0  0  0
 19 26  1  0  0  0  0
 13 17  2  0  0  0  0
 23 30  1  0  0  0  0
M  END
>  <Mol_ID> (669)
669

>  <Formula> (669)
C23H19NO5S

>  <MolWeight> (669)
421.46566

>  <PCAT_CMPD_ID> (669)
WAY-389654

>  <CNC_ID> (669)
359373772

>  <transfer_container_id> (669)
PTN000000070

>  <COMPOUND_NUMBER> (669)
WAY-389654

>  <LOCATION_CODE> (669)
PTNCS

>  <AMOUNT_CURRENT> (669)
32.1

$$$$
WAY-389983
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.2417   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8542   -2.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250   -5.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417   -2.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7750   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8417   -3.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2292   -6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3042   -8.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -6.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9167   -7.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000  -10.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 12  1  0  0  0  0
 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  4  1  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
 17  3  2  0  0  0  0
 18  5  1  0  0  0  0
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 22  8  1  0  0  0  0
 23 14  1  0  0  0  0
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 28 18  1  0  0  0  0
 29 28  2  0  0  0  0
 30 27  1  0  0  0  0
 31 29  1  0  0  0  0
  8  7  1  0  0  0  0
 10  6  2  0  0  0  0
 31 30  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (670)
670

>  <Formula> (670)
C23H19ClFN3O2S

>  <MolWeight> (670)
455.9322632

>  <PCAT_CMPD_ID> (670)
WAY-389983

>  <CNC_ID> (670)
359374090

>  <transfer_container_id> (670)
PTN000000070

>  <COMPOUND_NUMBER> (670)
WAY-389983

>  <LOCATION_CODE> (670)
PTNCS

>  <AMOUNT_CURRENT> (670)
32.8

$$$$
WAY-390001
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
   11.9875   -4.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -6.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0292   -9.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16  5  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 21 20  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
>  <Mol_ID> (671)
671

>  <Formula> (671)
C16H24N2O3

>  <MolWeight> (671)
292.37336

>  <PCAT_CMPD_ID> (671)
WAY-390001

>  <CNC_ID> (671)
359374107

>  <transfer_container_id> (671)
PTN000000070

>  <COMPOUND_NUMBER> (671)
WAY-390001

>  <LOCATION_CODE> (671)
PTNCS

>  <AMOUNT_CURRENT> (671)
32.8

$$$$
WAY-390090
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.6542   -4.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0292   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -6.8250    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  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
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 10  7  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14 20  1  0  0  0  0
 15  9  1  0  0  0  0
 16 13  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 15  2  0  0  0  0
 22 15  1  0  0  0  0
 23  7  1  0  0  0  0
 24 18  1  0  0  0  0
  5  3  1  0  0  0  0
 18 17  2  0  0  0  0
 14 19  2  0  0  0  0
M  END
>  <Mol_ID> (672)
672

>  <Formula> (672)
C19H18N2OS2

>  <MolWeight> (672)
354.48902

>  <PCAT_CMPD_ID> (672)
WAY-390090

>  <CNC_ID> (672)
359374196

>  <transfer_container_id> (672)
PTN000000070

>  <COMPOUND_NUMBER> (672)
WAY-390090

>  <LOCATION_CODE> (672)
PTNCS

>  <AMOUNT_CURRENT> (672)
32.1

$$$$
WAY-215227
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.2493    0.3646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
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 18 16  1  0  0  0  0
  6  8  1  0  0  0  0
 11 15  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (673)
673

>  <Formula> (673)
C16H15NO

>  <MolWeight> (673)
237.2964

>  <PCAT_CMPD_ID> (673)
WAY-215227

>  <CNC_ID> (673)
359380721

>  <transfer_container_id> (673)
PTN000000071

>  <COMPOUND_NUMBER> (673)
WAY-215227

>  <LOCATION_CODE> (673)
PTNCS

>  <AMOUNT_CURRENT> (673)
33

$$$$
WAY-301730
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 13 15  2  0  0  0  0
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (674)
674

>  <Formula> (674)
C14H18ClNOS

>  <MolWeight> (674)
283.81682

>  <PCAT_CMPD_ID> (674)
WAY-301730

>  <CNC_ID> (674)
359382716

>  <transfer_container_id> (674)
PTN000000071

>  <COMPOUND_NUMBER> (674)
WAY-301730

>  <LOCATION_CODE> (674)
PTNCS

>  <AMOUNT_CURRENT> (674)
33.4

$$$$
WAY-301894
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  7 14  2  0  0  0  0
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  9 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 20 22  2  0  0  0  0
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 22 24  1  0  0  0  0
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  9 10  1  0  0  0  0
 15 17  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (675)
675

>  <Formula> (675)
C19H18FN3OS

>  <MolWeight> (675)
355.4291232

>  <PCAT_CMPD_ID> (675)
WAY-301894

>  <CNC_ID> (675)
359382880

>  <transfer_container_id> (675)
PTN000000071

>  <COMPOUND_NUMBER> (675)
WAY-301894

>  <LOCATION_CODE> (675)
PTNCS

>  <AMOUNT_CURRENT> (675)
33.5

$$$$
WAY-301897
csChFnd80/10101909502D

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.1621    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 32  1  0  0  0  0
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 17 21  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (676)
676

>  <Formula> (676)
C20H17Cl2N7O3

>  <MolWeight> (676)
474.30008

>  <PCAT_CMPD_ID> (676)
WAY-301897

>  <CNC_ID> (676)
359382883

>  <transfer_container_id> (676)
PTN000000071

>  <COMPOUND_NUMBER> (676)
WAY-301897

>  <LOCATION_CODE> (676)
PTNCS

>  <AMOUNT_CURRENT> (676)
33.3

$$$$
WAY-301960
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.6724   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5759   -0.0310    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
  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  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 10  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (677)
677

>  <Formula> (677)
C10H11N3OS

>  <MolWeight> (677)
221.27884

>  <PCAT_CMPD_ID> (677)
WAY-301960

>  <CNC_ID> (677)
359382946

>  <transfer_container_id> (677)
PTN000000071

>  <COMPOUND_NUMBER> (677)
WAY-301960

>  <LOCATION_CODE> (677)
PTNCS

>  <AMOUNT_CURRENT> (677)
33.2

$$$$
WAY-303091
csChFnd80/10101909502D

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.1862    0.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1138    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310    0.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483    1.1103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7724    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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 11 18  1  0  0  0  0
 13 19  2  0  0  0  0
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 16 22  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
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 27 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 12 17  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (678)
678

>  <Formula> (678)
C24H20N2O6

>  <MolWeight> (678)
432.4254

>  <PCAT_CMPD_ID> (678)
WAY-303091

>  <CNC_ID> (678)
359384076

>  <transfer_container_id> (678)
PTN000000071

>  <COMPOUND_NUMBER> (678)
WAY-303091

>  <LOCATION_CODE> (678)
PTNCS

>  <AMOUNT_CURRENT> (678)
33.1

$$$$
WAY-303272
csChFnd80/10101909502D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 28 34  1  0  0  0  0
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 14 16  2  0  0  0  0
 29 34  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (679)
679

>  <Formula> (679)
C26H32N6O3

>  <MolWeight> (679)
476.57068

>  <PCAT_CMPD_ID> (679)
WAY-303272

>  <CNC_ID> (679)
359384256

>  <transfer_container_id> (679)
PTN000000071

>  <COMPOUND_NUMBER> (679)
WAY-303272

>  <LOCATION_CODE> (679)
PTNCS

>  <AMOUNT_CURRENT> (679)
33.1

$$$$
WAY-303311
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.2828   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3172    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1448   -0.4379    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
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  2  6  1  0  0  0  0
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  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
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 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8  9  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (680)
680

>  <Formula> (680)
C11H12N2O3

>  <MolWeight> (680)
220.22458

>  <PCAT_CMPD_ID> (680)
WAY-303311

>  <CNC_ID> (680)
359384295

>  <transfer_container_id> (680)
PTN000000071

>  <COMPOUND_NUMBER> (680)
WAY-303311

>  <LOCATION_CODE> (680)
PTNCS

>  <AMOUNT_CURRENT> (680)
33.2

$$$$
WAY-320253
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.2207   -0.2036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    0.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7276    2.0412    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
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
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 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
  5  9  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (681)
681

>  <Formula> (681)
C17H21NO2

>  <MolWeight> (681)
271.35414

>  <PCAT_CMPD_ID> (681)
WAY-320253

>  <CNC_ID> (681)
359384580

>  <transfer_container_id> (681)
PTN000000074

>  <COMPOUND_NUMBER> (681)
WAY-320253

>  <LOCATION_CODE> (681)
PTNCS

>  <AMOUNT_CURRENT> (681)
32.6

$$$$
WAY-320500
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.4000   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -3.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1167   -4.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4167   -3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
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  9 14  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
  5  3  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
>  <Mol_ID> (682)
682

>  <Formula> (682)
C13H20N2O5

>  <MolWeight> (682)
284.3083

>  <PCAT_CMPD_ID> (682)
WAY-320500

>  <CNC_ID> (682)
359384821

>  <transfer_container_id> (682)
PTN000000076

>  <COMPOUND_NUMBER> (682)
WAY-320500

>  <LOCATION_CODE> (682)
PTNCS

>  <AMOUNT_CURRENT> (682)
32.2

$$$$
WAY-382854
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.8750    0.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -1.2165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2375    1.1460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6042    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8833    0.8752    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
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  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 19  2  0  0  0  0
 14  5  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20  9  1  0  0  0  0
  6  8  2  0  0  0  0
  5  7  2  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (683)
683

>  <Formula> (683)
C15H14BrN3S

>  <MolWeight> (683)
348.26076

>  <PCAT_CMPD_ID> (683)
WAY-382854

>  <CNC_ID> (683)
359385112

>  <transfer_container_id> (683)
PTN000000071

>  <COMPOUND_NUMBER> (683)
WAY-382854

>  <LOCATION_CODE> (683)
PTNCS

>  <AMOUNT_CURRENT> (683)
33

$$$$
WAY-382864
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.6042    5.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167    7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7750    6.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8917    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 10  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24  8  1  0  0  0  0
  4  8  2  0  0  0  0
  6  7  2  0  0  0  0
 20 22  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (684)
684

>  <Formula> (684)
C16H11FN4OS2

>  <MolWeight> (684)
358.4131432

>  <PCAT_CMPD_ID> (684)
WAY-382864

>  <CNC_ID> (684)
359385122

>  <transfer_container_id> (684)
PTN000000071

>  <COMPOUND_NUMBER> (684)
WAY-382864

>  <LOCATION_CODE> (684)
PTNCS

>  <AMOUNT_CURRENT> (684)
32.9

$$$$
WAY-383412
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0695    0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0695   -0.4617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7177    0.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5892    0.6728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2409    0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
  9 10  2  0  0  0  0
 13 14  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (685)
685

>  <Formula> (685)
C16H16N2O2

>  <MolWeight> (685)
268.31044

>  <PCAT_CMPD_ID> (685)
WAY-383412

>  <CNC_ID> (685)
359385502

>  <transfer_container_id> (685)
PTN000000071

>  <COMPOUND_NUMBER> (685)
WAY-383412

>  <LOCATION_CODE> (685)
PTNCS

>  <AMOUNT_CURRENT> (685)
33

$$$$
WAY-383420
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
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 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 16  2  0  0  0  0
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 17 13  2  0  0  0  0
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 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
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  8  4  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (686)
686

>  <Formula> (686)
C15H13ClF3N3

>  <MolWeight> (686)
327.7320296

>  <PCAT_CMPD_ID> (686)
WAY-383420

>  <CNC_ID> (686)
359385510

>  <transfer_container_id> (686)
PTN000000071

>  <COMPOUND_NUMBER> (686)
WAY-383420

>  <LOCATION_CODE> (686)
PTNCS

>  <AMOUNT_CURRENT> (686)
32.7

$$$$
WAY-383012
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   12.6542   -7.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
 10  4  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  9  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  1  0  0  0  0
 18 11  1  0  0  0  0
 19  9  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
  6 11  2  0  0  0  0
 21 22  1  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (687)
687

>  <Formula> (687)
C18H17NO4

>  <MolWeight> (687)
311.33188

>  <PCAT_CMPD_ID> (687)
WAY-383012

>  <CNC_ID> (687)
359385217

>  <transfer_container_id> (687)
PTN000000071

>  <COMPOUND_NUMBER> (687)
WAY-383012

>  <LOCATION_CODE> (687)
PTNCS

>  <AMOUNT_CURRENT> (687)
33

$$$$
WAY-383107
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0250    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
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  5  7  1  0  0  0  0
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  7 12  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12 18  2  0  0  0  0
 13 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19  3  1  0  0  0  0
 20 15  1  0  0  0  0
  9  6  2  0  0  0  0
  7 13  2  0  0  0  0
M  END
>  <Mol_ID> (688)
688

>  <Formula> (688)
C15H14O4S

>  <MolWeight> (688)
290.33426

>  <PCAT_CMPD_ID> (688)
WAY-383107

>  <CNC_ID> (688)
359385298

>  <transfer_container_id> (688)
PTN000000071

>  <COMPOUND_NUMBER> (688)
WAY-383107

>  <LOCATION_CODE> (688)
PTNCS

>  <AMOUNT_CURRENT> (688)
32.8

$$$$
WAY-391856
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.4417    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  2  0  0  0  0
 11  6  1  0  0  0  0
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 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 21  1  0  0  0  0
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 24 20  2  0  0  0  0
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  8  9  2  0  0  0  0
 23 12  1  0  0  0  0
 14 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (689)
689

>  <Formula> (689)
C20H18BrN3O2

>  <MolWeight> (689)
412.27982

>  <PCAT_CMPD_ID> (689)
WAY-391856

>  <CNC_ID> (689)
359387163

>  <transfer_container_id> (689)
PTN000000071

>  <COMPOUND_NUMBER> (689)
WAY-391856

>  <LOCATION_CODE> (689)
PTNCS

>  <AMOUNT_CURRENT> (689)
32.6

$$$$
CL-404105
csChFnd80/10101909502D

 23 27  0  0  0  0  0  0  0  0999 V2000
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 10 13  2  0  0  0  0
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 19 21  2  0  0  0  0
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 21 23  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
 11 13  1  0  0  0  0
 17 19  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (690)
690

>  <Formula> (690)
C18H10N2O2S

>  <MolWeight> (690)
318.3492

>  <PCAT_CMPD_ID> (690)
CL-404105

>  <CNC_ID> (690)
359394087

>  <transfer_container_id> (690)
PTN000000072

>  <COMPOUND_NUMBER> (690)
CL-404105

>  <LOCATION_CODE> (690)
PTNCS

>  <AMOUNT_CURRENT> (690)
33.6

$$$$
WAY-115741
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.2711    1.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2134    2.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5 14  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
  5 15  1  0  0  0  0
 10  7  2  0  0  0  0
M  END
>  <Mol_ID> (691)
691

>  <Formula> (691)
C12H15NO3

>  <MolWeight> (691)
221.2524

>  <PCAT_CMPD_ID> (691)
WAY-115741

>  <CNC_ID> (691)
359394204

>  <transfer_container_id> (691)
PTN000000072

>  <COMPOUND_NUMBER> (691)
WAY-115741

>  <LOCATION_CODE> (691)
PTNCS

>  <AMOUNT_CURRENT> (691)
33.6

$$$$
WAY-217423
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    7.6351    7.1387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  4  2  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10 15  2  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17  6  1  0  0  0  0
  6  5  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <Mol_ID> (692)
692

>  <Formula> (692)
C12H12ClN3O

>  <MolWeight> (692)
249.69618

>  <PCAT_CMPD_ID> (692)
WAY-217423

>  <CNC_ID> (692)
359394305

>  <transfer_container_id> (692)
PTN000000072

>  <COMPOUND_NUMBER> (692)
WAY-217423

>  <LOCATION_CODE> (692)
PTNCS

>  <AMOUNT_CURRENT> (692)
33.4

$$$$
WAY-303669
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  7  1  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 18  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (693)
693

>  <Formula> (693)
C13H14N2O3

>  <MolWeight> (693)
246.26186

>  <PCAT_CMPD_ID> (693)
WAY-303669

>  <CNC_ID> (693)
359394849

>  <transfer_container_id> (693)
PTN000000072

>  <COMPOUND_NUMBER> (693)
WAY-303669

>  <LOCATION_CODE> (693)
PTNCS

>  <AMOUNT_CURRENT> (693)
33.1

$$$$
WAY-303774
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.5924    4.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8298    4.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  2  0  0  0  0
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 20 15  1  0  0  0  0
 21 16  2  0  0  0  0
 22 21  1  0  0  0  0
  7  6  2  0  0  0  0
 19 18  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (694)
694

>  <Formula> (694)
C18H15NO2S

>  <MolWeight> (694)
309.3822

>  <PCAT_CMPD_ID> (694)
WAY-303774

>  <CNC_ID> (694)
359394954

>  <transfer_container_id> (694)
PTN000000072

>  <COMPOUND_NUMBER> (694)
WAY-303774

>  <LOCATION_CODE> (694)
PTNCS

>  <AMOUNT_CURRENT> (694)
33.4

$$$$
WAY-304101
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.1276    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
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 13 15  1  0  0  0  0
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 17 18  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (695)
695

>  <Formula> (695)
C14H16N2O2

>  <MolWeight> (695)
244.28904

>  <PCAT_CMPD_ID> (695)
WAY-304101

>  <CNC_ID> (695)
359395279

>  <transfer_container_id> (695)
PTN000000072

>  <COMPOUND_NUMBER> (695)
WAY-304101

>  <LOCATION_CODE> (695)
PTNCS

>  <AMOUNT_CURRENT> (695)
33.7

$$$$
WAY-304340
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (696)
696

>  <Formula> (696)
C15H14N4O3S

>  <MolWeight> (696)
330.36166

>  <PCAT_CMPD_ID> (696)
WAY-304340

>  <CNC_ID> (696)
359395517

>  <transfer_container_id> (696)
PTN000000072

>  <COMPOUND_NUMBER> (696)
WAY-304340

>  <LOCATION_CODE> (696)
PTNCS

>  <AMOUNT_CURRENT> (696)
33.7

$$$$
WAY-304344
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  9 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
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  8 10  2  0  0  0  0
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M  END
>  <Mol_ID> (697)
697

>  <Formula> (697)
C14H12N2O3

>  <MolWeight> (697)
256.25668

>  <PCAT_CMPD_ID> (697)
WAY-304344

>  <CNC_ID> (697)
359395521

>  <transfer_container_id> (697)
PTN000000072

>  <COMPOUND_NUMBER> (697)
WAY-304344

>  <LOCATION_CODE> (697)
PTNCS

>  <AMOUNT_CURRENT> (697)
33.7

$$$$
WAY-304533
csChFnd80/10101909502D

 25 29  0  0  0  0  0  0  0  0999 V2000
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 11 18  1  0  0  0  0
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 16 20  1  0  0  0  0
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 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 10 15  2  0  0  0  0
 13 19  1  0  0  0  0
 17 20  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (698)
698

>  <Formula> (698)
C23H19NO

>  <MolWeight> (698)
325.40306

>  <PCAT_CMPD_ID> (698)
WAY-304533

>  <CNC_ID> (698)
359395713

>  <transfer_container_id> (698)
PTN000000072

>  <COMPOUND_NUMBER> (698)
WAY-304533

>  <LOCATION_CODE> (698)
PTNCS

>  <AMOUNT_CURRENT> (698)
33.5

$$$$
WAY-304777-A
csChFnd80/10101909502D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.5276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (699)
699

>  <Formula> (699)
C9H17NO

>  <MolWeight> (699)
155.23738

>  <PCAT_CMPD_ID> (699)
WAY-304777-A

>  <CNC_ID> (699)
359395957

>  <transfer_container_id> (699)
PTN000000072

>  <COMPOUND_NUMBER> (699)
WAY-304777-A

>  <LOCATION_CODE> (699)
PTNCS

>  <AMOUNT_CURRENT> (699)
33.5

$$$$
WAY-304778-A
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0011    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0011   -0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2494    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2494    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  7  1  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (700)
700

>  <Formula> (700)
C9H18N2O

>  <MolWeight> (700)
170.25202

>  <PCAT_CMPD_ID> (700)
WAY-304778-A

>  <CNC_ID> (700)
359395958

>  <transfer_container_id> (700)
PTN000000072

>  <COMPOUND_NUMBER> (700)
WAY-304778-A

>  <LOCATION_CODE> (700)
PTNCS

>  <AMOUNT_CURRENT> (700)
33.7

$$$$
WAY-304793
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C15H14N2O

>  <MolWeight> (701)
238.28446

>  <PCAT_CMPD_ID> (701)
WAY-304793

>  <CNC_ID> (701)
359395972

>  <transfer_container_id> (701)
PTN000000072

>  <COMPOUND_NUMBER> (701)
WAY-304793

>  <LOCATION_CODE> (701)
PTNCS

>  <AMOUNT_CURRENT> (701)
33.6

$$$$
WAY-305093
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (702)
702

>  <Formula> (702)
C12H17NO2S

>  <MolWeight> (702)
239.33388

>  <PCAT_CMPD_ID> (702)
WAY-305093

>  <CNC_ID> (702)
359396270

>  <transfer_container_id> (702)
PTN000000072

>  <COMPOUND_NUMBER> (702)
WAY-305093

>  <LOCATION_CODE> (702)
PTNCS

>  <AMOUNT_CURRENT> (702)
33.2

$$$$
WAY-305190
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (703)
703

>  <Formula> (703)
C9H9N3O2S

>  <MolWeight> (703)
223.25166

>  <PCAT_CMPD_ID> (703)
WAY-305190

>  <CNC_ID> (703)
359395553

>  <transfer_container_id> (703)
PTN000000072

>  <COMPOUND_NUMBER> (703)
WAY-305190

>  <LOCATION_CODE> (703)
PTNCS

>  <AMOUNT_CURRENT> (703)
33.8

$$$$
WAY-321683
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.2125   -1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.8042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0708   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2500    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
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  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19 13  2  0  0  0  0
 20 19  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 17  2  0  0  0  0
 24 18  2  0  0  0  0
  6  3  1  0  0  0  0
 20 14  2  0  0  0  0
 16 22  2  0  0  0  0
 21 15  2  0  0  0  0
M  END
>  <Mol_ID> (704)
704

>  <Formula> (704)
C20H18N4

>  <MolWeight> (704)
314.38372

>  <PCAT_CMPD_ID> (704)
WAY-321683

>  <CNC_ID> (704)
359397800

>  <transfer_container_id> (704)
PTN000000073

>  <COMPOUND_NUMBER> (704)
WAY-321683

>  <LOCATION_CODE> (704)
PTNCS

>  <AMOUNT_CURRENT> (704)
32.7

$$$$
WAY-322082
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.2183   -0.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1011    0.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2230   -0.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5  9  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (705)
705

>  <Formula> (705)
C13H15NO2

>  <MolWeight> (705)
217.2637

>  <PCAT_CMPD_ID> (705)
WAY-322082

>  <CNC_ID> (705)
359398186

>  <transfer_container_id> (705)
PTN000000076

>  <COMPOUND_NUMBER> (705)
WAY-322082

>  <LOCATION_CODE> (705)
PTNCS

>  <AMOUNT_CURRENT> (705)
32.2

$$$$
WAY-382949
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.2542   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 13 12  2  0  0  0  0
  5  4  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (706)
706

>  <Formula> (706)
C13H9Cl2N3OS

>  <MolWeight> (706)
326.20106

>  <PCAT_CMPD_ID> (706)
WAY-382949

>  <CNC_ID> (706)
359399371

>  <transfer_container_id> (706)
PTN000000072

>  <COMPOUND_NUMBER> (706)
WAY-382949

>  <LOCATION_CODE> (706)
PTNCS

>  <AMOUNT_CURRENT> (706)
32.8

$$$$
WAY-383359
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.0917   -4.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -5.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917   -9.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6000   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7625   -8.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  0  0  0  0
  6 18  1  0  0  0  0
  7  1  2  0  0  0  0
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 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  2  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 20  2  0  0  0  0
 17  5  2  0  0  0  0
 18 10  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 19  2  0  0  0  0
 22  5  1  0  0  0  0
 23 19  1  0  0  0  0
 24 12  1  0  0  0  0
 25 14  1  0  0  0  0
 17 21  1  0  0  0  0
  8  3  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (707)
707

>  <Formula> (707)
C17H14ClNO6

>  <MolWeight> (707)
363.74916

>  <PCAT_CMPD_ID> (707)
WAY-383359

>  <CNC_ID> (707)
359399440

>  <transfer_container_id> (707)
PTN000000072

>  <COMPOUND_NUMBER> (707)
WAY-383359

>  <LOCATION_CODE> (707)
PTNCS

>  <AMOUNT_CURRENT> (707)
32.7

$$$$
WAY-383373
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2542   -2.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -1.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  8  3  1  0  0  0  0
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 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  1  0  0  0  0
 20  7  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24  9  1  0  0  0  0
 25 19  1  0  0  0  0
 26 23  1  0  0  0  0
 27 28  1  0  0  0  0
 28 24  2  0  0  0  0
 29 25  1  0  0  0  0
  7  3  1  0  0  0  0
 27 20  2  0  0  0  0
  6 11  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C21H18N2O4S2

>  <MolWeight> (708)
426.50862

>  <PCAT_CMPD_ID> (708)
WAY-383373

>  <CNC_ID> (708)
359399453

>  <transfer_container_id> (708)
PTN000000072

>  <COMPOUND_NUMBER> (708)
WAY-383373

>  <LOCATION_CODE> (708)
PTNCS

>  <AMOUNT_CURRENT> (708)
32.9

$$$$
WAY-383455-A
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
   13.5667   -6.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5667   -9.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1000   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3167   -6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5917   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5917   -6.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9667   -7.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0375   -6.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0917   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2417   -7.7542    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  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10 14  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 17 11  1  0  0  0  0
  4  3  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (709)
709

>  <Formula> (709)
C13H15N3O2

>  <MolWeight> (709)
245.2771

>  <PCAT_CMPD_ID> (709)
WAY-383455-A

>  <CNC_ID> (709)
359399518

>  <transfer_container_id> (709)
PTN000000072

>  <COMPOUND_NUMBER> (709)
WAY-383455-A

>  <LOCATION_CODE> (709)
PTNCS

>  <AMOUNT_CURRENT> (709)
32.7

$$$$
WAY-383604
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.1000   -6.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7583   -6.7417    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  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  1  0  0  0  0
 14 18  1  0  0  0  0
 15  5  1  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21  7  2  0  0  0  0
 22 15  1  0  0  0  0
 23  6  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 22 13  1  0  0  0  0
  6  7  1  0  0  0  0
 25 24  2  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (710)
710

>  <Formula> (710)
C21H17NO3

>  <MolWeight> (710)
331.36458

>  <PCAT_CMPD_ID> (710)
WAY-383604

>  <CNC_ID> (710)
359399674

>  <transfer_container_id> (710)
PTN000000072

>  <COMPOUND_NUMBER> (710)
WAY-383604

>  <LOCATION_CODE> (710)
PTNCS

>  <AMOUNT_CURRENT> (710)
32.5

$$$$
WAY-383627
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.5750   -3.6125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8042   -2.2917    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  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15 17  1  0  0  0  0
 16 12  1  0  0  0  0
 17 19  2  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 13  2  0  0  0  0
 22 13  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 16 14  2  0  0  0  0
 25 24  2  0  0  0  0
  9 15  2  0  0  0  0
M  END
>  <Mol_ID> (711)
711

>  <Formula> (711)
C18H15FN2O2S2

>  <MolWeight> (711)
374.4523032

>  <PCAT_CMPD_ID> (711)
WAY-383627

>  <CNC_ID> (711)
359399697

>  <transfer_container_id> (711)
PTN000000072

>  <COMPOUND_NUMBER> (711)
WAY-383627

>  <LOCATION_CODE> (711)
PTNCS

>  <AMOUNT_CURRENT> (711)
33

$$$$
WAY-383685
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.8167    3.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292    5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9667    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9875    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    2.5250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4000    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8 18  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  2  0  0  0  0
 16 14  1  0  0  0  0
 17  1  1  0  0  0  0
 18 24  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 23  2  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24 17  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
  5  3  1  0  0  0  0
 16 13  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (712)
712

>  <Formula> (712)
C19H18N2O4S2

>  <MolWeight> (712)
402.48722

>  <PCAT_CMPD_ID> (712)
WAY-383685

>  <CNC_ID> (712)
359399745

>  <transfer_container_id> (712)
PTN000000072

>  <COMPOUND_NUMBER> (712)
WAY-383685

>  <LOCATION_CODE> (712)
PTNCS

>  <AMOUNT_CURRENT> (712)
32.7

$$$$
WAY-383693
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   13.8417  -10.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16  3  1  0  0  0  0
 17 14  1  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 17 15  1  0  0  0  0
 10  7  2  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
C16H19N3OS

>  <MolWeight> (713)
301.40656

>  <PCAT_CMPD_ID> (713)
WAY-383693

>  <CNC_ID> (713)
359399753

>  <transfer_container_id> (713)
PTN000000072

>  <COMPOUND_NUMBER> (713)
WAY-383693

>  <LOCATION_CODE> (713)
PTNCS

>  <AMOUNT_CURRENT> (713)
32.7

$$$$
WAY-383703
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.4332    0.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0607   -0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0228    1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2366    1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0366    0.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3048    0.1201    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  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (714)
714

>  <Formula> (714)
C13H13NO3S

>  <MolWeight> (714)
263.31222

>  <PCAT_CMPD_ID> (714)
WAY-383703

>  <CNC_ID> (714)
359399763

>  <transfer_container_id> (714)
PTN000000072

>  <COMPOUND_NUMBER> (714)
WAY-383703

>  <LOCATION_CODE> (714)
PTNCS

>  <AMOUNT_CURRENT> (714)
32.1

$$$$
WAY-383712
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.5625   -3.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4 15  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10 13  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16  2  1  0  0  0  0
 17 13  1  0  0  0  0
 18 10  2  0  0  0  0
 19  3  1  0  0  0  0
 20 10  1  0  0  0  0
 21  9  2  0  0  0  0
 22 11  2  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
  3  7  1  0  0  0  0
 14 17  2  0  0  0  0
 11  9  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (715)
715

>  <Formula> (715)
C18H15N3O2S2

>  <MolWeight> (715)
369.4606

>  <PCAT_CMPD_ID> (715)
WAY-383712

>  <CNC_ID> (715)
359399768

>  <transfer_container_id> (715)
PTN000000072

>  <COMPOUND_NUMBER> (715)
WAY-383712

>  <LOCATION_CODE> (715)
PTNCS

>  <AMOUNT_CURRENT> (715)
32.3

$$$$
WAY-384119
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.2667    6.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750    4.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1917    5.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9417   11.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7042   10.8792    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  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17 22  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 16  1  0  0  0  0
 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26 18  2  0  0  0  0
 27 23  1  0  0  0  0
 28 25  2  0  0  0  0
  4  3  1  0  0  0  0
 15 14  2  0  0  0  0
 28 26  1  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (716)
716

>  <Formula> (716)
C22H19N3O2S

>  <MolWeight> (716)
389.47016

>  <PCAT_CMPD_ID> (716)
WAY-384119

>  <CNC_ID> (716)
359400124

>  <transfer_container_id> (716)
PTN000000072

>  <COMPOUND_NUMBER> (716)
WAY-384119

>  <LOCATION_CODE> (716)
PTNCS

>  <AMOUNT_CURRENT> (716)
32.6

$$$$
WAY-384314
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.7792   -7.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5042   -6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8417   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11 18  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14 22  1  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 19  2  0  0  0  0
 19  7  1  0  0  0  0
 20 10  2  0  0  0  0
 21  9  2  0  0  0  0
 22 24  2  0  0  0  0
 23  9  1  0  0  0  0
 24 19  1  0  0  0  0
  5  4  2  0  0  0  0
  8 20  1  0  0  0  0
 11 14  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (717)
717

>  <Formula> (717)
C17H11NO6

>  <MolWeight> (717)
325.27234

>  <PCAT_CMPD_ID> (717)
WAY-384314

>  <CNC_ID> (717)
359400301

>  <transfer_container_id> (717)
PTN000000072

>  <COMPOUND_NUMBER> (717)
WAY-384314

>  <LOCATION_CODE> (717)
PTNCS

>  <AMOUNT_CURRENT> (717)
32.5

$$$$
WAY-384810
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   -0.2083   -3.7667    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  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9 11  1  0  0  0  0
 10  5  1  0  0  0  0
 11 15  2  0  0  0  0
 12  5  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  2  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 13  1  0  0  0  0
 22  7  2  0  0  0  0
 23 13  2  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28 26  2  0  0  0  0
  8  3  2  0  0  0  0
 11 16  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (718)
718

>  <Formula> (718)
C20H19N3O4S

>  <MolWeight> (718)
397.44756

>  <PCAT_CMPD_ID> (718)
WAY-384810

>  <CNC_ID> (718)
359400773

>  <transfer_container_id> (718)
PTN000000072

>  <COMPOUND_NUMBER> (718)
WAY-384810

>  <LOCATION_CODE> (718)
PTNCS

>  <AMOUNT_CURRENT> (718)
32.7

$$$$
WAY-384815
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.3792   -4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -3.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  1  0  0  0  0
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 18 15  2  0  0  0  0
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 20  9  1  0  0  0  0
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 11 13  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (719)
719

>  <Formula> (719)
C17H17N3OS

>  <MolWeight> (719)
311.40138

>  <PCAT_CMPD_ID> (719)
WAY-384815

>  <CNC_ID> (719)
359400778

>  <transfer_container_id> (719)
PTN000000072

>  <COMPOUND_NUMBER> (719)
WAY-384815

>  <LOCATION_CODE> (719)
PTNCS

>  <AMOUNT_CURRENT> (719)
32.5

$$$$
WAY-385003
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.3042   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  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  8  1  0  0  0  0
 15  2  1  0  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
  3  6  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (720)
720

>  <Formula> (720)
C18H21NO4

>  <MolWeight> (720)
315.36364

>  <PCAT_CMPD_ID> (720)
WAY-385003

>  <CNC_ID> (720)
359400932

>  <transfer_container_id> (720)
PTN000000072

>  <COMPOUND_NUMBER> (720)
WAY-385003

>  <LOCATION_CODE> (720)
PTNCS

>  <AMOUNT_CURRENT> (720)
32.1

$$$$
GI-568740
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.4241    0.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (721)
721

>  <Formula> (721)
C15H12O3

>  <MolWeight> (721)
240.25398

>  <PCAT_CMPD_ID> (721)
GI-568740

>  <CNC_ID> (721)
359407771

>  <transfer_container_id> (721)
PTN000000076

>  <COMPOUND_NUMBER> (721)
GI-568740

>  <LOCATION_CODE> (721)
PTNCS

>  <AMOUNT_CURRENT> (721)
32.5

$$$$
WAY-216710
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.2964   -0.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  1  1  0  0  0  0
 14  4  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  1  0  0  0  0
 21 15  1  0  0  0  0
  7  9  1  0  0  0  0
 16 15  2  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <Mol_ID> (722)
722

>  <Formula> (722)
C14H16N4O3

>  <MolWeight> (722)
288.30184

>  <PCAT_CMPD_ID> (722)
WAY-216710

>  <CNC_ID> (722)
359407921

>  <transfer_container_id> (722)
PTN000000073

>  <COMPOUND_NUMBER> (722)
WAY-216710

>  <LOCATION_CODE> (722)
PTNCS

>  <AMOUNT_CURRENT> (722)
33.3

$$$$
WAY-222418
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
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 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  2  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
  5  2  1  0  0  0  0
 12 13  1  0  0  0  0
 19 24  2  0  0  0  0
M  END
>  <Mol_ID> (723)
723

>  <Formula> (723)
C20H24N2O2

>  <MolWeight> (723)
324.41676

>  <PCAT_CMPD_ID> (723)
WAY-222418

>  <CNC_ID> (723)
359407952

>  <transfer_container_id> (723)
PTN000000073

>  <COMPOUND_NUMBER> (723)
WAY-222418

>  <LOCATION_CODE> (723)
PTNCS

>  <AMOUNT_CURRENT> (723)
33.7

$$$$
WAY-305993
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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 13 15  2  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (724)
724

>  <Formula> (724)
C14H11N3O2S

>  <MolWeight> (724)
285.32104

>  <PCAT_CMPD_ID> (724)
WAY-305993

>  <CNC_ID> (724)
359408494

>  <transfer_container_id> (724)
PTN000000073

>  <COMPOUND_NUMBER> (724)
WAY-305993

>  <LOCATION_CODE> (724)
PTNCS

>  <AMOUNT_CURRENT> (724)
33.8

$$$$
WAY-306470
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 18 21  1  0  0  0  0
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 10 13  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (725)
725

>  <Formula> (725)
C19H17NO3S

>  <MolWeight> (725)
339.40818

>  <PCAT_CMPD_ID> (725)
WAY-306470

>  <CNC_ID> (725)
359408969

>  <transfer_container_id> (725)
PTN000000073

>  <COMPOUND_NUMBER> (725)
WAY-306470

>  <LOCATION_CODE> (725)
PTNCS

>  <AMOUNT_CURRENT> (725)
33.1

$$$$
WAY-306887
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.6552    0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (726)
726

>  <Formula> (726)
C10H14N2O2S

>  <MolWeight> (726)
226.29536

>  <PCAT_CMPD_ID> (726)
WAY-306887

>  <CNC_ID> (726)
359409385

>  <transfer_container_id> (726)
PTN000000073

>  <COMPOUND_NUMBER> (726)
WAY-306887

>  <LOCATION_CODE> (726)
PTNCS

>  <AMOUNT_CURRENT> (726)
33.2

$$$$
WAY-306896-A
csChFnd80/10101909502D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.3645   -0.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  5 10  2  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C6H6N4

>  <MolWeight> (727)
134.13864

>  <PCAT_CMPD_ID> (727)
WAY-306896-A

>  <CNC_ID> (727)
359409394

>  <transfer_container_id> (727)
PTN000000073

>  <COMPOUND_NUMBER> (727)
WAY-306896-A

>  <LOCATION_CODE> (727)
PTNCS

>  <AMOUNT_CURRENT> (727)
33.9

$$$$
WAY-306993
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
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  8  2  2  0  0  0  0
  9  1  2  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
 14  4  2  0  0  0  0
 15  7  2  0  0  0  0
 16  3  1  0  0  0  0
 17  5  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
  8  6  1  0  0  0  0
  4  5  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (728)
728

>  <Formula> (728)
C13H14N4O2

>  <MolWeight> (728)
258.27586

>  <PCAT_CMPD_ID> (728)
WAY-306993

>  <CNC_ID> (728)
359409491

>  <transfer_container_id> (728)
PTN000000073

>  <COMPOUND_NUMBER> (728)
WAY-306993

>  <LOCATION_CODE> (728)
PTNCS

>  <AMOUNT_CURRENT> (728)
33.3

$$$$
WAY-307008
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 15 20  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (729)
729

>  <Formula> (729)
C17H16ClNO5S2

>  <MolWeight> (729)
413.89564

>  <PCAT_CMPD_ID> (729)
WAY-307008

>  <CNC_ID> (729)
359409506

>  <transfer_container_id> (729)
PTN000000073

>  <COMPOUND_NUMBER> (729)
WAY-307008

>  <LOCATION_CODE> (729)
PTNCS

>  <AMOUNT_CURRENT> (729)
33.9

$$$$
WAY-307410
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (730)
730

>  <Formula> (730)
C16H19NO

>  <MolWeight> (730)
241.32816

>  <PCAT_CMPD_ID> (730)
WAY-307410

>  <CNC_ID> (730)
359409909

>  <transfer_container_id> (730)
PTN000000073

>  <COMPOUND_NUMBER> (730)
WAY-307410

>  <LOCATION_CODE> (730)
PTNCS

>  <AMOUNT_CURRENT> (730)
33.9

$$$$
WAY-383910
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  6 10  2  0  0  0  0
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 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  2  0  0  0  0
 15  4  2  0  0  0  0
 16  8  2  0  0  0  0
 17  7  2  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 23  1  0  0  0  0
 21  7  1  0  0  0  0
 22 18  1  0  0  0  0
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 11 16  1  0  0  0  0
 14  6  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (731)
731

>  <Formula> (731)
C19H16ClN3O3

>  <MolWeight> (731)
369.80164

>  <PCAT_CMPD_ID> (731)
WAY-383910

>  <CNC_ID> (731)
359412433

>  <transfer_container_id> (731)
PTN000000073

>  <COMPOUND_NUMBER> (731)
WAY-383910

>  <LOCATION_CODE> (731)
PTNCS

>  <AMOUNT_CURRENT> (731)
32.1

$$$$
WAY-386554
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.5167    0.0958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4 12  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  2  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  9  1  0  0  0  0
  3  4  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (732)
732

>  <Formula> (732)
C7H6Cl2N2O2S

>  <MolWeight> (732)
253.10574

>  <PCAT_CMPD_ID> (732)
WAY-386554

>  <CNC_ID> (732)
359413297

>  <transfer_container_id> (732)
PTN000000073

>  <COMPOUND_NUMBER> (732)
WAY-386554

>  <LOCATION_CODE> (732)
PTNCS

>  <AMOUNT_CURRENT> (732)
32.9

$$$$
WAY-386795
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  7 12  1  0  0  0  0
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 10 15  2  0  0  0  0
 11  3  2  0  0  0  0
 12 19  2  0  0  0  0
 13 18  2  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  2  0  0  0  0
 18 22  1  0  0  0  0
 19 26  1  0  0  0  0
 20 25  2  0  0  0  0
 21  7  1  0  0  0  0
 22 14  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 27 10  1  0  0  0  0
 28  8  2  0  0  0  0
 29  8  1  0  0  0  0
 30 27  1  0  0  0  0
 31 28  1  0  0  0  0
 32 29  2  0  0  0  0
 33 32  1  0  0  0  0
  5  4  1  0  0  0  0
 33 31  2  0  0  0  0
 13 10  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (733)
733

>  <Formula> (733)
C25H20N2O6

>  <MolWeight> (733)
444.4361

>  <PCAT_CMPD_ID> (733)
WAY-386795

>  <CNC_ID> (733)
359413521

>  <transfer_container_id> (733)
PTN000000073

>  <COMPOUND_NUMBER> (733)
WAY-386795

>  <LOCATION_CODE> (733)
PTNCS

>  <AMOUNT_CURRENT> (733)
32.8

$$$$
CL-420147
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.4453    0.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5  7  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (734)
734

>  <Formula> (734)
C10H14N4O

>  <MolWeight> (734)
206.24436

>  <PCAT_CMPD_ID> (734)
CL-420147

>  <CNC_ID> (734)
359420013

>  <transfer_container_id> (734)
PTN000000074

>  <COMPOUND_NUMBER> (734)
CL-420147

>  <LOCATION_CODE> (734)
PTNCS

>  <AMOUNT_CURRENT> (734)
33.2

$$$$
WAY-340782
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  6  2  0  0  0  0
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 17 18  1  0  0  0  0
  8 10  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (735)
735

>  <Formula> (735)
C15H15NO2

>  <MolWeight> (735)
241.2851

>  <PCAT_CMPD_ID> (735)
WAY-340782

>  <CNC_ID> (735)
359425786

>  <transfer_container_id> (735)
PTN000000074

>  <COMPOUND_NUMBER> (735)
WAY-340782

>  <LOCATION_CODE> (735)
PTNCS

>  <AMOUNT_CURRENT> (735)
32.7

$$$$
WAY-340952
csChFnd80/10101909502D

 34 37  0  0  0  0  0  0  0  0999 V2000
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   10.0292   -4.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5417   -3.5042    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  6  1  0  0  0  0
  5  4  2  0  0  0  0
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  7  1  1  0  0  0  0
  8  4  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 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14  3  2  0  0  0  0
 15  9  2  0  0  0  0
 16  7  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  1  0  0  0  0
 19 12  2  0  0  0  0
 20 13  2  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23 13  1  0  0  0  0
 24 10  2  0  0  0  0
 25 12  1  0  0  0  0
 26 18  1  0  0  0  0
 27 19  1  0  0  0  0
 28 18  2  0  0  0  0
 29 19  1  0  0  0  0
 30 21  1  0  0  0  0
 31 24  1  0  0  0  0
 32 25  2  0  0  0  0
 33 32  1  0  0  0  0
 34 31  2  0  0  0  0
  5  2  1  0  0  0  0
 29 33  2  0  0  0  0
 34 28  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C28H24N2O4

>  <MolWeight> (736)
452.50116

>  <PCAT_CMPD_ID> (736)
WAY-340952

>  <CNC_ID> (736)
359425953

>  <transfer_container_id> (736)
PTN000000074

>  <COMPOUND_NUMBER> (736)
WAY-340952

>  <LOCATION_CODE> (736)
PTNCS

>  <AMOUNT_CURRENT> (736)
32.6

$$$$
WAY-351670
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.3792   -4.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -8.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1292   -6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9667   -5.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0292   -8.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3250    0.7250    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 13  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  2  0  0  0  0
 11  1  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  2  0  0  0  0
 20  5  1  0  0  0  0
 21  9  2  0  0  0  0
 22 13  1  0  0  0  0
 23 17  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 10  7  1  0  0  0  0
 19 17  1  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C18H16N2O5

>  <MolWeight> (737)
340.33004

>  <PCAT_CMPD_ID> (737)
WAY-351670

>  <CNC_ID> (737)
359439359

>  <transfer_container_id> (737)
PTN000000075

>  <COMPOUND_NUMBER> (737)
WAY-351670

>  <LOCATION_CODE> (737)
PTNCS

>  <AMOUNT_CURRENT> (737)
32.5

$$$$
WAY-351791
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.1500   -4.6625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5708   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667   -5.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000   -4.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625   -5.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2833   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1917   -5.0417    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  2  0  0  0  0
  5 10  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9 16  2  0  0  0  0
 10 15  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  3  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  1  0  0  0  0
 18  5  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 14 10  2  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C14H13ClN2O4S

>  <MolWeight> (738)
340.78202

>  <PCAT_CMPD_ID> (738)
WAY-351791

>  <CNC_ID> (738)
359439478

>  <transfer_container_id> (738)
PTN000000075

>  <COMPOUND_NUMBER> (738)
WAY-351791

>  <LOCATION_CODE> (738)
PTNCS

>  <AMOUNT_CURRENT> (738)
32.8

$$$$
WAY-352075
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.9667   -5.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -6.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  6  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  1  0  0  0  0
 11  8  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16  4  1  0  0  0  0
 17  2  1  0  0  0  0
 18  8  1  0  0  0  0
 19  3  1  0  0  0  0
 20  5  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  2  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
  5  3  2  0  0  0  0
 10 13  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C19H22ClNO3

>  <MolWeight> (739)
347.83588

>  <PCAT_CMPD_ID> (739)
WAY-352075

>  <CNC_ID> (739)
359439759

>  <transfer_container_id> (739)
PTN000000075

>  <COMPOUND_NUMBER> (739)
WAY-352075

>  <LOCATION_CODE> (739)
PTNCS

>  <AMOUNT_CURRENT> (739)
32.5

$$$$
WAY-353722
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4333    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    3.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    3.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 20  2  0  0  0  0
 15  5  2  0  0  0  0
 16  4  2  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
  5  4  1  0  0  0  0
 23 22  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (740)
740

>  <Formula> (740)
C17H14N2O4

>  <MolWeight> (740)
310.30406

>  <PCAT_CMPD_ID> (740)
WAY-353722

>  <CNC_ID> (740)
359441351

>  <transfer_container_id> (740)
PTN000000075

>  <COMPOUND_NUMBER> (740)
WAY-353722

>  <LOCATION_CODE> (740)
PTNCS

>  <AMOUNT_CURRENT> (740)
32.5

$$$$
WAY-354056
csChFnd80/10101909502D

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.7000   -7.2125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3167   -8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2042  -10.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542  -10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6667   -8.8125    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 10  1  0  0  0  0
  5  2  1  0  0  0  0
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  7  3  2  0  0  0  0
  8  5  1  0  0  0  0
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 10 16  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  3  1  0  0  0  0
 14  7  1  0  0  0  0
 15  5  2  0  0  0  0
 16  9  1  0  0  0  0
 17  4  2  0  0  0  0
 18  6  1  0  0  0  0
 19 22  1  0  0  0  0
 20  7  1  0  0  0  0
 21 16  2  0  0  0  0
 22 13  2  0  0  0  0
 23 27  1  0  0  0  0
 24 19  1  0  0  0  0
 25 18  2  0  0  0  0
 26 18  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29  8  1  0  0  0  0
 30  8  1  0  0  0  0
 31 23  1  0  0  0  0
 32 31  1  0  0  0  0
 33 30  1  0  0  0  0
 34 29  1  0  0  0  0
 23 28  2  0  0  0  0
 21 15  1  0  0  0  0
 33 34  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (741)
741

>  <Formula> (741)
C24H23F2N3O4S

>  <MolWeight> (741)
487.5189264

>  <PCAT_CMPD_ID> (741)
WAY-354056

>  <CNC_ID> (741)
359441684

>  <transfer_container_id> (741)
PTN000000075

>  <COMPOUND_NUMBER> (741)
WAY-354056

>  <LOCATION_CODE> (741)
PTNCS

>  <AMOUNT_CURRENT> (741)
32.4

$$$$
WAY-354465
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.1417   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167    0.2583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3667   -1.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -0.3167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -0.5292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5292    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1417   -0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9917   -1.5167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1417   -1.4375    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  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8 16  2  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17  3  1  0  0  0  0
 12 11  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (742)
742

>  <Formula> (742)
C11H12F2N2OS

>  <MolWeight> (742)
258.2875864

>  <PCAT_CMPD_ID> (742)
WAY-354465

>  <CNC_ID> (742)
359441580

>  <transfer_container_id> (742)
PTN000000075

>  <COMPOUND_NUMBER> (742)
WAY-354465

>  <LOCATION_CODE> (742)
PTNCS

>  <AMOUNT_CURRENT> (742)
32.6

$$$$
WAY-354474
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.5667   -3.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2042   -4.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1625   -2.4875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2875   -4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  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  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14 19  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 13  1  0  0  0  0
 18 10  2  0  0  0  0
 19 16  2  0  0  0  0
 20 10  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  3  5  1  0  0  0  0
 17 15  2  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (743)
743

>  <Formula> (743)
C18H17NO4S2

>  <MolWeight> (743)
375.46188

>  <PCAT_CMPD_ID> (743)
WAY-354474

>  <CNC_ID> (743)
359442044

>  <transfer_container_id> (743)
PTN000000075

>  <COMPOUND_NUMBER> (743)
WAY-354474

>  <LOCATION_CODE> (743)
PTNCS

>  <AMOUNT_CURRENT> (743)
32.3

$$$$
WAY-354586
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.7292   -7.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5542   -7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6667   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5 10  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10 16  2  0  0  0  0
 11  7  1  0  0  0  0
 12  2  2  0  0  0  0
 13  5  2  0  0  0  0
 14  7  2  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22  3  2  0  0  0  0
 23  8  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
  4  9  1  0  0  0  0
 25 23  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <Mol_ID> (744)
744

>  <Formula> (744)
C18H16N2O5

>  <MolWeight> (744)
340.33004

>  <PCAT_CMPD_ID> (744)
WAY-354586

>  <CNC_ID> (744)
359442153

>  <transfer_container_id> (744)
PTN000000075

>  <COMPOUND_NUMBER> (744)
WAY-354586

>  <LOCATION_CODE> (744)
PTNCS

>  <AMOUNT_CURRENT> (744)
33

$$$$
WAY-357929
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0285   -1.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3681   -1.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4733   -1.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0612   -0.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784   -2.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1871   -0.4198    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5129   -0.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  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
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 11 16  2  0  0  0  0
 11 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
  8 12  1  0  0  0  0
 10 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (745)
745

>  <Formula> (745)
C16H13O3P

>  <MolWeight> (745)
284.246381

>  <PCAT_CMPD_ID> (745)
WAY-357929

>  <CNC_ID> (745)
359445672

>  <transfer_container_id> (745)
PTN000000076

>  <COMPOUND_NUMBER> (745)
WAY-357929

>  <LOCATION_CODE> (745)
PTNCS

>  <AMOUNT_CURRENT> (745)
32.6

$$$$
WAY-357995
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.3043    2.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (746)
746

>  <Formula> (746)
C13H9Cl2N3OS

>  <MolWeight> (746)
326.20106

>  <PCAT_CMPD_ID> (746)
WAY-357995

>  <CNC_ID> (746)
359445735

>  <transfer_container_id> (746)
PTN000000076

>  <COMPOUND_NUMBER> (746)
WAY-357995

>  <LOCATION_CODE> (746)
PTNCS

>  <AMOUNT_CURRENT> (746)
32.3

$$$$
WAY-358017
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14 13  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20 17  1  0  0  0  0
 21 10  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  2  0  0  0  0
 26 22  2  0  0  0  0
 10 14  1  0  0  0  0
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 26 25  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (747)
747

>  <Formula> (747)
C20H14BrN3O2

>  <MolWeight> (747)
408.24806

>  <PCAT_CMPD_ID> (747)
WAY-358017

>  <CNC_ID> (747)
359445757

>  <transfer_container_id> (747)
PTN000000076

>  <COMPOUND_NUMBER> (747)
WAY-358017

>  <LOCATION_CODE> (747)
PTNCS

>  <AMOUNT_CURRENT> (747)
32.8

$$$$
WAY-358067
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15  6  2  0  0  0  0
 16 18  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
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 21  8  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
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 20 24  2  0  0  0  0
 13  7  2  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (748)
748

>  <Formula> (748)
C19H13BrN4O

>  <MolWeight> (748)
393.23672

>  <PCAT_CMPD_ID> (748)
WAY-358067

>  <CNC_ID> (748)
359445602

>  <transfer_container_id> (748)
PTN000000076

>  <COMPOUND_NUMBER> (748)
WAY-358067

>  <LOCATION_CODE> (748)
PTNCS

>  <AMOUNT_CURRENT> (748)
32.5

$$$$
WAY-358198
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
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 16  5  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
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 19 18  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (749)
749

>  <Formula> (749)
C14H17BrN4

>  <MolWeight> (749)
321.21558

>  <PCAT_CMPD_ID> (749)
WAY-358198

>  <CNC_ID> (749)
359445930

>  <transfer_container_id> (749)
PTN000000076

>  <COMPOUND_NUMBER> (749)
WAY-358198

>  <LOCATION_CODE> (749)
PTNCS

>  <AMOUNT_CURRENT> (749)
32.9

$$$$
WAY-359163
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  8  2  0  0  0  0
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 13 14  1  0  0  0  0
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 17  7  1  0  0  0  0
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 13 15  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (750)
750

>  <Formula> (750)
C18H17FN4

>  <MolWeight> (750)
308.3527832

>  <PCAT_CMPD_ID> (750)
WAY-359163

>  <CNC_ID> (750)
359446859

>  <transfer_container_id> (750)
PTN000000076

>  <COMPOUND_NUMBER> (750)
WAY-359163

>  <LOCATION_CODE> (750)
PTNCS

>  <AMOUNT_CURRENT> (750)
32.7

$$$$
WAY-359631
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11  3  1  0  0  0  0
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 17  6  1  0  0  0  0
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M  END
>  <Mol_ID> (751)
751

>  <Formula> (751)
C17H15NO3

>  <MolWeight> (751)
281.3059

>  <PCAT_CMPD_ID> (751)
WAY-359631

>  <CNC_ID> (751)
359447313

>  <transfer_container_id> (751)
PTN000000076

>  <COMPOUND_NUMBER> (751)
WAY-359631

>  <LOCATION_CODE> (751)
PTNCS

>  <AMOUNT_CURRENT> (751)
32.4

$$$$
WAY-359714-A
csChFnd80/10101909502D

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 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (752)
752

>  <Formula> (752)
C10H9ClN2S

>  <MolWeight> (752)
224.70986

>  <PCAT_CMPD_ID> (752)
WAY-359714-A

>  <CNC_ID> (752)
359447396

>  <transfer_container_id> (752)
PTN000000076

>  <COMPOUND_NUMBER> (752)
WAY-359714-A

>  <LOCATION_CODE> (752)
PTNCS

>  <AMOUNT_CURRENT> (752)
32.8

$$$$
WAY-380369
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
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 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (753)
753

>  <Formula> (753)
C11H10N2O3S

>  <MolWeight> (753)
250.2737

>  <PCAT_CMPD_ID> (753)
WAY-380369

>  <CNC_ID> (753)
359448047

>  <transfer_container_id> (753)
PTN000000076

>  <COMPOUND_NUMBER> (753)
WAY-380369

>  <LOCATION_CODE> (753)
PTNCS

>  <AMOUNT_CURRENT> (753)
32.5

$$$$
WAY-381340
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 13 16  2  0  0  0  0
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M  END
>  <Mol_ID> (754)
754

>  <Formula> (754)
C15H18N2

>  <MolWeight> (754)
226.31682

>  <PCAT_CMPD_ID> (754)
WAY-381340

>  <CNC_ID> (754)
359449015

>  <transfer_container_id> (754)
PTN000000076

>  <COMPOUND_NUMBER> (754)
WAY-381340

>  <LOCATION_CODE> (754)
PTNCS

>  <AMOUNT_CURRENT> (754)
32.4

$$$$
WAY-313350
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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 19 21  1  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (755)
755

>  <Formula> (755)
C15H18ClN3O2S

>  <MolWeight> (755)
339.84032

>  <PCAT_CMPD_ID> (755)
WAY-313350

>  <CNC_ID> (755)
359328386

>  <transfer_container_id> (755)
PTN000000067

>  <COMPOUND_NUMBER> (755)
WAY-313350

>  <LOCATION_CODE> (755)
PTNCS

>  <AMOUNT_CURRENT> (755)
33.6

$$$$
WAY-389131
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 17  9  1  0  0  0  0
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 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (756)
756

>  <Formula> (756)
C13H8Cl2N2OS

>  <MolWeight> (756)
311.18642

>  <PCAT_CMPD_ID> (756)
WAY-389131

>  <CNC_ID> (756)
359320945

>  <transfer_container_id> (756)
PTN000000065

>  <COMPOUND_NUMBER> (756)
WAY-389131

>  <LOCATION_CODE> (756)
PTNCS

>  <AMOUNT_CURRENT> (756)
32.9

$$$$
WAY-642686
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 14  3  2  0  0  0  0
 15  9  2  0  0  0  0
 16  6  2  0  0  0  0
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 20  1  1  0  0  0  0
 21  1  1  0  0  0  0
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 24  2  1  0  0  0  0
 25  5  1  0  0  0  0
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 29 25  2  0  0  0  0
 17 19  2  0  0  0  0
 31 27  2  0  0  0  0
M  END
>  <Mol_ID> (757)
757

>  <Formula> (757)
C22H18F4N2O3

>  <MolWeight> (757)
434.3835328

>  <PCAT_CMPD_ID> (757)
WAY-642686

>  <CNC_ID> (757)
359324424

>  <transfer_container_id> (757)
PTN000000065

>  <COMPOUND_NUMBER> (757)
WAY-642686

>  <LOCATION_CODE> (757)
PTNCS

>  <AMOUNT_CURRENT> (757)
33

$$$$
WAY-663437
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  9 15  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  2  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17  6  1  0  0  0  0
 18 11  1  0  0  0  0
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 14 10  1  0  0  0  0
 21 18  2  0  0  0  0
M  END
>  <Mol_ID> (758)
758

>  <Formula> (758)
C16H15NO3S

>  <MolWeight> (758)
301.3602

>  <PCAT_CMPD_ID> (758)
WAY-663437

>  <CNC_ID> (758)
359326340

>  <transfer_container_id> (758)
PTN000000065

>  <COMPOUND_NUMBER> (758)
WAY-663437

>  <LOCATION_CODE> (758)
PTNCS

>  <AMOUNT_CURRENT> (758)
32.6

$$$$
WAY-641930
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
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 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  2  0  0  0  0
 14  3  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 10  2  0  0  0  0
 18 15  1  0  0  0  0
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 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 10  3  1  0  0  0  0
  2  4  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C13H8F3N3O2S

>  <MolWeight> (759)
327.2817296

>  <PCAT_CMPD_ID> (759)
WAY-641930

>  <CNC_ID> (759)
359323668

>  <transfer_container_id> (759)
PTN000000065

>  <COMPOUND_NUMBER> (759)
WAY-641930

>  <LOCATION_CODE> (759)
PTNCS

>  <AMOUNT_CURRENT> (759)
32.4

$$$$
WAY-616622
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
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 13  2  1  0  0  0  0
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 15 10  2  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
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 21 10  1  0  0  0  0
 22 15  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 11  4  2  0  0  0  0
 17 19  1  0  0  0  0
  5  3  2  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (760)
760

>  <Formula> (760)
C15H9BrClN5O2

>  <MolWeight> (760)
406.62126

>  <PCAT_CMPD_ID> (760)
WAY-616622

>  <CNC_ID> (760)
359321708

>  <transfer_container_id> (760)
PTN000000065

>  <COMPOUND_NUMBER> (760)
WAY-616622

>  <LOCATION_CODE> (760)
PTNCS

>  <AMOUNT_CURRENT> (760)
32.7

$$$$
WAY-642905
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
 12  1  1  0  0  0  0
 13  8  1  0  0  0  0
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 15  1  2  0  0  0  0
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 21  3  1  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
 24  7  1  0  0  0  0
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  8  7  2  0  0  0  0
 25 24  2  0  0  0  0
 14 19  2  0  0  0  0
 10  6  2  0  0  0  0
M  END
>  <Mol_ID> (761)
761

>  <Formula> (761)
C17H10N4O4

>  <MolWeight> (761)
334.2857

>  <PCAT_CMPD_ID> (761)
WAY-642905

>  <CNC_ID> (761)
359324643

>  <transfer_container_id> (761)
PTN000000065

>  <COMPOUND_NUMBER> (761)
WAY-642905

>  <LOCATION_CODE> (761)
PTNCS

>  <AMOUNT_CURRENT> (761)
32.3

$$$$
WAY-663260
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
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  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
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 25 22  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (762)
762

>  <Formula> (762)
C19H22N2O3S

>  <MolWeight> (762)
358.45458

>  <PCAT_CMPD_ID> (762)
WAY-663260

>  <CNC_ID> (762)
359326163

>  <transfer_container_id> (762)
PTN000000065

>  <COMPOUND_NUMBER> (762)
WAY-663260

>  <LOCATION_CODE> (762)
PTNCS

>  <AMOUNT_CURRENT> (762)
32.9

$$$$
WAY-642448
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  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  5  1  0  0  0  0
 10 15  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 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  3  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
  4  2  1  0  0  0  0
 10  8  2  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (763)
763

>  <Formula> (763)
C17H16N2OS

>  <MolWeight> (763)
296.38674

>  <PCAT_CMPD_ID> (763)
WAY-642448

>  <CNC_ID> (763)
359324186

>  <transfer_container_id> (763)
PTN000000065

>  <COMPOUND_NUMBER> (763)
WAY-642448

>  <LOCATION_CODE> (763)
PTNCS

>  <AMOUNT_CURRENT> (763)
32.4

$$$$
WAY-642167
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.0708    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18  6  1  0  0  0  0
 19  5  1  0  0  0  0
 20  8  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
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 26 20  2  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  2  0  0  0  0
 30 28  2  0  0  0  0
 12  4  1  0  0  0  0
 27 21  2  0  0  0  0
 30 29  1  0  0  0  0
 25 19  2  0  0  0  0
M  END
>  <Mol_ID> (764)
764

>  <Formula> (764)
C24H19F3N2O

>  <MolWeight> (764)
408.4156696

>  <PCAT_CMPD_ID> (764)
WAY-642167

>  <CNC_ID> (764)
359323905

>  <transfer_container_id> (764)
PTN000000065

>  <COMPOUND_NUMBER> (764)
WAY-642167

>  <LOCATION_CODE> (764)
PTNCS

>  <AMOUNT_CURRENT> (764)
32.3

$$$$
WAY-663113
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.1500   -2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
  4  6  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (765)
765

>  <Formula> (765)
C12H17N3O3

>  <MolWeight> (765)
251.28168

>  <PCAT_CMPD_ID> (765)
WAY-663113

>  <CNC_ID> (765)
359326016

>  <transfer_container_id> (765)
PTN000000065

>  <COMPOUND_NUMBER> (765)
WAY-663113

>  <LOCATION_CODE> (765)
PTNCS

>  <AMOUNT_CURRENT> (765)
32.7

$$$$
WAY-643458
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14  1  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 10  1  0  0  0  0
 18  8  2  0  0  0  0
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 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 22  1  0  0  0  0
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 25 23  2  0  0  0  0
  5  4  2  0  0  0  0
  7 15  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (766)
766

>  <Formula> (766)
C19H12F3NO2

>  <MolWeight> (766)
343.2992896

>  <PCAT_CMPD_ID> (766)
WAY-643458

>  <CNC_ID> (766)
359325196

>  <transfer_container_id> (766)
PTN000000065

>  <COMPOUND_NUMBER> (766)
WAY-643458

>  <LOCATION_CODE> (766)
PTNCS

>  <AMOUNT_CURRENT> (766)
32.2

$$$$
WAY-643840
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11 16  2  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 13  2  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
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 26 20  2  0  0  0  0
 25 19  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (767)
767

>  <Formula> (767)
C21H18FNO3

>  <MolWeight> (767)
351.3709232

>  <PCAT_CMPD_ID> (767)
WAY-643840

>  <CNC_ID> (767)
359325579

>  <transfer_container_id> (767)
PTN000000065

>  <COMPOUND_NUMBER> (767)
WAY-643840

>  <LOCATION_CODE> (767)
PTNCS

>  <AMOUNT_CURRENT> (767)
32.8

$$$$
WAY-643859-A
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  2  0  0  0  0
  5  7  2  0  0  0  0
  6  2  2  0  0  0  0
  7  4  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 21  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17  5  1  0  0  0  0
 18  4  1  0  0  0  0
 19  7  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
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 23 19  2  0  0  0  0
  8 10  2  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (768)
768

>  <Formula> (768)
C20H20N2O

>  <MolWeight> (768)
304.3856

>  <PCAT_CMPD_ID> (768)
WAY-643859-A

>  <CNC_ID> (768)
359325598

>  <transfer_container_id> (768)
PTN000000065

>  <COMPOUND_NUMBER> (768)
WAY-643859-A

>  <LOCATION_CODE> (768)
PTNCS

>  <AMOUNT_CURRENT> (768)
32.5

$$$$
WAY-623549
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  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
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  7  8  1  0  0  0  0
  8 14  1  0  0  0  0
  9 16  1  0  0  0  0
 10  1  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14 15  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
 20  9  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  3  5  2  0  0  0  0
 22 19  2  0  0  0  0
 17  9  1  0  0  0  0
M  END
>  <Mol_ID> (769)
769

>  <Formula> (769)
C16H20N4O2

>  <MolWeight> (769)
300.3556

>  <PCAT_CMPD_ID> (769)
WAY-623549

>  <CNC_ID> (769)
359322169

>  <transfer_container_id> (769)
PTN000000065

>  <COMPOUND_NUMBER> (769)
WAY-623549

>  <LOCATION_CODE> (769)
PTNCS

>  <AMOUNT_CURRENT> (769)
32.8

$$$$
WAY-643998
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12 16  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15  2  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18  4  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
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 22 18  2  0  0  0  0
 23 21  2  0  0  0  0
 11  4  2  0  0  0  0
 22 23  1  0  0  0  0
  8  5  1  0  0  0  0
M  END
>  <Mol_ID> (770)
770

>  <Formula> (770)
C16H15N3O4

>  <MolWeight> (770)
313.308

>  <PCAT_CMPD_ID> (770)
WAY-643998

>  <CNC_ID> (770)
359325737

>  <transfer_container_id> (770)
PTN000000065

>  <COMPOUND_NUMBER> (770)
WAY-643998

>  <LOCATION_CODE> (770)
PTNCS

>  <AMOUNT_CURRENT> (770)
32.8

$$$$
WAY-625687
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  6  2  0  0  0  0
 16  3  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  5  2  1  0  0  0  0
 16 18  2  0  0  0  0
 22 20  2  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (771)
771

>  <Formula> (771)
C18H12O3S

>  <MolWeight> (771)
308.35108

>  <PCAT_CMPD_ID> (771)
WAY-625687

>  <CNC_ID> (771)
359334496

>  <transfer_container_id> (771)
PTN000000067

>  <COMPOUND_NUMBER> (771)
WAY-625687

>  <LOCATION_CODE> (771)
PTNCS

>  <AMOUNT_CURRENT> (771)
32.3

$$$$
WAY-625692
csChFnd80/10101909502D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (772)
772

>  <Formula> (772)
C25H17N5O3S

>  <MolWeight> (772)
467.49918

>  <PCAT_CMPD_ID> (772)
WAY-625692

>  <CNC_ID> (772)
359334501

>  <transfer_container_id> (772)
PTN000000067

>  <COMPOUND_NUMBER> (772)
WAY-625692

>  <LOCATION_CODE> (772)
PTNCS

>  <AMOUNT_CURRENT> (772)
32.3

$$$$
WAY-626063
csChFnd80/10101909502D

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  2  1  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  2  0  0  0  0
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M  END
>  <Mol_ID> (773)
773

>  <Formula> (773)
C19H21N3O2S

>  <MolWeight> (773)
355.45394

>  <PCAT_CMPD_ID> (773)
WAY-626063

>  <CNC_ID> (773)
359334872

>  <transfer_container_id> (773)
PTN000000067

>  <COMPOUND_NUMBER> (773)
WAY-626063

>  <LOCATION_CODE> (773)
PTNCS

>  <AMOUNT_CURRENT> (773)
32.8

$$$$
WAY-644932
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  7 11  2  0  0  0  0
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 10  4  1  0  0  0  0
 11 21  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 19  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  1  0  0  0  0
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 23 22  1  0  0  0  0
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 14 13  1  0  0  0  0
 16  8  2  0  0  0  0
M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C16H12Cl2N2O3

>  <MolWeight> (774)
351.18408

>  <PCAT_CMPD_ID> (774)
WAY-644932

>  <CNC_ID> (774)
359337604

>  <transfer_container_id> (774)
PTN000000067

>  <COMPOUND_NUMBER> (774)
WAY-644932

>  <LOCATION_CODE> (774)
PTNCS

>  <AMOUNT_CURRENT> (774)
32

$$$$
WAY-645846
csChFnd80/10101909502D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 13  5  1  0  0  0  0
 14  1  2  0  0  0  0
 15  2  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18  8  1  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
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 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
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 12 20  1  0  0  0  0
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  9  7  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (775)
775

>  <Formula> (775)
C21H28N2O3

>  <MolWeight> (775)
356.45862

>  <PCAT_CMPD_ID> (775)
WAY-645846

>  <CNC_ID> (775)
359338518

>  <transfer_container_id> (775)
PTN000000067

>  <COMPOUND_NUMBER> (775)
WAY-645846

>  <LOCATION_CODE> (775)
PTNCS

>  <AMOUNT_CURRENT> (775)
32.3

$$$$
WAY-647135
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 26 24  2  0  0  0  0
  5  4  1  0  0  0  0
 11 19  1  0  0  0  0
 22 21  1  0  0  0  0
 25 23  2  0  0  0  0
M  END
>  <Mol_ID> (776)
776

>  <Formula> (776)
C18H17N5O3

>  <MolWeight> (776)
351.35928

>  <PCAT_CMPD_ID> (776)
WAY-647135

>  <CNC_ID> (776)
359339808

>  <transfer_container_id> (776)
PTN000000067

>  <COMPOUND_NUMBER> (776)
WAY-647135

>  <LOCATION_CODE> (776)
PTNCS

>  <AMOUNT_CURRENT> (776)
32.5

$$$$
WAY-627911
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
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  5  2  2  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10 13  1  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13 18  1  0  0  0  0
 14  4  2  0  0  0  0
 15  6  2  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18  9  2  0  0  0  0
 19  4  1  0  0  0  0
 20 17  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  5 12  1  0  0  0  0
 13 11  2  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (777)
777

>  <Formula> (777)
C19H18N2O3

>  <MolWeight> (777)
322.35782

>  <PCAT_CMPD_ID> (777)
WAY-627911

>  <CNC_ID> (777)
359349061

>  <transfer_container_id> (777)
PTN000000068

>  <COMPOUND_NUMBER> (777)
WAY-627911

>  <LOCATION_CODE> (777)
PTNCS

>  <AMOUNT_CURRENT> (777)
32.7

$$$$
WAY-627955
csChFnd80/10101909502D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.4958    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  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 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12 15  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17 22  1  0  0  0  0
 18  5  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 10  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 11  1  0  0  0  0
 25 18  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
  4  5  2  0  0  0  0
 11  7  2  0  0  0  0
 12 16  2  0  0  0  0
 24 27  2  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (778)
778

>  <Formula> (778)
C21H21N5O

>  <MolWeight> (778)
359.42434

>  <PCAT_CMPD_ID> (778)
WAY-627955

>  <CNC_ID> (778)
359349105

>  <transfer_container_id> (778)
PTN000000068

>  <COMPOUND_NUMBER> (778)
WAY-627955

>  <LOCATION_CODE> (778)
PTNCS

>  <AMOUNT_CURRENT> (778)
32.3

$$$$
WAY-627962-A
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.8625    1.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
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  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 12 14  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  6  3  1  0  0  0  0
 21 19  2  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (779)
779

>  <Formula> (779)
C15H12Cl2N2OS

>  <MolWeight> (779)
339.23958

>  <PCAT_CMPD_ID> (779)
WAY-627962-A

>  <CNC_ID> (779)
359349112

>  <transfer_container_id> (779)
PTN000000068

>  <COMPOUND_NUMBER> (779)
WAY-627962-A

>  <LOCATION_CODE> (779)
PTNCS

>  <AMOUNT_CURRENT> (779)
32.5

$$$$
WAY-628166
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.7417    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  8  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 19  1  0  0  0  0
 19 12  2  0  0  0  0
 20 11  1  0  0  0  0
 18 20  2  0  0  0  0
  7  5  2  0  0  0  0
  3 13  2  0  0  0  0
M  END
>  <Mol_ID> (780)
780

>  <Formula> (780)
C14H9Cl2N3O

>  <MolWeight> (780)
306.14676

>  <PCAT_CMPD_ID> (780)
WAY-628166

>  <CNC_ID> (780)
359349316

>  <transfer_container_id> (780)
PTN000000068

>  <COMPOUND_NUMBER> (780)
WAY-628166

>  <LOCATION_CODE> (780)
PTNCS

>  <AMOUNT_CURRENT> (780)
32.4

$$$$
WAY-628263
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.1667   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  1  0  0  0  0
 14  9  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
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 19 18  2  0  0  0  0
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  8  6  2  0  0  0  0
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 12 15  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (781)
781

>  <Formula> (781)
C17H13NO3

>  <MolWeight> (781)
279.29002

>  <PCAT_CMPD_ID> (781)
WAY-628263

>  <CNC_ID> (781)
359349413

>  <transfer_container_id> (781)
PTN000000068

>  <COMPOUND_NUMBER> (781)
WAY-628263

>  <LOCATION_CODE> (781)
PTNCS

>  <AMOUNT_CURRENT> (781)
32.4

$$$$
WAY-628603
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.6625   -0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
 12  4  1  0  0  0  0
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 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
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 26 24  2  0  0  0  0
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 26 23  1  0  0  0  0
 25 17  2  0  0  0  0
M  END
>  <Mol_ID> (782)
782

>  <Formula> (782)
C20H17NO4S

>  <MolWeight> (782)
367.41828

>  <PCAT_CMPD_ID> (782)
WAY-628603

>  <CNC_ID> (782)
359349754

>  <transfer_container_id> (782)
PTN000000068

>  <COMPOUND_NUMBER> (782)
WAY-628603

>  <LOCATION_CODE> (782)
PTNCS

>  <AMOUNT_CURRENT> (782)
32.7

$$$$
WAY-630183
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3 18  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
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  7  2  1  0  0  0  0
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 10  7  2  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14 11  2  0  0  0  0
 15  4  2  0  0  0  0
 16  3  2  0  0  0  0
 17  4  1  0  0  0  0
 18 23  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  1  0  0  0  0
 23 24  1  0  0  0  0
 24 17  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <Mol_ID> (783)
783

>  <Formula> (783)
C16H12F4N2O2

>  <MolWeight> (783)
340.2722928

>  <PCAT_CMPD_ID> (783)
WAY-630183

>  <CNC_ID> (783)
359351332

>  <transfer_container_id> (783)
PTN000000068

>  <COMPOUND_NUMBER> (783)
WAY-630183

>  <LOCATION_CODE> (783)
PTNCS

>  <AMOUNT_CURRENT> (783)
32.4

$$$$
WAY-386538
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.2792    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  1  0  0  0  0
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 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 11  9  2  0  0  0  0
  4  2  1  0  0  0  0
 12 10  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (784)
784

>  <Formula> (784)
C15H14N6

>  <MolWeight> (784)
278.31186

>  <PCAT_CMPD_ID> (784)
WAY-386538

>  <CNC_ID> (784)
359361092

>  <transfer_container_id> (784)
PTN000000069

>  <COMPOUND_NUMBER> (784)
WAY-386538

>  <LOCATION_CODE> (784)
PTNCS

>  <AMOUNT_CURRENT> (784)
32

$$$$
WAY-613509-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.4483   -0.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
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 17 14  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (785)
785

>  <Formula> (785)
C14H18ClNO

>  <MolWeight> (785)
251.75182

>  <PCAT_CMPD_ID> (785)
WAY-613509

>  <CNC_ID> (785)
359361532

>  <transfer_container_id> (785)
PTN000000069

>  <COMPOUND_NUMBER> (785)
WAY-613509

>  <LOCATION_CODE> (785)
PTNCS

>  <AMOUNT_CURRENT> (785)
32.3

$$$$
WAY-614101-A
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
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 16 12  2  0  0  0  0
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 10  9  1  0  0  0  0
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 19 15  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (786)
786

>  <Formula> (786)
C18H15N

>  <MolWeight> (786)
245.3184

>  <PCAT_CMPD_ID> (786)
WAY-614101

>  <CNC_ID> (786)
359362124

>  <transfer_container_id> (786)
PTN000000069

>  <COMPOUND_NUMBER> (786)
WAY-614101

>  <LOCATION_CODE> (786)
PTNCS

>  <AMOUNT_CURRENT> (786)
32.5

$$$$
WAY-630382
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14  5  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 17  1  0  0  0  0
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 23 20  2  0  0  0  0
 24 19  2  0  0  0  0
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 24 23  1  0  0  0  0
  9 11  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (787)
787

>  <Formula> (787)
C18H11NO5

>  <MolWeight> (787)
321.28364

>  <PCAT_CMPD_ID> (787)
WAY-630382

>  <CNC_ID> (787)
359362901

>  <transfer_container_id> (787)
PTN000000069

>  <COMPOUND_NUMBER> (787)
WAY-630382

>  <LOCATION_CODE> (787)
PTNCS

>  <AMOUNT_CURRENT> (787)
32.7

$$$$
WAY-630637
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14  4  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 10  1  0  0  0  0
 18 20  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 21  1  0  0  0  0
 24 16  2  0  0  0  0
 25 24  1  0  0  0  0
 10  5  1  0  0  0  0
 18 19  1  0  0  0  0
 25 17  2  0  0  0  0
M  END
>  <Mol_ID> (788)
788

>  <Formula> (788)
C19H23N3O3

>  <MolWeight> (788)
341.40422

>  <PCAT_CMPD_ID> (788)
WAY-630637

>  <CNC_ID> (788)
359363156

>  <transfer_container_id> (788)
PTN000000069

>  <COMPOUND_NUMBER> (788)
WAY-630637

>  <LOCATION_CODE> (788)
PTNCS

>  <AMOUNT_CURRENT> (788)
32.2

$$$$
WAY-630960
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  6  1  0  0  0  0
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  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 16  2  0  0  0  0
 20 18  2  0  0  0  0
  6 10  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (789)
789

>  <Formula> (789)
C15H14N2O3

>  <MolWeight> (789)
270.28326

>  <PCAT_CMPD_ID> (789)
WAY-630960

>  <CNC_ID> (789)
359363479

>  <transfer_container_id> (789)
PTN000000069

>  <COMPOUND_NUMBER> (789)
WAY-630960

>  <LOCATION_CODE> (789)
PTNCS

>  <AMOUNT_CURRENT> (789)
33

$$$$
WAY-630985
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  5  2  0  0  0  0
 11  8  2  0  0  0  0
 12  2  2  0  0  0  0
 13  4  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
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 23 21  1  0  0  0  0
 11 14  1  0  0  0  0
 20 16  2  0  0  0  0
  4  6  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (790)
790

>  <Formula> (790)
C19H16N2OS

>  <MolWeight> (790)
320.40814

>  <PCAT_CMPD_ID> (790)
WAY-630985

>  <CNC_ID> (790)
359363504

>  <transfer_container_id> (790)
PTN000000069

>  <COMPOUND_NUMBER> (790)
WAY-630985

>  <LOCATION_CODE> (790)
PTNCS

>  <AMOUNT_CURRENT> (790)
32.1

$$$$
WAY-631482
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  2  1  0  0  0  0
 14  4  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 17  6  1  0  0  0  0
 18  5  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 19  2  0  0  0  0
 22 20  2  0  0  0  0
  5  6  1  0  0  0  0
 11  9  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (791)
791

>  <Formula> (791)
C19H19NO2

>  <MolWeight> (791)
293.35966

>  <PCAT_CMPD_ID> (791)
WAY-631482

>  <CNC_ID> (791)
359364002

>  <transfer_container_id> (791)
PTN000000069

>  <COMPOUND_NUMBER> (791)
WAY-631482

>  <LOCATION_CODE> (791)
PTNCS

>  <AMOUNT_CURRENT> (791)
32.5

$$$$
WAY-631484
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  1  1  0  0  0  0
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 13  1  2  0  0  0  0
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 15  7  2  0  0  0  0
 16  2  1  0  0  0  0
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 22  5  1  0  0  0  0
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 12 11  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (792)
792

>  <Formula> (792)
C18H17ClN4O3S2

>  <MolWeight> (792)
436.93558

>  <PCAT_CMPD_ID> (792)
WAY-631484

>  <CNC_ID> (792)
359364004

>  <transfer_container_id> (792)
PTN000000069

>  <COMPOUND_NUMBER> (792)
WAY-631484

>  <LOCATION_CODE> (792)
PTNCS

>  <AMOUNT_CURRENT> (792)
32.5

$$$$
WAY-631624-A
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0708    1.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  2  0  0  0  0
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  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
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  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
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  3  2  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (793)
793

>  <Formula> (793)
C10H11N3O

>  <MolWeight> (793)
189.21384

>  <PCAT_CMPD_ID> (793)
WAY-631624

>  <CNC_ID> (793)
359364144

>  <transfer_container_id> (793)
PTN000000069

>  <COMPOUND_NUMBER> (793)
WAY-631624

>  <LOCATION_CODE> (793)
PTNCS

>  <AMOUNT_CURRENT> (793)
32.4

$$$$
WAY-632420
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  7 13  1  0  0  0  0
  8  5  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17  7  2  0  0  0  0
 18 12  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
 22 10  1  0  0  0  0
 23 10  2  0  0  0  0
 24 18  1  0  0  0  0
 25 18  2  0  0  0  0
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 27 22  2  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 28  2  0  0  0  0
 31 26  2  0  0  0  0
 14  4  1  0  0  0  0
 31 27  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (794)
794

>  <Formula> (794)
C24H27N3O4

>  <MolWeight> (794)
421.48888

>  <PCAT_CMPD_ID> (794)
WAY-632420

>  <CNC_ID> (794)
359364940

>  <transfer_container_id> (794)
PTN000000069

>  <COMPOUND_NUMBER> (794)
WAY-632420

>  <LOCATION_CODE> (794)
PTNCS

>  <AMOUNT_CURRENT> (794)
32.7

$$$$
WAY-649484
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
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 20 15  1  0  0  0  0
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  3  5  1  0  0  0  0
 18 16  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (795)
795

>  <Formula> (795)
C15H12FN3O2

>  <MolWeight> (795)
285.2730832

>  <PCAT_CMPD_ID> (795)
WAY-649484

>  <CNC_ID> (795)
359365191

>  <transfer_container_id> (795)
PTN000000069

>  <COMPOUND_NUMBER> (795)
WAY-649484

>  <LOCATION_CODE> (795)
PTNCS

>  <AMOUNT_CURRENT> (795)
33

$$$$
WAY-649991
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 12  2  1  0  0  0  0
 13 15  2  0  0  0  0
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 15  8  1  0  0  0  0
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 18  9  1  0  0  0  0
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 20 10  1  0  0  0  0
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 23 22  1  0  0  0  0
 14  6  2  0  0  0  0
 17 10  2  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <Mol_ID> (796)
796

>  <Formula> (796)
C17H16N4O2

>  <MolWeight> (796)
308.33454

>  <PCAT_CMPD_ID> (796)
WAY-649991

>  <CNC_ID> (796)
359365698

>  <transfer_container_id> (796)
PTN000000069

>  <COMPOUND_NUMBER> (796)
WAY-649991

>  <LOCATION_CODE> (796)
PTNCS

>  <AMOUNT_CURRENT> (796)
32.5

$$$$
WAY-650059
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  4  8  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (797)
797

>  <Formula> (797)
C14H15Cl2N3O4

>  <MolWeight> (797)
360.1926

>  <PCAT_CMPD_ID> (797)
WAY-650059

>  <CNC_ID> (797)
359365766

>  <transfer_container_id> (797)
PTN000000069

>  <COMPOUND_NUMBER> (797)
WAY-650059

>  <LOCATION_CODE> (797)
PTNCS

>  <AMOUNT_CURRENT> (797)
33

$$$$
WAY-650878
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
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  3  5  1  0  0  0  0
 19 18  2  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <Mol_ID> (798)
798

>  <Formula> (798)
C14H10ClN3O

>  <MolWeight> (798)
271.7017

>  <PCAT_CMPD_ID> (798)
WAY-650878

>  <CNC_ID> (798)
359366585

>  <transfer_container_id> (798)
PTN000000069

>  <COMPOUND_NUMBER> (798)
WAY-650878

>  <LOCATION_CODE> (798)
PTNCS

>  <AMOUNT_CURRENT> (798)
32.3

$$$$
WAY-651093
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -2.8375    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11 21  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15  1  2  0  0  0  0
 16  4  2  0  0  0  0
 17 19  2  0  0  0  0
 18  9  2  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22  7  1  0  0  0  0
 23  7  2  0  0  0  0
 24 25  2  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 24  1  0  0  0  0
 28 10  1  0  0  0  0
 29  9  1  0  0  0  0
 30 28  1  0  0  0  0
 24 26  1  0  0  0  0
 11 20  1  0  0  0  0
  5 17  1  0  0  0  0
M  END
>  <Mol_ID> (799)
799

>  <Formula> (799)
C23H24ClNO5

>  <MolWeight> (799)
429.89336

>  <PCAT_CMPD_ID> (799)
WAY-651093

>  <CNC_ID> (799)
359366800

>  <transfer_container_id> (799)
PTN000000069

>  <COMPOUND_NUMBER> (799)
WAY-651093

>  <LOCATION_CODE> (799)
PTNCS

>  <AMOUNT_CURRENT> (799)
32.7

$$$$
CL-383790
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.7093    1.6930    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
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 21 26  1  0  0  0  0
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 14 18  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (800)
800

>  <Formula> (800)
C18H18F3NO4

>  <MolWeight> (800)
369.3350296

>  <PCAT_CMPD_ID> (800)
CL-383790

>  <CNC_ID> (800)
359367404

>  <transfer_container_id> (800)
PTN000000070

>  <COMPOUND_NUMBER> (800)
CL-383790

>  <LOCATION_CODE> (800)
PTNCS

>  <AMOUNT_CURRENT> (800)
32.5

$$$$
WAY-270174
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  2  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
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 18 22  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (801)
801

>  <Formula> (801)
C20H18N2O3

>  <MolWeight> (801)
334.36852

>  <PCAT_CMPD_ID> (801)
WAY-270174

>  <CNC_ID> (801)
359369005

>  <transfer_container_id> (801)
PTN000000070

>  <COMPOUND_NUMBER> (801)
WAY-270174

>  <LOCATION_CODE> (801)
PTNCS

>  <AMOUNT_CURRENT> (801)
32.5

$$$$
WAY-270744
csChFnd80/10101909502D

 13 13  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
  6  4  1  0  0  0  0
M  END
>  <Mol_ID> (802)
802

>  <Formula> (802)
C7H13N3O2S

>  <MolWeight> (802)
203.26202

>  <PCAT_CMPD_ID> (802)
WAY-270744

>  <CNC_ID> (802)
359369573

>  <transfer_container_id> (802)
PTN000000070

>  <COMPOUND_NUMBER> (802)
WAY-270744

>  <LOCATION_CODE> (802)
PTNCS

>  <AMOUNT_CURRENT> (802)
32.5

$$$$
WAY-601234
csChFnd80/10101909502D

 20 20  0  0  0  0  0  0  0  0999 V2000
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   -0.4958   -0.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
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 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  0  0  0  0
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 20  9  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
>  <Mol_ID> (803)
803

>  <Formula> (803)
C17H28N2O

>  <MolWeight> (803)
276.41702

>  <PCAT_CMPD_ID> (803)
WAY-601234

>  <CNC_ID> (803)
359374962

>  <transfer_container_id> (803)
PTN000000070

>  <COMPOUND_NUMBER> (803)
WAY-601234

>  <LOCATION_CODE> (803)
PTNCS

>  <AMOUNT_CURRENT> (803)
32.5

$$$$
WAY-600938
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
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  9  7  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 13  2  0  0  0  0
 15  6  2  0  0  0  0
 16  5  2  0  0  0  0
 17  8  2  0  0  0  0
 18 15  1  0  0  0  0
 19  6  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  1  0  0  0  0
 22 15  1  0  0  0  0
 23 19  2  0  0  0  0
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 26 23  1  0  0  0  0
 12 11  2  0  0  0  0
 24 25  1  0  0  0  0
 14  9  1  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (804)
804

>  <Formula> (804)
C20H13ClN2O2S

>  <MolWeight> (804)
380.84742

>  <PCAT_CMPD_ID> (804)
WAY-600938

>  <CNC_ID> (804)
359374666

>  <transfer_container_id> (804)
PTN000000070

>  <COMPOUND_NUMBER> (804)
WAY-600938

>  <LOCATION_CODE> (804)
PTNCS

>  <AMOUNT_CURRENT> (804)
32.6

$$$$
WAY-600968
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
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  9 15  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  8  2  0  0  0  0
 22 13  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
  3  2  1  0  0  0  0
 25 22  1  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (805)
805

>  <Formula> (805)
C18H19N5O2

>  <MolWeight> (805)
337.37576

>  <PCAT_CMPD_ID> (805)
WAY-600968

>  <CNC_ID> (805)
359374696

>  <transfer_container_id> (805)
PTN000000070

>  <COMPOUND_NUMBER> (805)
WAY-600968

>  <LOCATION_CODE> (805)
PTNCS

>  <AMOUNT_CURRENT> (805)
32.4

$$$$
WAY-601028
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  9  3  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
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 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
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 22 17  2  0  0  0  0
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 13 16  1  0  0  0  0
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 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (806)
806

>  <Formula> (806)
C22H20N4

>  <MolWeight> (806)
340.421

>  <PCAT_CMPD_ID> (806)
WAY-601028

>  <CNC_ID> (806)
359374756

>  <transfer_container_id> (806)
PTN000000070

>  <COMPOUND_NUMBER> (806)
WAY-601028

>  <LOCATION_CODE> (806)
PTNCS

>  <AMOUNT_CURRENT> (806)
32.3

$$$$
WAY-601759
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  8  3  2  0  0  0  0
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 10 17  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 14  1  0  0  0  0
 19 14  2  0  0  0  0
  5  4  1  0  0  0  0
 13 12  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Mol_ID> (807)
807

>  <Formula> (807)
C15H14N2OS

>  <MolWeight> (807)
270.34946

>  <PCAT_CMPD_ID> (807)
WAY-601759

>  <CNC_ID> (807)
359375487

>  <transfer_container_id> (807)
PTN000000070

>  <COMPOUND_NUMBER> (807)
WAY-601759

>  <LOCATION_CODE> (807)
PTNCS

>  <AMOUNT_CURRENT> (807)
32.3

$$$$
WAY-601831
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.6750    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
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 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
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 19  9  1  0  0  0  0
 20  9  2  0  0  0  0
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 28 24  1  0  0  0  0
 15 16  2  0  0  0  0
 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (808)
808

>  <Formula> (808)
C22H18ClN3O2

>  <MolWeight> (808)
391.85022

>  <PCAT_CMPD_ID> (808)
WAY-601831

>  <CNC_ID> (808)
359375560

>  <transfer_container_id> (808)
PTN000000070

>  <COMPOUND_NUMBER> (808)
WAY-601831

>  <LOCATION_CODE> (808)
PTNCS

>  <AMOUNT_CURRENT> (808)
33

$$$$
WAY-615397
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
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  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13 14  2  0  0  0  0
 14 12  1  0  0  0  0
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 16 13  1  0  0  0  0
 17  8  1  0  0  0  0
  5  8  1  0  0  0  0
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 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (809)
809

>  <Formula> (809)
C13H10BrNOS

>  <MolWeight> (809)
308.1936

>  <PCAT_CMPD_ID> (809)
WAY-615397

>  <CNC_ID> (809)
359376119

>  <transfer_container_id> (809)
PTN000000070

>  <COMPOUND_NUMBER> (809)
WAY-615397

>  <LOCATION_CODE> (809)
PTNCS

>  <AMOUNT_CURRENT> (809)
32.1

$$$$
WAY-632511
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  2  0  0  0  0
 13 11  1  0  0  0  0
 14  6  1  0  0  0  0
 15  3  2  0  0  0  0
 16 17  2  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  2  0  0  0  0
 23 22  1  0  0  0  0
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 25 22  1  0  0  0  0
  2  4  1  0  0  0  0
  8 13  2  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (810)
810

>  <Formula> (810)
C16H9F4N3O2

>  <MolWeight> (810)
351.2551728

>  <PCAT_CMPD_ID> (810)
WAY-632511

>  <CNC_ID> (810)
359376627

>  <transfer_container_id> (810)
PTN000000070

>  <COMPOUND_NUMBER> (810)
WAY-632511

>  <LOCATION_CODE> (810)
PTNCS

>  <AMOUNT_CURRENT> (810)
32.7

$$$$
WAY-632609
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.5125   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
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 14  6  1  0  0  0  0
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 18 14  2  0  0  0  0
 12 15  1  0  0  0  0
  5  4  1  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <Mol_ID> (811)
811

>  <Formula> (811)
C15H20N2O

>  <MolWeight> (811)
244.3321

>  <PCAT_CMPD_ID> (811)
WAY-632609

>  <CNC_ID> (811)
359376725

>  <transfer_container_id> (811)
PTN000000070

>  <COMPOUND_NUMBER> (811)
WAY-632609

>  <LOCATION_CODE> (811)
PTNCS

>  <AMOUNT_CURRENT> (811)
32.7

$$$$
WAY-633155
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
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 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 14  1  0  0  0  0
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 29 24  2  0  0  0  0
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 28 25  2  0  0  0  0
 29 27  1  0  0  0  0
M  END
>  <Mol_ID> (812)
812

>  <Formula> (812)
C22H19F3N2O2

>  <MolWeight> (812)
400.3936696

>  <PCAT_CMPD_ID> (812)
WAY-633155

>  <CNC_ID> (812)
359377271

>  <transfer_container_id> (812)
PTN000000070

>  <COMPOUND_NUMBER> (812)
WAY-633155

>  <LOCATION_CODE> (812)
PTNCS

>  <AMOUNT_CURRENT> (812)
32

$$$$
WAY-633358
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
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 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16 10  2  0  0  0  0
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 27 25  2  0  0  0  0
M  END
>  <Mol_ID> (813)
813

>  <Formula> (813)
C22H21N3O2S

>  <MolWeight> (813)
391.48604

>  <PCAT_CMPD_ID> (813)
WAY-633358

>  <CNC_ID> (813)
359377474

>  <transfer_container_id> (813)
PTN000000070

>  <COMPOUND_NUMBER> (813)
WAY-633358

>  <LOCATION_CODE> (813)
PTNCS

>  <AMOUNT_CURRENT> (813)
32.4

$$$$
WAY-271630
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (814)
814

>  <Formula> (814)
C15H13N3S

>  <MolWeight> (814)
267.34882

>  <PCAT_CMPD_ID> (814)
WAY-271630

>  <CNC_ID> (814)
359381153

>  <transfer_container_id> (814)
PTN000000071

>  <COMPOUND_NUMBER> (814)
WAY-271630

>  <LOCATION_CODE> (814)
PTNCS

>  <AMOUNT_CURRENT> (814)
32.5

$$$$
WAY-271960
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
  8 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (815)
815

>  <Formula> (815)
C18H20N2O2

>  <MolWeight> (815)
296.3636

>  <PCAT_CMPD_ID> (815)
WAY-271960

>  <CNC_ID> (815)
359381482

>  <transfer_container_id> (815)
PTN000000071

>  <COMPOUND_NUMBER> (815)
WAY-271960

>  <LOCATION_CODE> (815)
PTNCS

>  <AMOUNT_CURRENT> (815)
32.5

$$$$
WAY-601936
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
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 13  8  1  0  0  0  0
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 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  8  2  0  0  0  0
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 25  2  1  0  0  0  0
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 26  9  2  0  0  0  0
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 23 12  1  0  0  0  0
M  END
>  <Mol_ID> (816)
816

>  <Formula> (816)
C18H24N4O4S2

>  <MolWeight> (816)
424.53756

>  <PCAT_CMPD_ID> (816)
WAY-601936

>  <CNC_ID> (816)
359387884

>  <transfer_container_id> (816)
PTN000000071

>  <COMPOUND_NUMBER> (816)
WAY-601936

>  <LOCATION_CODE> (816)
PTNCS

>  <AMOUNT_CURRENT> (816)
32.5

$$$$
WAY-602184
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 13  3  1  0  0  0  0
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 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (817)
817

>  <Formula> (817)
C11H13N3S2

>  <MolWeight> (817)
251.37102

>  <PCAT_CMPD_ID> (817)
WAY-602184

>  <CNC_ID> (817)
359388132

>  <transfer_container_id> (817)
PTN000000071

>  <COMPOUND_NUMBER> (817)
WAY-602184

>  <LOCATION_CODE> (817)
PTNCS

>  <AMOUNT_CURRENT> (817)
32.8

$$$$
WAY-602429
csChFnd80/10101909502D

 35 39  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  2  0  0  0  0
  6  2  1  0  0  0  0
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  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  8  1  0  0  0  0
 12 14  2  0  0  0  0
 13  1  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18  6  1  0  0  0  0
 19 26  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23  9  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 18  2  0  0  0  0
 29 18  1  0  0  0  0
 30 22  1  0  0  0  0
 31 25  1  0  0  0  0
 32 24  1  0  0  0  0
 33 29  2  0  0  0  0
 34 28  1  0  0  0  0
 35 33  1  0  0  0  0
 19 27  1  0  0  0  0
  2  5  1  0  0  0  0
  6  7  1  0  0  0  0
 12 15  1  0  0  0  0
 35 34  2  0  0  0  0
M  END
>  <Mol_ID> (818)
818

>  <Formula> (818)
C24H27N4O6P

>  <MolWeight> (818)
498.468141

>  <PCAT_CMPD_ID> (818)
WAY-602429

>  <CNC_ID> (818)
359388377

>  <transfer_container_id> (818)
PTN000000071

>  <COMPOUND_NUMBER> (818)
WAY-602429

>  <LOCATION_CODE> (818)
PTNCS

>  <AMOUNT_CURRENT> (818)
32.4

$$$$
WAY-603093
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
   -0.2833   -0.2167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  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  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  2  0  0  0  0
 12  1  1  0  0  0  0
 13  2  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  2  0  0  0  0
  4  6  1  0  0  0  0
  8  7  2  0  0  0  0
 14  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (819)
819

>  <Formula> (819)
C16H13NO4

>  <MolWeight> (819)
283.27872

>  <PCAT_CMPD_ID> (819)
WAY-603093

>  <CNC_ID> (819)
359389041

>  <transfer_container_id> (819)
PTN000000071

>  <COMPOUND_NUMBER> (819)
WAY-603093

>  <LOCATION_CODE> (819)
PTNCS

>  <AMOUNT_CURRENT> (819)
32.2

$$$$
WAY-603335
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  3  2  1  0  0  0  0
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  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 16  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
  6 13  1  0  0  0  0
 14 16  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (820)
820

>  <Formula> (820)
C16H16N2O2S2

>  <MolWeight> (820)
332.44044

>  <PCAT_CMPD_ID> (820)
WAY-603335

>  <CNC_ID> (820)
359389283

>  <transfer_container_id> (820)
PTN000000071

>  <COMPOUND_NUMBER> (820)
WAY-603335

>  <LOCATION_CODE> (820)
PTNCS

>  <AMOUNT_CURRENT> (820)
32.2

$$$$
WAY-634901
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.7208    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15  3  1  0  0  0  0
 16 18  2  0  0  0  0
 17  8  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  2  0  0  0  0
 20 11  1  0  0  0  0
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 27 24  2  0  0  0  0
 28 26  2  0  0  0  0
  5 12  1  0  0  0  0
 16 19  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
>  <Mol_ID> (821)
821

>  <Formula> (821)
C23H31N3O2

>  <MolWeight> (821)
381.51114

>  <PCAT_CMPD_ID> (821)
WAY-634901

>  <CNC_ID> (821)
359390002

>  <transfer_container_id> (821)
PTN000000071

>  <COMPOUND_NUMBER> (821)
WAY-634901

>  <LOCATION_CODE> (821)
PTNCS

>  <AMOUNT_CURRENT> (821)
33

$$$$
WAY-635111
csChFnd80/10101909502D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 33 31  1  0  0  0  0
 34 32  1  0  0  0  0
 19 25  1  0  0  0  0
 34 30  2  0  0  0  0
 33 29  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (822)
822

>  <Formula> (822)
C24H18ClN3O6

>  <MolWeight> (822)
479.86922

>  <PCAT_CMPD_ID> (822)
WAY-635111

>  <CNC_ID> (822)
359390212

>  <transfer_container_id> (822)
PTN000000071

>  <COMPOUND_NUMBER> (822)
WAY-635111

>  <LOCATION_CODE> (822)
PTNCS

>  <AMOUNT_CURRENT> (822)
32.7

$$$$
WAY-636033
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
  7 11  1  0  0  0  0
  6 15  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (823)
823

>  <Formula> (823)
C16H24N2O2S

>  <MolWeight> (823)
308.43896

>  <PCAT_CMPD_ID> (823)
WAY-636033

>  <CNC_ID> (823)
359391133

>  <transfer_container_id> (823)
PTN000000071

>  <COMPOUND_NUMBER> (823)
WAY-636033

>  <LOCATION_CODE> (823)
PTNCS

>  <AMOUNT_CURRENT> (823)
32.8

$$$$
WAY-636272
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19 16  1  0  0  0  0
 20 13  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  2  0  0  0  0
  7  4  2  0  0  0  0
 22 18  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (824)
824

>  <Formula> (824)
C16H14N4S2

>  <MolWeight> (824)
326.43916

>  <PCAT_CMPD_ID> (824)
WAY-636272

>  <CNC_ID> (824)
359391372

>  <transfer_container_id> (824)
PTN000000071

>  <COMPOUND_NUMBER> (824)
WAY-636272

>  <LOCATION_CODE> (824)
PTNCS

>  <AMOUNT_CURRENT> (824)
32.6

$$$$
WAY-636457
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.0881    0.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 11  2  0  0  0  0
  7  6  1  0  0  0  0
 14 11  1  0  0  0  0
 13 10  1  0  0  0  0
 12 10  1  0  0  0  0
 11  9  1  0  0  0  0
  8 10  2  0  0  0  0
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  1  4  2  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (825)
825

>  <Formula> (825)
C9H13N5

>  <MolWeight> (825)
191.23302

>  <PCAT_CMPD_ID> (825)
WAY-636457

>  <CNC_ID> (825)
359391557

>  <transfer_container_id> (825)
PTN000000071

>  <COMPOUND_NUMBER> (825)
WAY-636457

>  <LOCATION_CODE> (825)
PTNCS

>  <AMOUNT_CURRENT> (825)
32.4

$$$$
WAY-655336
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
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 18  7  1  0  0  0  0
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 23 17  1  0  0  0  0
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  4  3  1  0  0  0  0
 14  9  2  0  0  0  0
 25 22  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (826)
826

>  <Formula> (826)
C21H17NO3

>  <MolWeight> (826)
331.36458

>  <PCAT_CMPD_ID> (826)
WAY-655336

>  <CNC_ID> (826)
359393576

>  <transfer_container_id> (826)
PTN000000071

>  <COMPOUND_NUMBER> (826)
WAY-655336

>  <LOCATION_CODE> (826)
PTNCS

>  <AMOUNT_CURRENT> (826)
32.4

$$$$
CL-224993
csChFnd80/10101909502D

 10 10  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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  2  6  1  0  0  0  0
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  5  9  1  0  0  0  0
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  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (827)
827

>  <Formula> (827)
C4H6N4OS

>  <MolWeight> (827)
158.18164

>  <PCAT_CMPD_ID> (827)
CL-224993

>  <CNC_ID> (827)
359394049

>  <transfer_container_id> (827)
PTN000000072

>  <COMPOUND_NUMBER> (827)
CL-224993

>  <LOCATION_CODE> (827)
PTNCS

>  <AMOUNT_CURRENT> (827)
32.3

$$$$
WAY-116136
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (828)
828

>  <Formula> (828)
C13H14N2O4S

>  <MolWeight> (828)
294.32626

>  <PCAT_CMPD_ID> (828)
WAY-116136

>  <CNC_ID> (828)
359394207

>  <transfer_container_id> (828)
PTN000000072

>  <COMPOUND_NUMBER> (828)
WAY-116136

>  <LOCATION_CODE> (828)
PTNCS

>  <AMOUNT_CURRENT> (828)
33

$$$$
WAY-604311
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (829)
829

>  <Formula> (829)
C21H20N4O2

>  <MolWeight> (829)
360.4091

>  <PCAT_CMPD_ID> (829)
WAY-604311

>  <CNC_ID> (829)
359402146

>  <transfer_container_id> (829)
PTN000000072

>  <COMPOUND_NUMBER> (829)
WAY-604311

>  <LOCATION_CODE> (829)
PTNCS

>  <AMOUNT_CURRENT> (829)
32.3

$$$$
WAY-604592
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (830)
830

>  <Formula> (830)
C18H15NO5S2

>  <MolWeight> (830)
389.4454

>  <PCAT_CMPD_ID> (830)
WAY-604592

>  <CNC_ID> (830)
359402427

>  <transfer_container_id> (830)
PTN000000072

>  <COMPOUND_NUMBER> (830)
WAY-604592

>  <LOCATION_CODE> (830)
PTNCS

>  <AMOUNT_CURRENT> (830)
32.7

$$$$
WAY-604593
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (831)
831

>  <Formula> (831)
C14H15N2O3P

>  <MolWeight> (831)
290.254261

>  <PCAT_CMPD_ID> (831)
WAY-604593

>  <CNC_ID> (831)
359402428

>  <transfer_container_id> (831)
PTN000000072

>  <COMPOUND_NUMBER> (831)
WAY-604593

>  <LOCATION_CODE> (831)
PTNCS

>  <AMOUNT_CURRENT> (831)
32.7

$$$$
WAY-604661
csChFnd80/10101909502D

 13 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (832)
832

>  <Formula> (832)
C10H8N2O

>  <MolWeight> (832)
172.18332

>  <PCAT_CMPD_ID> (832)
WAY-604661

>  <CNC_ID> (832)
359402496

>  <transfer_container_id> (832)
PTN000000072

>  <COMPOUND_NUMBER> (832)
WAY-604661

>  <LOCATION_CODE> (832)
PTNCS

>  <AMOUNT_CURRENT> (832)
32.6

$$$$
WAY-605813
csChFnd80/10101909502D

 35 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (833)
833

>  <Formula> (833)
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>  <MolWeight> (833)
485.5294032

>  <PCAT_CMPD_ID> (833)
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>  <CNC_ID> (833)
359403649

>  <transfer_container_id> (833)
PTN000000072

>  <COMPOUND_NUMBER> (833)
WAY-605813

>  <LOCATION_CODE> (833)
PTNCS

>  <AMOUNT_CURRENT> (833)
32.2

$$$$
WAY-637218
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 17 13  2  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (834)
834

>  <Formula> (834)
C17H13N3

>  <MolWeight> (834)
259.30522

>  <PCAT_CMPD_ID> (834)
WAY-637218

>  <CNC_ID> (834)
359404196

>  <transfer_container_id> (834)
PTN000000072

>  <COMPOUND_NUMBER> (834)
WAY-637218

>  <LOCATION_CODE> (834)
PTNCS

>  <AMOUNT_CURRENT> (834)
32.8

$$$$
WAY-637684
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (835)
835

>  <Formula> (835)
C14H14ClNO2

>  <MolWeight> (835)
263.71946

>  <PCAT_CMPD_ID> (835)
WAY-637684

>  <CNC_ID> (835)
359404663

>  <transfer_container_id> (835)
PTN000000072

>  <COMPOUND_NUMBER> (835)
WAY-637684

>  <LOCATION_CODE> (835)
PTNCS

>  <AMOUNT_CURRENT> (835)
32

$$$$
WAY-637515
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
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 16 12  1  0  0  0  0
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 12  7  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (836)
836

>  <Formula> (836)
C12H8N4O2

>  <MolWeight> (836)
240.21752

>  <PCAT_CMPD_ID> (836)
WAY-637515

>  <CNC_ID> (836)
359404493

>  <transfer_container_id> (836)
PTN000000072

>  <COMPOUND_NUMBER> (836)
WAY-637515

>  <LOCATION_CODE> (836)
PTNCS

>  <AMOUNT_CURRENT> (836)
32.5

$$$$
WAY-637859
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 14  7  2  0  0  0  0
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M  END
>  <Mol_ID> (837)
837

>  <Formula> (837)
C18H17F2NO4S

>  <MolWeight> (837)
381.3936864

>  <PCAT_CMPD_ID> (837)
WAY-637859

>  <CNC_ID> (837)
359404838

>  <transfer_container_id> (837)
PTN000000072

>  <COMPOUND_NUMBER> (837)
WAY-637859

>  <LOCATION_CODE> (837)
PTNCS

>  <AMOUNT_CURRENT> (837)
32.2

$$$$
WAY-637889
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (838)
838

>  <Formula> (838)
C17H11F3O4S

>  <MolWeight> (838)
368.3270496

>  <PCAT_CMPD_ID> (838)
WAY-637889

>  <CNC_ID> (838)
359404868

>  <transfer_container_id> (838)
PTN000000072

>  <COMPOUND_NUMBER> (838)
WAY-637889

>  <LOCATION_CODE> (838)
PTNCS

>  <AMOUNT_CURRENT> (838)
32.2

$$$$
WAY-638177-A
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  2  0  0  0  0
  9  4  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
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 10  7  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (839)
839

>  <Formula> (839)
C12H7BrN2S2

>  <MolWeight> (839)
323.23138

>  <PCAT_CMPD_ID> (839)
WAY-638177-A

>  <CNC_ID> (839)
359405155

>  <transfer_container_id> (839)
PTN000000072

>  <COMPOUND_NUMBER> (839)
WAY-638177-A

>  <LOCATION_CODE> (839)
PTNCS

>  <AMOUNT_CURRENT> (839)
33

$$$$
WAY-638352
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
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  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8 14  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14 21  1  0  0  0  0
 15 20  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  2  0  0  0  0
 20  9  1  0  0  0  0
 21  9  1  0  0  0  0
 22 24  2  0  0  0  0
 23 18  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
  2  3  1  0  0  0  0
  8 15  1  0  0  0  0
 16 17  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (840)
840

>  <Formula> (840)
C17H19N5OS2

>  <MolWeight> (840)
373.49566

>  <PCAT_CMPD_ID> (840)
WAY-638352

>  <CNC_ID> (840)
359405330

>  <transfer_container_id> (840)
PTN000000072

>  <COMPOUND_NUMBER> (840)
WAY-638352

>  <LOCATION_CODE> (840)
PTNCS

>  <AMOUNT_CURRENT> (840)
32.6

$$$$
WAY-657137
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3042    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  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  4  1  0  0  0  0
  8 12  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  3  1  0  0  0  0
 12  9  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
 16  8  1  0  0  0  0
 17 13  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
  3  5  1  0  0  0  0
 13  8  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (841)
841

>  <Formula> (841)
C18H15NO2S

>  <MolWeight> (841)
309.3822

>  <PCAT_CMPD_ID> (841)
WAY-657137

>  <CNC_ID> (841)
359406851

>  <transfer_container_id> (841)
PTN000000072

>  <COMPOUND_NUMBER> (841)
WAY-657137

>  <LOCATION_CODE> (841)
PTNCS

>  <AMOUNT_CURRENT> (841)
32.1

$$$$
WAY-606555
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18  4  1  0  0  0  0
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 20  5  1  0  0  0  0
 21  9  1  0  0  0  0
 22 13  1  0  0  0  0
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 24 23  1  0  0  0  0
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 10 17  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (842)
842

>  <Formula> (842)
C17H16N4O2S

>  <MolWeight> (842)
340.39954

>  <PCAT_CMPD_ID> (842)
WAY-606555

>  <CNC_ID> (842)
359414976

>  <transfer_container_id> (842)
PTN000000073

>  <COMPOUND_NUMBER> (842)
WAY-606555

>  <LOCATION_CODE> (842)
PTNCS

>  <AMOUNT_CURRENT> (842)
32.4

$$$$
WAY-607150
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 11 12  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (843)
843

>  <Formula> (843)
C12H10N4O

>  <MolWeight> (843)
226.234

>  <PCAT_CMPD_ID> (843)
WAY-607150

>  <CNC_ID> (843)
359415571

>  <transfer_container_id> (843)
PTN000000073

>  <COMPOUND_NUMBER> (843)
WAY-607150

>  <LOCATION_CODE> (843)
PTNCS

>  <AMOUNT_CURRENT> (843)
33

$$$$
WAY-620503
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 14  1  2  0  0  0  0
 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
 17  5  2  0  0  0  0
 18 12  2  0  0  0  0
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 20 27  1  0  0  0  0
 21  2  1  0  0  0  0
 22  2  1  0  0  0  0
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 29 24  1  0  0  0  0
 30 28  1  0  0  0  0
 26 20  1  0  0  0  0
  3  8  2  0  0  0  0
 29 30  1  0  0  0  0
 23 12  1  0  0  0  0
M  END
>  <Mol_ID> (844)
844

>  <Formula> (844)
C20H28N4O5S

>  <MolWeight> (844)
436.52512

>  <PCAT_CMPD_ID> (844)
WAY-620503

>  <CNC_ID> (844)
359416901

>  <transfer_container_id> (844)
PTN000000073

>  <COMPOUND_NUMBER> (844)
WAY-620503

>  <LOCATION_CODE> (844)
PTNCS

>  <AMOUNT_CURRENT> (844)
32.1

$$$$
WAY-639448
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  2  1  0  0  0  0
 15  5  1  0  0  0  0
 16  4  1  0  0  0  0
 17 10  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
 21 22  1  0  0  0  0
 22 13  2  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
  4  5  1  0  0  0  0
 21 16  2  0  0  0  0
 24 15  2  0  0  0  0
M  END
>  <Mol_ID> (845)
845

>  <Formula> (845)
C20H24N2O2

>  <MolWeight> (845)
324.41676

>  <PCAT_CMPD_ID> (845)
WAY-639448

>  <CNC_ID> (845)
359417904

>  <transfer_container_id> (845)
PTN000000073

>  <COMPOUND_NUMBER> (845)
WAY-639448

>  <LOCATION_CODE> (845)
PTNCS

>  <AMOUNT_CURRENT> (845)
32.6

$$$$
WAY-621607
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.5542   -0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
  2  4  1  0  0  0  0
  7  9  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (846)
846

>  <Formula> (846)
C10H7NO4

>  <MolWeight> (846)
205.16688

>  <PCAT_CMPD_ID> (846)
WAY-621607

>  <CNC_ID> (846)
359428880

>  <transfer_container_id> (846)
PTN000000074

>  <COMPOUND_NUMBER> (846)
WAY-621607

>  <LOCATION_CODE> (846)
PTNCS

>  <AMOUNT_CURRENT> (846)
32.3

$$$$
WAY-639814
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11 12  2  0  0  0  0
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 13  9  2  0  0  0  0
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 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
  5  4  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (847)
847

>  <Formula> (847)
C12H10FNO3

>  <MolWeight> (847)
235.2111032

>  <PCAT_CMPD_ID> (847)
WAY-639814

>  <CNC_ID> (847)
359429865

>  <transfer_container_id> (847)
PTN000000074

>  <COMPOUND_NUMBER> (847)
WAY-639814

>  <LOCATION_CODE> (847)
PTNCS

>  <AMOUNT_CURRENT> (847)
32.2

$$$$
WAY-660312
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
 15 10  2  0  0  0  0
 16  9  2  0  0  0  0
 17 11  2  0  0  0  0
 18  4  1  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
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 14  7  1  0  0  0  0
 27 21  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (848)
848

>  <Formula> (848)
C19H20N4O4

>  <MolWeight> (848)
368.3865

>  <PCAT_CMPD_ID> (848)
WAY-660312

>  <CNC_ID> (848)
359431550

>  <transfer_container_id> (848)
PTN000000074

>  <COMPOUND_NUMBER> (848)
WAY-660312

>  <LOCATION_CODE> (848)
PTNCS

>  <AMOUNT_CURRENT> (848)
32.6

$$$$
WAY-660475
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
 15  3  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  2  0  0  0  0
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  8  5  2  0  0  0  0
 21 16  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (849)
849

>  <Formula> (849)
C20H23NO3

>  <MolWeight> (849)
325.40152

>  <PCAT_CMPD_ID> (849)
WAY-660475

>  <CNC_ID> (849)
359431714

>  <transfer_container_id> (849)
PTN000000074

>  <COMPOUND_NUMBER> (849)
WAY-660475

>  <LOCATION_CODE> (849)
PTNCS

>  <AMOUNT_CURRENT> (849)
32.7

$$$$
WAY-660676
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  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 16  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 13  6  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20  2  1  0  0  0  0
 21 10  1  0  0  0  0
 20 21  1  0  0  0  0
  8 14  2  0  0  0  0
  9 17  2  0  0  0  0
M  END
>  <Mol_ID> (850)
850

>  <Formula> (850)
C17H16FNO2

>  <MolWeight> (850)
285.3128432

>  <PCAT_CMPD_ID> (850)
WAY-660676

>  <CNC_ID> (850)
359431915

>  <transfer_container_id> (850)
PTN000000074

>  <COMPOUND_NUMBER> (850)
WAY-660676

>  <LOCATION_CODE> (850)
PTNCS

>  <AMOUNT_CURRENT> (850)
32.5

$$$$
WAY-660838
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  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  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12 15  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16  9  1  0  0  0  0
 17 20  1  0  0  0  0
 18  8  2  0  0  0  0
 19 13  1  0  0  0  0
 20 21  2  0  0  0  0
 21 14  1  0  0  0  0
 22 12  1  0  0  0  0
 23 17  1  0  0  0  0
  5  2  1  0  0  0  0
 16 19  2  0  0  0  0
 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (851)
851

>  <Formula> (851)
C15H15N5O2S

>  <MolWeight> (851)
329.3769

>  <PCAT_CMPD_ID> (851)
WAY-660838

>  <CNC_ID> (851)
359432077

>  <transfer_container_id> (851)
PTN000000074

>  <COMPOUND_NUMBER> (851)
WAY-660838

>  <LOCATION_CODE> (851)
PTNCS

>  <AMOUNT_CURRENT> (851)
32.1

$$$$
WAY-660855
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0833    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  8  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 13  1  0  0  0  0
 10 11  2  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (852)
852

>  <Formula> (852)
C14H16N2O

>  <MolWeight> (852)
228.28964

>  <PCAT_CMPD_ID> (852)
WAY-660855

>  <CNC_ID> (852)
359432094

>  <transfer_container_id> (852)
PTN000000074

>  <COMPOUND_NUMBER> (852)
WAY-660855

>  <LOCATION_CODE> (852)
PTNCS

>  <AMOUNT_CURRENT> (852)
32.9

$$$$
WAY-660859
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.8958   -0.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7 11  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  1  0  0  0  0
 11 16  2  0  0  0  0
 12 10  2  0  0  0  0
 13  2  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
 16 21  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19  7  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 21  2  0  0  0  0
 12  9  1  0  0  0  0
  6  3  2  0  0  0  0
 22 11  1  0  0  0  0
M  END
>  <Mol_ID> (853)
853

>  <Formula> (853)
C15H9F3N2O3S

>  <MolWeight> (853)
354.3037696

>  <PCAT_CMPD_ID> (853)
WAY-660859

>  <CNC_ID> (853)
359432098

>  <transfer_container_id> (853)
PTN000000074

>  <COMPOUND_NUMBER> (853)
WAY-660859

>  <LOCATION_CODE> (853)
PTNCS

>  <AMOUNT_CURRENT> (853)
32.9

$$$$
WAY-661132
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
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 10  5  1  0  0  0  0
 11 17  1  0  0  0  0
 12  3  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18  4  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 24  2  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  9  1  0  0  0  0
 27 21  1  0  0  0  0
  6  5  1  0  0  0  0
  9  8  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (854)
854

>  <Formula> (854)
C19H19N3O4S

>  <MolWeight> (854)
385.43686

>  <PCAT_CMPD_ID> (854)
WAY-661132

>  <CNC_ID> (854)
359432371

>  <transfer_container_id> (854)
PTN000000074

>  <COMPOUND_NUMBER> (854)
WAY-661132

>  <LOCATION_CODE> (854)
PTNCS

>  <AMOUNT_CURRENT> (854)
32.4

$$$$
WAY-661805
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.3292    0.4958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  4  1  0  0  0  0
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 10  1  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
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 15 16  1  0  0  0  0
  6  4  1  0  0  0  0
M  END
>  <Mol_ID> (855)
855

>  <Formula> (855)
C9H12N2O4S

>  <MolWeight> (855)
244.26758

>  <PCAT_CMPD_ID> (855)
WAY-661805

>  <CNC_ID> (855)
359433042

>  <transfer_container_id> (855)
PTN000000074

>  <COMPOUND_NUMBER> (855)
WAY-661805

>  <LOCATION_CODE> (855)
PTNCS

>  <AMOUNT_CURRENT> (855)
32.6

$$$$
WAY-297507
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.1517   -0.5862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  6 10  2  0  0  0  0
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 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (856)
856

>  <Formula> (856)
C17H23NO2

>  <MolWeight> (856)
273.37002

>  <PCAT_CMPD_ID> (856)
WAY-297507

>  <CNC_ID> (856)
359343951

>  <transfer_container_id> (856)
PTN000000068

>  <COMPOUND_NUMBER> (856)
WAY-297507

>  <LOCATION_CODE> (856)
PTNCS

>  <AMOUNT_CURRENT> (856)
33.4

$$$$
WAY-297637
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.0562   -0.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  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
  9 10  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (857)
857

>  <Formula> (857)
C16H13N3O2

>  <MolWeight> (857)
279.29332

>  <PCAT_CMPD_ID> (857)
WAY-297637

>  <CNC_ID> (857)
359344081

>  <transfer_container_id> (857)
PTN000000068

>  <COMPOUND_NUMBER> (857)
WAY-297637

>  <LOCATION_CODE> (857)
PTNCS

>  <AMOUNT_CURRENT> (857)
33.4

$$$$
WAY-297852
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.3746   -0.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  5  8  1  0  0  0  0
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  6 10  2  0  0  0  0
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 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
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  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C10H11NO2S

>  <MolWeight> (858)
209.26484

>  <PCAT_CMPD_ID> (858)
WAY-297852

>  <CNC_ID> (858)
359344296

>  <transfer_container_id> (858)
PTN000000068

>  <COMPOUND_NUMBER> (858)
WAY-297852

>  <LOCATION_CODE> (858)
PTNCS

>  <AMOUNT_CURRENT> (858)
33.4

$$$$
WAY-297911
csChFnd80/10101909502D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 30 34  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 24 26  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (859)
859

>  <Formula> (859)
C26H22ClN3O4

>  <MolWeight> (859)
475.92358

>  <PCAT_CMPD_ID> (859)
WAY-297911

>  <CNC_ID> (859)
359344355

>  <transfer_container_id> (859)
PTN000000068

>  <COMPOUND_NUMBER> (859)
WAY-297911

>  <LOCATION_CODE> (859)
PTNCS

>  <AMOUNT_CURRENT> (859)
33.4

$$$$
WAY-297948
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.3690    0.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (860)
860

>  <Formula> (860)
C11H13N3O

>  <MolWeight> (860)
203.24042

>  <PCAT_CMPD_ID> (860)
WAY-297948

>  <CNC_ID> (860)
359344392

>  <transfer_container_id> (860)
PTN000000068

>  <COMPOUND_NUMBER> (860)
WAY-297948

>  <LOCATION_CODE> (860)
PTNCS

>  <AMOUNT_CURRENT> (860)
33.3

$$$$
WAY-297990
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (861)
861

>  <Formula> (861)
C17H16N4O2S

>  <MolWeight> (861)
340.39954

>  <PCAT_CMPD_ID> (861)
WAY-297990

>  <CNC_ID> (861)
359344434

>  <transfer_container_id> (861)
PTN000000068

>  <COMPOUND_NUMBER> (861)
WAY-297990

>  <LOCATION_CODE> (861)
PTNCS

>  <AMOUNT_CURRENT> (861)
33.1

$$$$
CL-807326
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.7345   -0.2653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (862)
862

>  <Formula> (862)
C10H8ClNOS2

>  <MolWeight> (862)
257.75962

>  <PCAT_CMPD_ID> (862)
CL-807326

>  <CNC_ID> (862)
359353822

>  <transfer_container_id> (862)
PTN000000069

>  <COMPOUND_NUMBER> (862)
CL-807326

>  <LOCATION_CODE> (862)
PTNCS

>  <AMOUNT_CURRENT> (862)
33.1

$$$$
GI-558728
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (863)
863

>  <Formula> (863)
C16H16N2O3

>  <MolWeight> (863)
284.30984

>  <PCAT_CMPD_ID> (863)
GI-558728

>  <CNC_ID> (863)
359353849

>  <transfer_container_id> (863)
PTN000000069

>  <COMPOUND_NUMBER> (863)
GI-558728

>  <LOCATION_CODE> (863)
PTNCS

>  <AMOUNT_CURRENT> (863)
33.3

$$$$
WAY-252352
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -3.0655    0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 13 15  1  0  0  0  0
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 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  2  0  0  0  0
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 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 15 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (864)
864

>  <Formula> (864)
C19H21N3O3

>  <MolWeight> (864)
339.38834

>  <PCAT_CMPD_ID> (864)
WAY-252352

>  <CNC_ID> (864)
359354234

>  <transfer_container_id> (864)
PTN000000069

>  <COMPOUND_NUMBER> (864)
WAY-252352

>  <LOCATION_CODE> (864)
PTNCS

>  <AMOUNT_CURRENT> (864)
33.1

$$$$
WAY-118435
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.2040  -11.3600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
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 22 16  1  0  0  0  0
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 11 13  1  0  0  0  0
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  6  3  1  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (865)
865

>  <Formula> (865)
C18H23NO6

>  <MolWeight> (865)
349.37832

>  <PCAT_CMPD_ID> (865)
WAY-118435

>  <CNC_ID> (865)
359353947

>  <transfer_container_id> (865)
PTN000000069

>  <COMPOUND_NUMBER> (865)
WAY-118435

>  <LOCATION_CODE> (865)
PTNCS

>  <AMOUNT_CURRENT> (865)
33.1

$$$$
WAY-223479
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (866)
866

>  <Formula> (866)
C20H17NO2S

>  <MolWeight> (866)
335.41948

>  <PCAT_CMPD_ID> (866)
WAY-223479

>  <CNC_ID> (866)
359354046

>  <transfer_container_id> (866)
PTN000000069

>  <COMPOUND_NUMBER> (866)
WAY-223479

>  <LOCATION_CODE> (866)
PTNCS

>  <AMOUNT_CURRENT> (866)
33.4

$$$$
WAY-225083
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
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 10 13  1  0  0  0  0
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 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  8  2  0  0  0  0
  9 11  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (867)
867

>  <Formula> (867)
C15H19N3O2

>  <MolWeight> (867)
273.33026

>  <PCAT_CMPD_ID> (867)
WAY-225083

>  <CNC_ID> (867)
359354056

>  <transfer_container_id> (867)
PTN000000069

>  <COMPOUND_NUMBER> (867)
WAY-225083

>  <LOCATION_CODE> (867)
PTNCS

>  <AMOUNT_CURRENT> (867)
33.4

$$$$
WAY-298347
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 11 15  1  0  0  0  0
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 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
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  9 12  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (868)
868

>  <Formula> (868)
C18H23N3O3

>  <MolWeight> (868)
329.39352

>  <PCAT_CMPD_ID> (868)
WAY-298347

>  <CNC_ID> (868)
359357341

>  <transfer_container_id> (868)
PTN000000069

>  <COMPOUND_NUMBER> (868)
WAY-298347

>  <LOCATION_CODE> (868)
PTNCS

>  <AMOUNT_CURRENT> (868)
33.3

$$$$
WAY-298383
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (869)
869

>  <Formula> (869)
C14H18N2O

>  <MolWeight> (869)
230.30552

>  <PCAT_CMPD_ID> (869)
WAY-298383

>  <CNC_ID> (869)
359357377

>  <transfer_container_id> (869)
PTN000000069

>  <COMPOUND_NUMBER> (869)
WAY-298383

>  <LOCATION_CODE> (869)
PTNCS

>  <AMOUNT_CURRENT> (869)
30.2

$$$$
WAY-299678
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (870)
870

>  <Formula> (870)
C11H11N3O3S

>  <MolWeight> (870)
265.28834

>  <PCAT_CMPD_ID> (870)
WAY-299678

>  <CNC_ID> (870)
359370355

>  <transfer_container_id> (870)
PTN000000070

>  <COMPOUND_NUMBER> (870)
WAY-299678

>  <LOCATION_CODE> (870)
PTNCS

>  <AMOUNT_CURRENT> (870)
33.3

$$$$
WAY-388485
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  7  2  0  0  0  0
 13  5  1  0  0  0  0
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 20  4  1  0  0  0  0
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  5  8  2  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (871)
871

>  <Formula> (871)
C15H15BrN2O3

>  <MolWeight> (871)
351.1952

>  <PCAT_CMPD_ID> (871)
WAY-388485

>  <CNC_ID> (871)
359372623

>  <transfer_container_id> (871)
PTN000000070

>  <COMPOUND_NUMBER> (871)
WAY-388485

>  <LOCATION_CODE> (871)
PTNCS

>  <AMOUNT_CURRENT> (871)
32.6

$$$$
WAY-388523
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    1.0125    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333   -2.6542    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4125   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4125   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.5000    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  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 19  2  0  0  0  0
 22 20  2  0  0  0  0
  9 10  2  0  0  0  0
 16 17  1  0  0  0  0
 12 11  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (872)
872

>  <Formula> (872)
C16H9FN2O2S

>  <MolWeight> (872)
312.3182632

>  <PCAT_CMPD_ID> (872)
WAY-388523

>  <CNC_ID> (872)
359372661

>  <transfer_container_id> (872)
PTN000000070

>  <COMPOUND_NUMBER> (872)
WAY-388523

>  <LOCATION_CODE> (872)
PTNCS

>  <AMOUNT_CURRENT> (872)
32.2

$$$$
WAY-388558
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.3417   -3.5042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7667   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0917   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5042   -9.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500   -9.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6167   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3750   -8.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9667   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3750   -8.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3792  -11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042  -12.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2500  -12.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12  3  1  0  0  0  0
 13 16  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16 12  1  0  0  0  0
 17  6  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 13  2  0  0  0  0
 22 25  1  0  0  0  0
 23  7  1  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 29  1  0  0  0  0
 28 19  1  0  0  0  0
 29 20  2  0  0  0  0
 30 20  1  0  0  0  0
 31 19  1  0  0  0  0
 32 30  1  0  0  0  0
 26 22  1  0  0  0  0
  9  4  2  0  0  0  0
  2  5  2  0  0  0  0
 28 27  2  0  0  0  0
M  END
>  <Mol_ID> (873)
873

>  <Formula> (873)
C21H25N5O5S

>  <MolWeight> (873)
459.5187

>  <PCAT_CMPD_ID> (873)
WAY-388558

>  <CNC_ID> (873)
359372696

>  <transfer_container_id> (873)
PTN000000070

>  <COMPOUND_NUMBER> (873)
WAY-388558

>  <LOCATION_CODE> (873)
PTNCS

>  <AMOUNT_CURRENT> (873)
32.2

$$$$
WAY-389121
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
   11.6750  -11.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0000  -11.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -6.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0792   -8.7292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1042   -4.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8625   -3.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125   -6.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   -6.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6250   -4.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9750  -10.0125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3875  -12.0292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625  -12.7875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0500   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2542   -9.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2375  -12.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.3167    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  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9  6  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  1  1  0  0  0  0
 14  1  1  0  0  0  0
 15  1  1  0  0  0  0
 16 17  1  0  0  0  0
 17  4  1  0  0  0  0
 18  2  1  0  0  0  0
 19  3  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 21 19  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (874)
874

>  <Formula> (874)
C13H14F3N3O2

>  <MolWeight> (874)
301.2643696

>  <PCAT_CMPD_ID> (874)
WAY-389121

>  <CNC_ID> (874)
359373253

>  <transfer_container_id> (874)
PTN000000070

>  <COMPOUND_NUMBER> (874)
WAY-389121

>  <LOCATION_CODE> (874)
PTNCS

>  <AMOUNT_CURRENT> (874)
32.7

$$$$
WAY-389227
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.3042   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -5.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5750   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3625   -8.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000   -8.8792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -3.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -7.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1917   -7.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4542   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4667   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -6.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -5.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -2.3042    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  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  2  0  0  0  0
 14  3  1  0  0  0  0
 15  4  1  0  0  0  0
 16  5  2  0  0  0  0
 17 14  2  0  0  0  0
 18 16  1  0  0  0  0
 19 23  1  0  0  0  0
 20  6  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 15  2  0  0  0  0
 21 12  1  0  0  0  0
 22 11  2  0  0  0  0
  8 19  2  0  0  0  0
M  END
>  <Mol_ID> (875)
875

>  <Formula> (875)
C18H15N3O2

>  <MolWeight> (875)
305.3306

>  <PCAT_CMPD_ID> (875)
WAY-389227

>  <CNC_ID> (875)
359373352

>  <transfer_container_id> (875)
PTN000000070

>  <COMPOUND_NUMBER> (875)
WAY-389227

>  <LOCATION_CODE> (875)
PTNCS

>  <AMOUNT_CURRENT> (875)
32.5

$$$$
WAY-391697
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.8971   -0.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6695   -1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8971    0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1177   -1.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5512   -0.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6695   -2.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6764    1.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1108    1.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1177   -2.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8971   -3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  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
  9 12  2  0  0  0  0
 14 16  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (876)
876

>  <Formula> (876)
C16H12N2OS

>  <MolWeight> (876)
280.34428

>  <PCAT_CMPD_ID> (876)
WAY-391697

>  <CNC_ID> (876)
359387012

>  <transfer_container_id> (876)
PTN000000071

>  <COMPOUND_NUMBER> (876)
WAY-391697

>  <LOCATION_CODE> (876)
PTNCS

>  <AMOUNT_CURRENT> (876)
32.7

$$$$
WAY-225578
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.5360    2.8155    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5360    4.2205    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2031    4.6611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745    2.3943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2031    2.3943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745    4.6611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6837    3.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3930    3.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0748    3.5360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3151    5.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7625    1.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6908    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
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  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  2  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
  8  3  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
>  <Mol_ID> (877)
877

>  <Formula> (877)
C8H14N4O2

>  <MolWeight> (877)
198.22236

>  <PCAT_CMPD_ID> (877)
WAY-225578

>  <CNC_ID> (877)
359407977

>  <transfer_container_id> (877)
PTN000000073

>  <COMPOUND_NUMBER> (877)
WAY-225578

>  <LOCATION_CODE> (877)
PTNCS

>  <AMOUNT_CURRENT> (877)
33.6

$$$$
WAY-225659
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19  2  1  0  0  0  0
 20 17  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 18  1  0  0  0  0
 25 18  1  0  0  0  0
  7 10  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
>  <Mol_ID> (878)
878

>  <Formula> (878)
C16H23N5O4

>  <MolWeight> (878)
349.38492

>  <PCAT_CMPD_ID> (878)
WAY-225659

>  <CNC_ID> (878)
359407978

>  <transfer_container_id> (878)
PTN000000073

>  <COMPOUND_NUMBER> (878)
WAY-225659

>  <LOCATION_CODE> (878)
PTNCS

>  <AMOUNT_CURRENT> (878)
33.8

$$$$
WAY-307215
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.2350    0.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (879)
879

>  <Formula> (879)
C14H12F3NO

>  <MolWeight> (879)
267.2463896

>  <PCAT_CMPD_ID> (879)
WAY-307215

>  <CNC_ID> (879)
359409714

>  <transfer_container_id> (879)
PTN000000073

>  <COMPOUND_NUMBER> (879)
WAY-307215

>  <LOCATION_CODE> (879)
PTNCS

>  <AMOUNT_CURRENT> (879)
33.9

$$$$
WAY-307687
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
    5.5167   -5.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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  3  6  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (880)
880

>  <Formula> (880)
C11H10N4O2S

>  <MolWeight> (880)
262.2877

>  <PCAT_CMPD_ID> (880)
WAY-307687

>  <CNC_ID> (880)
359420542

>  <transfer_container_id> (880)
PTN000000074

>  <COMPOUND_NUMBER> (880)
WAY-307687

>  <LOCATION_CODE> (880)
PTNCS

>  <AMOUNT_CURRENT> (880)
33.1

$$$$
WAY-307689-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  5  7  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (881)
881

>  <Formula> (881)
C13H22N2OS

>  <MolWeight> (881)
254.39158

>  <PCAT_CMPD_ID> (881)
WAY-307689-A

>  <CNC_ID> (881)
359420544

>  <transfer_container_id> (881)
PTN000000074

>  <COMPOUND_NUMBER> (881)
WAY-307689-A

>  <LOCATION_CODE> (881)
PTNCS

>  <AMOUNT_CURRENT> (881)
33.1

$$$$
WAY-312840
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10 18  1  0  0  0  0
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 13 21  1  0  0  0  0
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 27 28  1  0  0  0  0
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 12 18  2  0  0  0  0
 20 22  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (882)
882

>  <Formula> (882)
C23H21N3OS

>  <MolWeight> (882)
387.49734

>  <PCAT_CMPD_ID> (882)
WAY-312840

>  <CNC_ID> (882)
359327877

>  <transfer_container_id> (882)
PTN000000067

>  <COMPOUND_NUMBER> (882)
WAY-312840

>  <LOCATION_CODE> (882)
PTNCS

>  <AMOUNT_CURRENT> (882)
33.4

$$$$
WAY-117109
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 13  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (883)
883

>  <Formula> (883)
C19H17NO4

>  <MolWeight> (883)
323.34258

>  <PCAT_CMPD_ID> (883)
WAY-117109

>  <CNC_ID> (883)
359326824

>  <transfer_container_id> (883)
PTN000000067

>  <COMPOUND_NUMBER> (883)
WAY-117109

>  <LOCATION_CODE> (883)
PTNCS

>  <AMOUNT_CURRENT> (883)
33.6

$$$$
WAY-239742
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
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 21 22  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (884)
884

>  <Formula> (884)
C15H22N2O4S

>  <MolWeight> (884)
326.41118

>  <PCAT_CMPD_ID> (884)
WAY-239742

>  <CNC_ID> (884)
359326914

>  <transfer_container_id> (884)
PTN000000067

>  <COMPOUND_NUMBER> (884)
WAY-239742

>  <LOCATION_CODE> (884)
PTNCS

>  <AMOUNT_CURRENT> (884)
33.4

$$$$
WAY-313159
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.4892   -0.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
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 18 13  2  0  0  0  0
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  5  4  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (885)
885

>  <Formula> (885)
C14H17NO3S

>  <MolWeight> (885)
279.35468

>  <PCAT_CMPD_ID> (885)
WAY-313159

>  <CNC_ID> (885)
359328195

>  <transfer_container_id> (885)
PTN000000067

>  <COMPOUND_NUMBER> (885)
WAY-313159

>  <LOCATION_CODE> (885)
PTNCS

>  <AMOUNT_CURRENT> (885)
33.6

$$$$
WAY-314179
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (886)
886

>  <Formula> (886)
C14H12N4O

>  <MolWeight> (886)
252.27128

>  <PCAT_CMPD_ID> (886)
WAY-314179

>  <CNC_ID> (886)
359329215

>  <transfer_container_id> (886)
PTN000000067

>  <COMPOUND_NUMBER> (886)
WAY-314179

>  <LOCATION_CODE> (886)
PTNCS

>  <AMOUNT_CURRENT> (886)
33

$$$$
CL-183547
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 15  1  0  0  0  0
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 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (887)
887

>  <Formula> (887)
C12H12N2OS

>  <MolWeight> (887)
232.30148

>  <PCAT_CMPD_ID> (887)
CL-183547

>  <CNC_ID> (887)
359339838

>  <transfer_container_id> (887)
PTN000000068

>  <COMPOUND_NUMBER> (887)
CL-183547

>  <LOCATION_CODE> (887)
PTNCS

>  <AMOUNT_CURRENT> (887)
33.3

$$$$
CL-407162
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (888)
888

>  <Formula> (888)
C15H16N4O

>  <MolWeight> (888)
268.31374

>  <PCAT_CMPD_ID> (888)
CL-407162

>  <CNC_ID> (888)
359339896

>  <transfer_container_id> (888)
PTN000000068

>  <COMPOUND_NUMBER> (888)
CL-407162

>  <LOCATION_CODE> (888)
PTNCS

>  <AMOUNT_CURRENT> (888)
33.1

$$$$
CL-408149
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (889)
889

>  <Formula> (889)
C9H16N2O

>  <MolWeight> (889)
168.23614

>  <PCAT_CMPD_ID> (889)
CL-408149

>  <CNC_ID> (889)
359339897

>  <transfer_container_id> (889)
PTN000000068

>  <COMPOUND_NUMBER> (889)
CL-408149

>  <LOCATION_CODE> (889)
PTNCS

>  <AMOUNT_CURRENT> (889)
33.5

$$$$
CL-57745
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.1711   -0.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849   -1.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1711    0.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539   -1.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013   -0.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
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  6 10  2  0  0  0  0
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 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
  7 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (890)
890

>  <Formula> (890)
C13H12N2O

>  <MolWeight> (890)
212.24718

>  <PCAT_CMPD_ID> (890)
CL-57745

>  <CNC_ID> (890)
359339968

>  <transfer_container_id> (890)
PTN000000068

>  <COMPOUND_NUMBER> (890)
CL-57745

>  <LOCATION_CODE> (890)
PTNCS

>  <AMOUNT_CURRENT> (890)
33

$$$$
CL-58902
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0830    0.3490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3864   -0.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2136   -0.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5136    0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2170   -1.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2067    2.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6830   -2.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5136    1.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8205   -0.3924    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9899   -1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8136    2.6110    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  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (891)
891

>  <Formula> (891)
C10H8ClN3O

>  <MolWeight> (891)
221.64302

>  <PCAT_CMPD_ID> (891)
CL-58902

>  <CNC_ID> (891)
359339969

>  <transfer_container_id> (891)
PTN000000068

>  <COMPOUND_NUMBER> (891)
CL-58902

>  <LOCATION_CODE> (891)
PTNCS

>  <AMOUNT_CURRENT> (891)
33.5

$$$$
SD-97276
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9906    1.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3319    0.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  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  2  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 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  1  0  0  0  0
 10 12  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (892)
892

>  <Formula> (892)
C18H17NO3

>  <MolWeight> (892)
295.33248

>  <PCAT_CMPD_ID> (892)
SD-97276

>  <CNC_ID> (892)
359340008

>  <transfer_container_id> (892)
PTN000000068

>  <COMPOUND_NUMBER> (892)
SD-97276

>  <LOCATION_CODE> (892)
PTNCS

>  <AMOUNT_CURRENT> (892)
33.2

$$$$
WAY-114593
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2011    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4484    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7403    6.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9544    5.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1619    6.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1619    3.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3762    5.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  1  0  0  0  0
 13  1  1  0  0  0  0
 14  1  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  1  0  0  0  0
 17  4  2  0  0  0  0
 18  3  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21  7  1  0  0  0  0
 22  7  1  0  0  0  0
 23 11  2  0  0  0  0
 24  4  1  0  0  0  0
 25 17  1  0  0  0  0
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 27 25  1  0  0  0  0
 28 24  2  0  0  0  0
 29 28  1  0  0  0  0
  9  8  2  0  0  0  0
 15 16  1  0  0  0  0
  6 20  1  0  0  0  0
 29 26  2  0  0  0  0
M  END
>  <Mol_ID> (893)
893

>  <Formula> (893)
C21H24N4O4

>  <MolWeight> (893)
396.43966

>  <PCAT_CMPD_ID> (893)
WAY-114593

>  <CNC_ID> (893)
359340036

>  <transfer_container_id> (893)
PTN000000068

>  <COMPOUND_NUMBER> (893)
WAY-114593

>  <LOCATION_CODE> (893)
PTNCS

>  <AMOUNT_CURRENT> (893)
33

$$$$
WAY-116696
csChFnd80/10101909502D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
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  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
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 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
  4  3  1  0  0  0  0
M  END
>  <Mol_ID> (894)
894

>  <Formula> (894)
C9H14N2O2S2

>  <MolWeight> (894)
246.34966

>  <PCAT_CMPD_ID> (894)
WAY-116696

>  <CNC_ID> (894)
359340061

>  <transfer_container_id> (894)
PTN000000068

>  <COMPOUND_NUMBER> (894)
WAY-116696

>  <LOCATION_CODE> (894)
PTNCS

>  <AMOUNT_CURRENT> (894)
33.5

$$$$
WAY-217420
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    6.9420    7.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785   11.8515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2540    4.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1690    4.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1690   11.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1690   16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0475    2.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6985    2.3490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0950   14.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0950   12.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  2  0  0  0  0
  3  2  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  1  0  0  0  0
 14  4  2  0  0  0  0
 15  3  2  0  0  0  0
 16  7  1  0  0  0  0
 17  6  2  0  0  0  0
 18  9  2  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  2  0  0  0  0
 24 19  2  0  0  0  0
 12 11  2  0  0  0  0
 23 24  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (895)
895

>  <Formula> (895)
C15H11N5O4

>  <MolWeight> (895)
325.27894

>  <PCAT_CMPD_ID> (895)
WAY-217420

>  <CNC_ID> (895)
359340134

>  <transfer_container_id> (895)
PTN000000068

>  <COMPOUND_NUMBER> (895)
WAY-217420

>  <LOCATION_CODE> (895)
PTNCS

>  <AMOUNT_CURRENT> (895)
33.1

$$$$
WAY-223823
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.4713    0.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299    0.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4713   -1.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7161    0.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0045    0.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299    2.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299   -1.9873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7161   -1.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9541    0.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0045   -1.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1218    1.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4713    3.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0045    3.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9541   -1.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1218   -2.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5218    0.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5218   -1.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1425   -0.5528    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
  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  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7 10  2  0  0  0  0
  9 14  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (896)
896

>  <Formula> (896)
C15H15NO2

>  <MolWeight> (896)
241.2851

>  <PCAT_CMPD_ID> (896)
WAY-223823

>  <CNC_ID> (896)
359340163

>  <transfer_container_id> (896)
PTN000000068

>  <COMPOUND_NUMBER> (896)
WAY-223823

>  <LOCATION_CODE> (896)
PTNCS

>  <AMOUNT_CURRENT> (896)
33.2

$$$$
WAY-225120
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.8209    2.7883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8109    2.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8209    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8770    2.7883    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8770    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1013    2.1264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1013    0.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103    2.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5205    2.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3197    2.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8109    0.7615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103    4.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7390    2.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9649    0.0996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5205    0.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9632    2.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9632    0.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764    2.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6103    0.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657    0.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764    0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657    2.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.4193    0.0996    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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 20  1  0  0  0  0
 24  7  1  0  0  0  0
  4  5  1  0  0  0  0
 22 20  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (897)
897

>  <Formula> (897)
C17H15BrN2O4

>  <MolWeight> (897)
391.216

>  <PCAT_CMPD_ID> (897)
WAY-225120

>  <CNC_ID> (897)
359340174

>  <transfer_container_id> (897)
PTN000000068

>  <COMPOUND_NUMBER> (897)
WAY-225120

>  <LOCATION_CODE> (897)
PTNCS

>  <AMOUNT_CURRENT> (897)
33.4

$$$$
WAY-231168
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.4703   -0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1163   -0.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0307   -1.3156    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7117   -1.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6307   -0.2806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2293   -0.9046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6233    0.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5113   -1.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6823   -0.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3748   -1.3846    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1497    0.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3613    0.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583   -2.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4263   -0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2093    1.5314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2553   -1.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3913    0.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8817    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9637    0.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5377    1.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9577    2.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948    1.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4008    0.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1998    1.3154    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  2  1  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  6  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  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
 11 18  2  0  0  0  0
 19 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 23 24  2  0  0  0  0
  5  4  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (898)
898

>  <Formula> (898)
C16H16N2O4S2

>  <MolWeight> (898)
364.43924

>  <PCAT_CMPD_ID> (898)
WAY-231168

>  <CNC_ID> (898)
359340221

>  <transfer_container_id> (898)
PTN000000068

>  <COMPOUND_NUMBER> (898)
WAY-231168

>  <LOCATION_CODE> (898)
PTNCS

>  <AMOUNT_CURRENT> (898)
33

$$$$
WAY-233124
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.6475   -2.4175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4100   -2.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6475   -3.7120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405   -3.0505    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4100   -4.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6835   -1.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0070   -0.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3455   -3.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6835   -4.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8635   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5465   -0.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7120   -4.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7120   -1.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605   -3.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7555   -3.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7770   -0.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5825    0.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9065   -1.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8130    0.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8275   -1.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5325   -1.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605   -0.8060    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  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 16 19  2  0  0  0  0
 17 13  1  0  0  0  0
 18 12  2  0  0  0  0
 19 11  1  0  0  0  0
 20 10  2  0  0  0  0
 21 16  1  0  0  0  0
 22 14  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
  5  4  1  0  0  0  0
 16 20  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (899)
899

>  <Formula> (899)
C20H21NO4

>  <MolWeight> (899)
339.38504

>  <PCAT_CMPD_ID> (899)
WAY-233124

>  <CNC_ID> (899)
359340252

>  <transfer_container_id> (899)
PTN000000068

>  <COMPOUND_NUMBER> (899)
WAY-233124

>  <LOCATION_CODE> (899)
PTNCS

>  <AMOUNT_CURRENT> (899)
33.2

$$$$
WAY-250628
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.4750   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9833   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4833   -0.0500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4833   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9958    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917    0.2417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4958   -0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9958    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9708   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9708    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4875    1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9708   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000    1.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667   -1.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5042   -0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4917   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4417   -1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5083   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -0.9250    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  2  1  0  0  0  0
  6  8  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  9  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20  6  2  0  0  0  0
 21  8  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
  4  5  1  0  0  0  0
 17 19  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (900)
900

>  <Formula> (900)
C18H15NO4S

>  <MolWeight> (900)
341.381

>  <PCAT_CMPD_ID> (900)
WAY-250628

>  <CNC_ID> (900)
359340383

>  <transfer_container_id> (900)
PTN000000068

>  <COMPOUND_NUMBER> (900)
WAY-250628

>  <LOCATION_CODE> (900)
PTNCS

>  <AMOUNT_CURRENT> (900)
33.4

$$$$
WAY-296502-A
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.6310    0.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690    0.6448    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -2.9000    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2000   -1.2655    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
  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
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 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
 17 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 15  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (901)
901

>  <Formula> (901)
C18H31N3O

>  <MolWeight> (901)
305.45824

>  <PCAT_CMPD_ID> (901)
WAY-296502-A

>  <CNC_ID> (901)
359342946

>  <transfer_container_id> (901)
PTN000000068

>  <COMPOUND_NUMBER> (901)
WAY-296502-A

>  <LOCATION_CODE> (901)
PTNCS

>  <AMOUNT_CURRENT> (901)
33.1

$$$$
WAY-296541
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.1171    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999    0.0448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8378    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6792    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3999    1.7069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5516    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1171   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1622   -0.3379    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
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
 10 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
 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
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
  9 14  2  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (902)
902

>  <Formula> (902)
C16H15ClN2O5S

>  <MolWeight> (902)
382.8187

>  <PCAT_CMPD_ID> (902)
WAY-296541

>  <CNC_ID> (902)
359342985

>  <transfer_container_id> (902)
PTN000000068

>  <COMPOUND_NUMBER> (902)
WAY-296541

>  <LOCATION_CODE> (902)
PTNCS

>  <AMOUNT_CURRENT> (902)
33.5

$$$$
WAY-296581
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4445   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5445   -0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8135    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3445   -1.5935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6238   -0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  3  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
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 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
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (903)
903

>  <Formula> (903)
C21H23NO

>  <MolWeight> (903)
305.41342

>  <PCAT_CMPD_ID> (903)
WAY-296581

>  <CNC_ID> (903)
359343025

>  <transfer_container_id> (903)
PTN000000068

>  <COMPOUND_NUMBER> (903)
WAY-296581

>  <LOCATION_CODE> (903)
PTNCS

>  <AMOUNT_CURRENT> (903)
33.5

$$$$
WAY-296623
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.6345    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1172    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7621    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
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  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  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
  8 10  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (904)
904

>  <Formula> (904)
C11H12N2OS

>  <MolWeight> (904)
220.29078

>  <PCAT_CMPD_ID> (904)
WAY-296623

>  <CNC_ID> (904)
359343067

>  <transfer_container_id> (904)
PTN000000068

>  <COMPOUND_NUMBER> (904)
WAY-296623

>  <LOCATION_CODE> (904)
PTNCS

>  <AMOUNT_CURRENT> (904)
33.4

$$$$
WAY-296699-A
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.7724    0.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 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
 21 22  1  0  0  0  0
  7  9  2  0  0  0  0
 14 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (905)
905

>  <Formula> (905)
C15H13FN2O4

>  <MolWeight> (905)
304.2731232

>  <PCAT_CMPD_ID> (905)
WAY-296699-A

>  <CNC_ID> (905)
359343143

>  <transfer_container_id> (905)
PTN000000068

>  <COMPOUND_NUMBER> (905)
WAY-296699-A

>  <LOCATION_CODE> (905)
PTNCS

>  <AMOUNT_CURRENT> (905)
33.3

$$$$
WAY-297071
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2492   -0.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172   -0.1852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3492    0.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -0.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5492    0.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0062    0.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9648    0.5468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3078    0.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3922   -0.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2672   -1.5742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9648   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6008    0.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2578   -0.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13 15  1  0  0  0  0
  6  3  2  0  0  0  0
 15 14  1  0  0  0  0
 14 12  1  0  0  0  0
 13 11  1  0  0  0  0
 12  7  1  0  0  0  0
 11  7  1  0  0  0  0
 10  4  1  0  0  0  0
  9  4  2  0  0  0  0
  8  3  1  0  0  0  0
  7  8  1  0  0  0  0
  6  5  1  0  0  0  0
  1  5  2  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (906)
906

>  <Formula> (906)
C11H15NO3

>  <MolWeight> (906)
209.2417

>  <PCAT_CMPD_ID> (906)
WAY-297071

>  <CNC_ID> (906)
359343515

>  <transfer_container_id> (906)
PTN000000068

>  <COMPOUND_NUMBER> (906)
WAY-297071

>  <LOCATION_CODE> (906)
PTNCS

>  <AMOUNT_CURRENT> (906)
33.3

$$$$
WAY-297202
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.0060    3.4966    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2806    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7629    2.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2806    1.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7629    1.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0556    0.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5428    3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041    4.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1275    3.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4685    3.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6572    3.1478    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  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  2  0  0  0  0
 17  9  2  0  0  0  0
 18  4  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 14  1  0  0  0  0
 24 14  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 12  8  1  0  0  0  0
  7  4  1  0  0  0  0
 22 27  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (907)
907

>  <Formula> (907)
C21H22N2O5

>  <MolWeight> (907)
382.40978

>  <PCAT_CMPD_ID> (907)
WAY-297202

>  <CNC_ID> (907)
359343646

>  <transfer_container_id> (907)
PTN000000068

>  <COMPOUND_NUMBER> (907)
WAY-297202

>  <LOCATION_CODE> (907)
PTNCS

>  <AMOUNT_CURRENT> (907)
33.3

$$$$
WAY-297252
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.8616    0.6341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0995   -0.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1384    1.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8650    1.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236   -1.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1384    2.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1419    0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8650    2.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005   -1.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9971   -3.9452    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6  9  1  0  0  0  0
 10 13  2  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (908)
908

>  <Formula> (908)
C16H10BrN3

>  <MolWeight> (908)
324.1747

>  <PCAT_CMPD_ID> (908)
WAY-297252

>  <CNC_ID> (908)
359343696

>  <transfer_container_id> (908)
PTN000000068

>  <COMPOUND_NUMBER> (908)
WAY-297252

>  <LOCATION_CODE> (908)
PTNCS

>  <AMOUNT_CURRENT> (908)
33.4

$$$$
WAY-297273
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.2034   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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  3  8  1  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
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  9 11  1  0  0  0  0
 14 15  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (909)
909

>  <Formula> (909)
C17H12ClN3OS

>  <MolWeight> (909)
341.81468

>  <PCAT_CMPD_ID> (909)
WAY-297273

>  <CNC_ID> (909)
359343717

>  <transfer_container_id> (909)
PTN000000068

>  <COMPOUND_NUMBER> (909)
WAY-297273

>  <LOCATION_CODE> (909)
PTNCS

>  <AMOUNT_CURRENT> (909)
33.1

$$$$
WAY-297402
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.8613   -0.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2214    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
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 12 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  5  8  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (910)
910

>  <Formula> (910)
C12H12N2O2S2

>  <MolWeight> (910)
280.36588

>  <PCAT_CMPD_ID> (910)
WAY-297402

>  <CNC_ID> (910)
359343846

>  <transfer_container_id> (910)
PTN000000068

>  <COMPOUND_NUMBER> (910)
WAY-297402

>  <LOCATION_CODE> (910)
PTNCS

>  <AMOUNT_CURRENT> (910)
33.5

$$$$
WAY-297476
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.0276   -0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3172   -0.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  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
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  7  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (911)
911

>  <Formula> (911)
C15H17NO3

>  <MolWeight> (911)
259.30038

>  <PCAT_CMPD_ID> (911)
WAY-297476

>  <CNC_ID> (911)
359343920

>  <transfer_container_id> (911)
PTN000000068

>  <COMPOUND_NUMBER> (911)
WAY-297476

>  <LOCATION_CODE> (911)
PTNCS

>  <AMOUNT_CURRENT> (911)
33.4

$$$$
WAY-340022
csChFnd80/10101909502D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.1417  -14.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4042  -15.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3500  -14.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125  -14.0417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2167  -15.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667  -13.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7000  -15.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750  -12.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792  -14.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792  -13.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917  -12.4167    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  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (912)
912

>  <Formula> (912)
C6H7NO3S

>  <MolWeight> (912)
173.18968

>  <PCAT_CMPD_ID> (912)
WAY-340022

>  <CNC_ID> (912)
359425240

>  <transfer_container_id> (912)
PTN000000074

>  <COMPOUND_NUMBER> (912)
WAY-340022

>  <LOCATION_CODE> (912)
PTNCS

>  <AMOUNT_CURRENT> (912)
32.1

$$$$
WAY-340242
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.3167   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -7.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8292   -5.8042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -6.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5625   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -7.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667   -7.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542   -7.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6125   -7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750   -7.9042    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -8.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292   -7.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292   -7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6042   -6.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042   -6.8917    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  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  6  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
 18  5  2  0  0  0  0
 19  7  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
  5  7  1  0  0  0  0
 21 20  2  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (913)
913

>  <Formula> (913)
C16H12FN3O

>  <MolWeight> (913)
281.2843832

>  <PCAT_CMPD_ID> (913)
WAY-340242

>  <CNC_ID> (913)
359425377

>  <transfer_container_id> (913)
PTN000000074

>  <COMPOUND_NUMBER> (913)
WAY-340242

>  <LOCATION_CODE> (913)
PTNCS

>  <AMOUNT_CURRENT> (913)
32.4

$$$$
WAY-340967
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.9000   -6.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5125   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -7.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6792   -8.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9875   -8.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6375  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3292  -10.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   -6.7042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.8417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -6.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4292  -11.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8667   -9.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2250   -8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9250   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -3.7417    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  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9 11  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 14  1  1  0  0  0  0
 15 14  1  0  0  0  0
  5  4  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (914)
914

>  <Formula> (914)
C10H9NOS3

>  <MolWeight> (914)
255.37956

>  <PCAT_CMPD_ID> (914)
WAY-340967

>  <CNC_ID> (914)
359425967

>  <transfer_container_id> (914)
PTN000000074

>  <COMPOUND_NUMBER> (914)
WAY-340967

>  <LOCATION_CODE> (914)
PTNCS

>  <AMOUNT_CURRENT> (914)
32

$$$$
WAY-348728-A
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
   13.3917   -8.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3000   -6.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6875   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875   -9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -6.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -3.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7792   -9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2750  -11.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4042   -5.0417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1875   -6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7125   -4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5667  -11.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0542  -12.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -4.2417    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  3  1  0  0  0  0
  6 11  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18  2  1  0  0  0  0
 19 15  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 12  7  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (915)
915

>  <Formula> (915)
C19H31NO3

>  <MolWeight> (915)
321.45434

>  <PCAT_CMPD_ID> (915)
WAY-348728-A

>  <CNC_ID> (915)
359436539

>  <transfer_container_id> (915)
PTN000000075

>  <COMPOUND_NUMBER> (915)
WAY-348728-A

>  <LOCATION_CODE> (915)
PTNCS

>  <AMOUNT_CURRENT> (915)
32.5

$$$$
WAY-349140
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.1167   -4.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -2.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1292   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -3.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7625   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2125   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4292   -6.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9042   -7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 20  2  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 12  7  2  0  0  0  0
 13  5  2  0  0  0  0
 14 10  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  1  0  0  0  0
 18  7  1  0  0  0  0
 19 17  1  0  0  0  0
 20 13  1  0  0  0  0
 21 19  2  0  0  0  0
 22 19  1  0  0  0  0
 23  3  1  0  0  0  0
 24 10  1  0  0  0  0
  2  4  1  0  0  0  0
  6  9  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <Mol_ID> (916)
916

>  <Formula> (916)
C18H16N2O3S

>  <MolWeight> (916)
340.39624

>  <PCAT_CMPD_ID> (916)
WAY-349140

>  <CNC_ID> (916)
359436935

>  <transfer_container_id> (916)
PTN000000075

>  <COMPOUND_NUMBER> (916)
WAY-349140

>  <LOCATION_CODE> (916)
PTNCS

>  <AMOUNT_CURRENT> (916)
32.6

$$$$
WAY-350242
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.2250   -5.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4667   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167   -5.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4500   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2292   -5.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917   -7.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5167   -7.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500   -8.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  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 11  1  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  2  0  0  0  0
 14  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 10  2  0  0  0  0
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 25 11  1  0  0  0  0
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 18 20  1  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (917)
917

>  <Formula> (917)
C17H13Cl2N3O2S

>  <MolWeight> (917)
394.27502

>  <PCAT_CMPD_ID> (917)
WAY-350242

>  <CNC_ID> (917)
359437990

>  <transfer_container_id> (917)
PTN000000075

>  <COMPOUND_NUMBER> (917)
WAY-350242

>  <LOCATION_CODE> (917)
PTNCS

>  <AMOUNT_CURRENT> (917)
32

$$$$
WAY-350390
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
   12.4792   -7.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  2  1  0  0  0  0
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  6 10  1  0  0  0  0
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  8 18  1  0  0  0  0
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 10 13  1  0  0  0  0
 11  8  1  0  0  0  0
 12  1  1  0  0  0  0
 13 11  2  0  0  0  0
 14  3  2  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  4  2  0  0  0  0
 18 16  1  0  0  0  0
 19 15  1  0  0  0  0
 20  6  1  0  0  0  0
 21  6  1  0  0  0  0
 22  6  1  0  0  0  0
 23 12  2  0  0  0  0
 24 12  1  0  0  0  0
 25 24  2  0  0  0  0
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 27 25  1  0  0  0  0
 28 30  1  0  0  0  0
 29 11  1  0  0  0  0
 30 29  2  0  0  0  0
 31 27  1  0  0  0  0
  2  9  1  0  0  0  0
 26 27  2  0  0  0  0
 19  8  1  0  0  0  0
 10 28  2  0  0  0  0
M  END
>  <Mol_ID> (918)
918

>  <Formula> (918)
C23H24F3N3O2

>  <MolWeight> (918)
431.4507696

>  <PCAT_CMPD_ID> (918)
WAY-350390

>  <CNC_ID> (918)
359438132

>  <transfer_container_id> (918)
PTN000000075

>  <COMPOUND_NUMBER> (918)
WAY-350390

>  <LOCATION_CODE> (918)
PTNCS

>  <AMOUNT_CURRENT> (918)
32.7

$$$$
WAY-313617
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1207    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
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 18 24  2  0  0  0  0
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  5  8  2  0  0  0  0
 12 18  1  0  0  0  0
 17 23  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (919)
919

>  <Formula> (919)
C21H19N3O3

>  <MolWeight> (919)
361.39386

>  <PCAT_CMPD_ID> (919)
WAY-313617

>  <CNC_ID> (919)
359328653

>  <transfer_container_id> (919)
PTN000000067

>  <COMPOUND_NUMBER> (919)
WAY-313617

>  <LOCATION_CODE> (919)
PTNCS

>  <AMOUNT_CURRENT> (919)
33

$$$$
WAY-626567
csChFnd80/10101909502D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.8292   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
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 16  6  1  0  0  0  0
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 18  9  2  0  0  0  0
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 20  5  1  0  0  0  0
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 30 25  2  0  0  0  0
 31 29  2  0  0  0  0
  6  5  1  0  0  0  0
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 15 14  2  0  0  0  0
 27 28  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
>  <Mol_ID> (920)
920

>  <Formula> (920)
C21H16N6O4

>  <MolWeight> (920)
416.38954

>  <PCAT_CMPD_ID> (920)
WAY-626567

>  <CNC_ID> (920)
359335374

>  <transfer_container_id> (920)
PTN000000067

>  <COMPOUND_NUMBER> (920)
WAY-626567

>  <LOCATION_CODE> (920)
PTNCS

>  <AMOUNT_CURRENT> (920)
32.2

$$$$
WAY-627534
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15  6  1  0  0  0  0
 16 22  2  0  0  0  0
 17  8  2  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20  3  1  0  0  0  0
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  4  3  1  0  0  0  0
 18 10  2  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (921)
921

>  <Formula> (921)
C17H15N5OS

>  <MolWeight> (921)
337.3989

>  <PCAT_CMPD_ID> (921)
WAY-627534

>  <CNC_ID> (921)
359336338

>  <transfer_container_id> (921)
PTN000000067

>  <COMPOUND_NUMBER> (921)
WAY-627534

>  <LOCATION_CODE> (921)
PTNCS

>  <AMOUNT_CURRENT> (921)
32.5

$$$$
WAY-644045
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
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 15 13  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
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 20  8  1  0  0  0  0
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 29 27  2  0  0  0  0
 21 16  2  0  0  0  0
 28 24  2  0  0  0  0
M  END
>  <Mol_ID> (922)
922

>  <Formula> (922)
C24H22N2O3

>  <MolWeight> (922)
386.44308

>  <PCAT_CMPD_ID> (922)
WAY-644045

>  <CNC_ID> (922)
359336717

>  <transfer_container_id> (922)
PTN000000067

>  <COMPOUND_NUMBER> (922)
WAY-644045

>  <LOCATION_CODE> (922)
PTNCS

>  <AMOUNT_CURRENT> (922)
32

$$$$
WAY-644656
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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  4  3  2  0  0  0  0
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  6  4  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13 22  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  2  0  0  0  0
 17  3  1  0  0  0  0
 18 10  2  0  0  0  0
 19 20  1  0  0  0  0
 20 12  2  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 10  1  0  0  0  0
  2  4  1  0  0  0  0
 19 11  2  0  0  0  0
 21 13  1  0  0  0  0
M  END
>  <Mol_ID> (923)
923

>  <Formula> (923)
C16H17ClN4O2

>  <MolWeight> (923)
332.78478

>  <PCAT_CMPD_ID> (923)
WAY-644656

>  <CNC_ID> (923)
359337328

>  <transfer_container_id> (923)
PTN000000067

>  <COMPOUND_NUMBER> (923)
WAY-644656

>  <LOCATION_CODE> (923)
PTNCS

>  <AMOUNT_CURRENT> (923)
32.8

$$$$
WAY-274135
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.8125    2.9583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 11  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
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 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  2  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
 16  9  1  0  0  0  0
 17  8  2  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20  6  1  0  0  0  0
 21  6  1  0  0  0  0
 22  6  1  0  0  0  0
 23 16  1  0  0  0  0
 24  4  1  0  0  0  0
 25 12  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
  7 12  1  0  0  0  0
 25 27  2  0  0  0  0
 11 18  2  0  0  0  0
M  END
>  <Mol_ID> (924)
924

>  <Formula> (924)
C17H12ClF3N2O3S

>  <MolWeight> (924)
416.8019896

>  <PCAT_CMPD_ID> (924)
WAY-274135

>  <CNC_ID> (924)
359341398

>  <transfer_container_id> (924)
PTN000000068

>  <COMPOUND_NUMBER> (924)
WAY-274135

>  <LOCATION_CODE> (924)
PTNCS

>  <AMOUNT_CURRENT> (924)
32.5

$$$$
WAY-277843
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  7  1  0  0  0  0
 10 14  2  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
  3  6  1  0  0  0  0
 10 15  1  0  0  0  0
M  END
>  <Mol_ID> (925)
925

>  <Formula> (925)
C13H18N2OS2

>  <MolWeight> (925)
282.42482

>  <PCAT_CMPD_ID> (925)
WAY-277843

>  <CNC_ID> (925)
359342388

>  <transfer_container_id> (925)
PTN000000068

>  <COMPOUND_NUMBER> (925)
WAY-277843

>  <LOCATION_CODE> (925)
PTNCS

>  <AMOUNT_CURRENT> (925)
32.5

$$$$
WAY-612014
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.3667    1.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  2  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18  8  1  0  0  0  0
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 22 21  1  0  0  0  0
  4  6  1  0  0  0  0
 15 16  2  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (926)
926

>  <Formula> (926)
C14H12N4O2S2

>  <MolWeight> (926)
332.40068

>  <PCAT_CMPD_ID> (926)
WAY-612014

>  <CNC_ID> (926)
359347916

>  <transfer_container_id> (926)
PTN000000068

>  <COMPOUND_NUMBER> (926)
WAY-612014

>  <LOCATION_CODE> (926)
PTNCS

>  <AMOUNT_CURRENT> (926)
32.4

$$$$
WAY-612735
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.9208    0.8875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  2  0  0  0  0
 11  9  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 13  2  0  0  0  0
 16 14  2  0  0  0  0
 17 11  1  0  0  0  0
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 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (927)
927

>  <Formula> (927)
C14H15N3O3S

>  <MolWeight> (927)
305.3522

>  <PCAT_CMPD_ID> (927)
WAY-612735

>  <CNC_ID> (927)
359348637

>  <transfer_container_id> (927)
PTN000000068

>  <COMPOUND_NUMBER> (927)
WAY-612735

>  <LOCATION_CODE> (927)
PTNCS

>  <AMOUNT_CURRENT> (927)
32.4

$$$$
WAY-628775
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  9  1  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
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  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
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  7 12  2  0  0  0  0
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 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  1 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (928)
928

>  <Formula> (928)
C14H16N2O

>  <MolWeight> (928)
228.28964

>  <PCAT_CMPD_ID> (928)
WAY-628775

>  <CNC_ID> (928)
359349926

>  <transfer_container_id> (928)
PTN000000068

>  <COMPOUND_NUMBER> (928)
WAY-628775

>  <LOCATION_CODE> (928)
PTNCS

>  <AMOUNT_CURRENT> (928)
32.7

$$$$
WAY-628844
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22 19  2  0  0  0  0
  5  4  1  0  0  0  0
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 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (929)
929

>  <Formula> (929)
C16H16N4O2

>  <MolWeight> (929)
296.32384

>  <PCAT_CMPD_ID> (929)
WAY-628844

>  <CNC_ID> (929)
359349995

>  <transfer_container_id> (929)
PTN000000068

>  <COMPOUND_NUMBER> (929)
WAY-628844

>  <LOCATION_CODE> (929)
PTNCS

>  <AMOUNT_CURRENT> (929)
32.1

$$$$
WAY-629251
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.0417   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
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  7  1  1  0  0  0  0
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  9  3  1  0  0  0  0
 10 14  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 10 12  1  0  0  0  0
  9  2  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (930)
930

>  <Formula> (930)
C12H19NO

>  <MolWeight> (930)
193.28536

>  <PCAT_CMPD_ID> (930)
WAY-629251

>  <CNC_ID> (930)
359350401

>  <transfer_container_id> (930)
PTN000000068

>  <COMPOUND_NUMBER> (930)
WAY-629251

>  <LOCATION_CODE> (930)
PTNCS

>  <AMOUNT_CURRENT> (930)
32.7

$$$$
WAY-647284
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
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 22 17  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
  7 12  1  0  0  0  0
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 21 22  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (931)
931

>  <Formula> (931)
C19H16N2O4

>  <MolWeight> (931)
336.34134

>  <PCAT_CMPD_ID> (931)
WAY-647284

>  <CNC_ID> (931)
359351663

>  <transfer_container_id> (931)
PTN000000068

>  <COMPOUND_NUMBER> (931)
WAY-647284

>  <LOCATION_CODE> (931)
PTNCS

>  <AMOUNT_CURRENT> (931)
32.6

$$$$
WAY-648308
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11 13  1  0  0  0  0
 12  3  2  0  0  0  0
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 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
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 17 25  1  0  0  0  0
 18  2  1  0  0  0  0
 19  5  1  0  0  0  0
 20  9  1  0  0  0  0
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 17 26  1  0  0  0  0
 23 11  2  0  0  0  0
M  END
>  <Mol_ID> (932)
932

>  <Formula> (932)
C19H24N4O4S

>  <MolWeight> (932)
404.48326

>  <PCAT_CMPD_ID> (932)
WAY-648308

>  <CNC_ID> (932)
359352686

>  <transfer_container_id> (932)
PTN000000068

>  <COMPOUND_NUMBER> (932)
WAY-648308

>  <LOCATION_CODE> (932)
PTNCS

>  <AMOUNT_CURRENT> (932)
32.8

$$$$
WAY-649224
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  2  0  0  0  0
 14  2  2  0  0  0  0
 15  9  1  0  0  0  0
 16  5  2  0  0  0  0
 17  6  1  0  0  0  0
 18 17  2  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
 12 11  1  0  0  0  0
  9  7  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (933)
933

>  <Formula> (933)
C14H13NO5

>  <MolWeight> (933)
275.25672

>  <PCAT_CMPD_ID> (933)
WAY-649224

>  <CNC_ID> (933)
359353600

>  <transfer_container_id> (933)
PTN000000068

>  <COMPOUND_NUMBER> (933)
WAY-649224

>  <LOCATION_CODE> (933)
PTNCS

>  <AMOUNT_CURRENT> (933)
32.3

$$$$
WAY-613529
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20 12  1  0  0  0  0
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  6  5  2  0  0  0  0
 23 22  1  0  0  0  0
 26 18  2  0  0  0  0
 27 19  2  0  0  0  0
M  END
>  <Mol_ID> (934)
934

>  <Formula> (934)
C22H19N3O2

>  <MolWeight> (934)
357.40516

>  <PCAT_CMPD_ID> (934)
WAY-613529

>  <CNC_ID> (934)
359361552

>  <transfer_container_id> (934)
PTN000000069

>  <COMPOUND_NUMBER> (934)
WAY-613529

>  <LOCATION_CODE> (934)
PTNCS

>  <AMOUNT_CURRENT> (934)
33

$$$$
WAY-649704
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
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 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17  7  1  0  0  0  0
 18 12  2  0  0  0  0
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 20 14  2  0  0  0  0
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 21 17  2  0  0  0  0
 16 10  2  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (935)
935

>  <Formula> (935)
C21H17NO2

>  <MolWeight> (935)
315.36518

>  <PCAT_CMPD_ID> (935)
WAY-649704

>  <CNC_ID> (935)
359365411

>  <transfer_container_id> (935)
PTN000000069

>  <COMPOUND_NUMBER> (935)
WAY-649704

>  <LOCATION_CODE> (935)
PTNCS

>  <AMOUNT_CURRENT> (935)
32.9

$$$$
WAY-649705
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 11  2  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 16  4  2  0  0  0  0
 17 11  1  0  0  0  0
 18 20  1  0  0  0  0
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 20 17  2  0  0  0  0
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 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
 12 14  2  0  0  0  0
  9 10  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (936)
936

>  <Formula> (936)
C17H14F2N2OS

>  <MolWeight> (936)
332.3676664

>  <PCAT_CMPD_ID> (936)
WAY-649705

>  <CNC_ID> (936)
359365412

>  <transfer_container_id> (936)
PTN000000069

>  <COMPOUND_NUMBER> (936)
WAY-649705

>  <LOCATION_CODE> (936)
PTNCS

>  <AMOUNT_CURRENT> (936)
32.4

$$$$
AY-27400
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (937)
937

>  <Formula> (937)
C12H15NO4

>  <MolWeight> (937)
237.2518

>  <PCAT_CMPD_ID> (937)
AY-27400

>  <CNC_ID> (937)
359367371

>  <transfer_container_id> (937)
PTN000000070

>  <COMPOUND_NUMBER> (937)
AY-27400

>  <LOCATION_CODE> (937)
PTNCS

>  <AMOUNT_CURRENT> (937)
32.1

$$$$
SD-216371
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
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 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (938)
938

>  <Formula> (938)
C19H14N2O4

>  <MolWeight> (938)
334.32546

>  <PCAT_CMPD_ID> (938)
SD-216371

>  <CNC_ID> (938)
359367545

>  <transfer_container_id> (938)
PTN000000070

>  <COMPOUND_NUMBER> (938)
SD-216371

>  <LOCATION_CODE> (938)
PTNCS

>  <AMOUNT_CURRENT> (938)
32.5

$$$$
WAY-601637
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
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  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
  8 13  1  0  0  0  0
M  END
>  <Mol_ID> (939)
939

>  <Formula> (939)
C9H9N3O

>  <MolWeight> (939)
175.18726

>  <PCAT_CMPD_ID> (939)
WAY-601637

>  <CNC_ID> (939)
359375365

>  <transfer_container_id> (939)
PTN000000070

>  <COMPOUND_NUMBER> (939)
WAY-601637

>  <LOCATION_CODE> (939)
PTNCS

>  <AMOUNT_CURRENT> (939)
32.1

$$$$
WAY-601665
csChFnd80/10101909502D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  2  0  0  0  0
 16  8  2  0  0  0  0
 17  7  2  0  0  0  0
 18 10  2  0  0  0  0
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 20 12  1  0  0  0  0
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 26 17  1  0  0  0  0
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 21 25  2  0  0  0  0
 23 22  2  0  0  0  0
 24 20  2  0  0  0  0
 19 26  2  0  0  0  0
M  END
>  <Mol_ID> (940)
940

>  <Formula> (940)
C20H12N2O4

>  <MolWeight> (940)
344.32028

>  <PCAT_CMPD_ID> (940)
WAY-601665

>  <CNC_ID> (940)
359375393

>  <transfer_container_id> (940)
PTN000000070

>  <COMPOUND_NUMBER> (940)
WAY-601665

>  <LOCATION_CODE> (940)
PTNCS

>  <AMOUNT_CURRENT> (940)
32.4

$$$$
WAY-615716
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 13  6  1  0  0  0  0
 14  7  1  0  0  0  0
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 20  4  1  0  0  0  0
 21  5  2  0  0  0  0
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 29 13  2  0  0  0  0
 21 27  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (941)
941

>  <Formula> (941)
C20H14F3N3O2S

>  <MolWeight> (941)
417.4042696

>  <PCAT_CMPD_ID> (941)
WAY-615716

>  <CNC_ID> (941)
359376438

>  <transfer_container_id> (941)
PTN000000070

>  <COMPOUND_NUMBER> (941)
WAY-615716

>  <LOCATION_CODE> (941)
PTNCS

>  <AMOUNT_CURRENT> (941)
32.8

$$$$
WAY-632965-A
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 13 10  2  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (942)
942

>  <Formula> (942)
C10H11NO3

>  <MolWeight> (942)
193.19924

>  <PCAT_CMPD_ID> (942)
WAY-632965

>  <CNC_ID> (942)
359377081

>  <transfer_container_id> (942)
PTN000000070

>  <COMPOUND_NUMBER> (942)
WAY-632965

>  <LOCATION_CODE> (942)
PTNCS

>  <AMOUNT_CURRENT> (942)
32.8

$$$$
WAY-633044
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10 23  1  0  0  0  0
 11  5  1  0  0  0  0
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 13 14  2  0  0  0  0
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 15 11  2  0  0  0  0
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 18  4  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  2  0  0  0  0
 21  8  1  0  0  0  0
 22  7  1  0  0  0  0
 23 24  1  0  0  0  0
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 17 19  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (943)
943

>  <Formula> (943)
C19H20ClNO3

>  <MolWeight> (943)
345.82

>  <PCAT_CMPD_ID> (943)
WAY-633044

>  <CNC_ID> (943)
359377160

>  <transfer_container_id> (943)
PTN000000070

>  <COMPOUND_NUMBER> (943)
WAY-633044

>  <LOCATION_CODE> (943)
PTNCS

>  <AMOUNT_CURRENT> (943)
32.9

$$$$
WAY-633047
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  8  2  1  0  0  0  0
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 10 20  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  2  0  0  0  0
 19  1  1  0  0  0  0
 20 23  2  0  0  0  0
 21 22  1  0  0  0  0
 22 12  2  0  0  0  0
 23 12  1  0  0  0  0
 24 28  1  0  0  0  0
 25  8  1  0  0  0  0
 26  9  1  0  0  0  0
 27 19  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 30 25  2  0  0  0  0
  9  8  2  0  0  0  0
 29 30  1  0  0  0  0
 16  6  1  0  0  0  0
 10 21  2  0  0  0  0
M  END
>  <Mol_ID> (944)
944

>  <Formula> (944)
C21H23N5O3S

>  <MolWeight> (944)
425.50402

>  <PCAT_CMPD_ID> (944)
WAY-633047

>  <CNC_ID> (944)
359377163

>  <transfer_container_id> (944)
PTN000000070

>  <COMPOUND_NUMBER> (944)
WAY-633047

>  <LOCATION_CODE> (944)
PTNCS

>  <AMOUNT_CURRENT> (944)
32.1

$$$$
WAY-652088
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  8  1  1  0  0  0  0
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 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  6  7  2  0  0  0  0
  4  5  1  0  0  0  0
 15 16  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (945)
945

>  <Formula> (945)
C18H15N3OS

>  <MolWeight> (945)
321.3962

>  <PCAT_CMPD_ID> (945)
WAY-652088

>  <CNC_ID> (945)
359378969

>  <transfer_container_id> (945)
PTN000000070

>  <COMPOUND_NUMBER> (945)
WAY-652088

>  <LOCATION_CODE> (945)
PTNCS

>  <AMOUNT_CURRENT> (945)
32.7

$$$$
WAY-652099
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15 24  2  0  0  0  0
 16 21  2  0  0  0  0
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 25  9  2  0  0  0  0
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  5  2  1  0  0  0  0
 23 15  1  0  0  0  0
 26 10  2  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (946)
946

>  <Formula> (946)
C22H20N4O2

>  <MolWeight> (946)
372.4198

>  <PCAT_CMPD_ID> (946)
WAY-652099

>  <CNC_ID> (946)
359378980

>  <transfer_container_id> (946)
PTN000000070

>  <COMPOUND_NUMBER> (946)
WAY-652099

>  <LOCATION_CODE> (946)
PTNCS

>  <AMOUNT_CURRENT> (946)
32.4

$$$$
WL-308032
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  4 10  2  0  0  0  0
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 11 15  2  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (947)
947

>  <Formula> (947)
C10H11NO4

>  <MolWeight> (947)
209.19864

>  <PCAT_CMPD_ID> (947)
WL-308032

>  <CNC_ID> (947)
359380494

>  <transfer_container_id> (947)
PTN000000070

>  <COMPOUND_NUMBER> (947)
WL-308032

>  <LOCATION_CODE> (947)
PTNCS

>  <AMOUNT_CURRENT> (947)
32.3

$$$$
WAY-606389
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 11 10  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (948)
948

>  <Formula> (948)
C14H16N2OS

>  <MolWeight> (948)
260.35464

>  <PCAT_CMPD_ID> (948)
WAY-606389

>  <CNC_ID> (948)
359414810

>  <transfer_container_id> (948)
PTN000000073

>  <COMPOUND_NUMBER> (948)
WAY-606389

>  <LOCATION_CODE> (948)
PTNCS

>  <AMOUNT_CURRENT> (948)
32

$$$$
WAY-607573
csChFnd80/10101909502D

 27 32  0  0  0  0  0  0  0  0999 V2000
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 11 10  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 13  2  0  0  0  0
 22 12  1  0  0  0  0
 23 17  2  0  0  0  0
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 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 19  2  0  0  0  0
  9  4  1  0  0  0  0
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 26 20  2  0  0  0  0
 14 12  2  0  0  0  0
 27 23  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (949)
949

>  <Formula> (949)
C23H16N4

>  <MolWeight> (949)
348.39994

>  <PCAT_CMPD_ID> (949)
WAY-607573

>  <CNC_ID> (949)
359415994

>  <transfer_container_id> (949)
PTN000000073

>  <COMPOUND_NUMBER> (949)
WAY-607573

>  <LOCATION_CODE> (949)
PTNCS

>  <AMOUNT_CURRENT> (949)
32.6

$$$$
WAY-622123
csChFnd80/10101909502D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  2  0  0  0  0
 16 10  1  0  0  0  0
 17  1  2  0  0  0  0
 18  1  2  0  0  0  0
 19 25  2  0  0  0  0
 20  3  2  0  0  0  0
 21  8  2  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
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 31 26  1  0  0  0  0
 32 27  1  0  0  0  0
 33 28  1  0  0  0  0
 19 24  1  0  0  0  0
  3  2  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (950)
950

>  <Formula> (950)
C22H26N4O6S

>  <MolWeight> (950)
474.53004

>  <PCAT_CMPD_ID> (950)
WAY-622123

>  <CNC_ID> (950)
359429396

>  <transfer_container_id> (950)
PTN000000074

>  <COMPOUND_NUMBER> (950)
WAY-622123

>  <LOCATION_CODE> (950)
PTNCS

>  <AMOUNT_CURRENT> (950)
32.4

$$$$
WAY-640307
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  1  1  0  0  0  0
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  6  5  1  0  0  0  0
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  9 17  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13 19  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
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 25 23  2  0  0  0  0
  3  8  2  0  0  0  0
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 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (951)
951

>  <Formula> (951)
C18H19N3O3S

>  <MolWeight> (951)
357.42676

>  <PCAT_CMPD_ID> (951)
WAY-640307

>  <CNC_ID> (951)
359430358

>  <transfer_container_id> (951)
PTN000000074

>  <COMPOUND_NUMBER> (951)
WAY-640307

>  <LOCATION_CODE> (951)
PTNCS

>  <AMOUNT_CURRENT> (951)
32.9

$$$$
WAY-345082
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  2  0  0  0  0
 10 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  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
  8 12  1  0  0  0  0
 11 15  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (952)
952

>  <Formula> (952)
C17H12ClNO4

>  <MolWeight> (952)
329.73448

>  <PCAT_CMPD_ID> (952)
WAY-345082

>  <CNC_ID> (952)
359320392

>  <transfer_container_id> (952)
PTN000000065

>  <COMPOUND_NUMBER> (952)
WAY-345082

>  <LOCATION_CODE> (952)
PTNCS

>  <AMOUNT_CURRENT> (952)
32.7

$$$$
WAY-310576
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.5521   -0.3179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7437   -1.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  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
  3  5  2  0  0  0  0
 16 15  2  0  0  0  0
M  END
>  <Mol_ID> (953)
953

>  <Formula> (953)
C11H12N4O

>  <MolWeight> (953)
216.23918

>  <PCAT_CMPD_ID> (953)
WAY-310576

>  <CNC_ID> (953)
359314317

>  <transfer_container_id> (953)
PTN000000065

>  <COMPOUND_NUMBER> (953)
WAY-310576

>  <LOCATION_CODE> (953)
PTNCS

>  <AMOUNT_CURRENT> (953)
33.9

$$$$
WAY-310353
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.2069   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0172   -0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9207   -0.7034    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  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (954)
954

>  <Formula> (954)
C20H22N2O3S

>  <MolWeight> (954)
370.46528

>  <PCAT_CMPD_ID> (954)
WAY-310353

>  <CNC_ID> (954)
359314094

>  <transfer_container_id> (954)
PTN000000065

>  <COMPOUND_NUMBER> (954)
WAY-310353

>  <LOCATION_CODE> (954)
PTNCS

>  <AMOUNT_CURRENT> (954)
33.5

$$$$
WAY-343258
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.4000   -3.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1792   -3.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125   -4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8542   -6.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4667   -7.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4167   -5.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0417   -5.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5042   -9.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1417  -10.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -9.5125    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 17  1  0  0  0  0
  5  2  1  0  0  0  0
  6 15  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 23  2  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 21 16  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 11 10  2  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (955)
955

>  <Formula> (955)
C15H13FN2O5

>  <MolWeight> (955)
320.2725232

>  <PCAT_CMPD_ID> (955)
WAY-343258

>  <CNC_ID> (955)
359318968

>  <transfer_container_id> (955)
PTN000000065

>  <COMPOUND_NUMBER> (955)
WAY-343258

>  <LOCATION_CODE> (955)
PTNCS

>  <AMOUNT_CURRENT> (955)
32.3

$$$$
WAY-312454
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.7138    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4931    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138    1.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  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
  8 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
 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
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  9  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (956)
956

>  <Formula> (956)
C19H22ClNO2

>  <MolWeight> (956)
331.83648

>  <PCAT_CMPD_ID> (956)
WAY-312454

>  <CNC_ID> (956)
359316194

>  <transfer_container_id> (956)
PTN000000065

>  <COMPOUND_NUMBER> (956)
WAY-312454

>  <LOCATION_CODE> (956)
PTNCS

>  <AMOUNT_CURRENT> (956)
33.1

$$$$
WAY-312352
csChFnd80/10101909502D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.4345    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    0.4310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1448    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -0.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5759   -1.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (957)
957

>  <Formula> (957)
C8H12N4O4

>  <MolWeight> (957)
228.20528

>  <PCAT_CMPD_ID> (957)
WAY-312352

>  <CNC_ID> (957)
359316092

>  <transfer_container_id> (957)
PTN000000065

>  <COMPOUND_NUMBER> (957)
WAY-312352

>  <LOCATION_CODE> (957)
PTNCS

>  <AMOUNT_CURRENT> (957)
33.8

$$$$
WAY-343829
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
   12.8792   -7.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917   -6.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167   -7.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7417   -5.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000   -6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6042  -10.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7792   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8875   -4.1875    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  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11 14  1  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 21  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  2  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 15  2  0  0  0  0
 22 19  2  0  0  0  0
 23 20  1  0  0  0  0
 24 17  2  0  0  0  0
 25 18  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
  5  3  2  0  0  0  0
 11 16  2  0  0  0  0
 24 27  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (958)
958

>  <Formula> (958)
C23H17N3O

>  <MolWeight> (958)
351.40058

>  <PCAT_CMPD_ID> (958)
WAY-343829

>  <CNC_ID> (958)
359319170

>  <transfer_container_id> (958)
PTN000000065

>  <COMPOUND_NUMBER> (958)
WAY-343829

>  <LOCATION_CODE> (958)
PTNCS

>  <AMOUNT_CURRENT> (958)
32.2

$$$$
WAY-311278
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.6069   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0759    0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0414   -0.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0000    2.3690    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
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
  7 11  1  0  0  0  0
 17 21  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (959)
959

>  <Formula> (959)
C20H23NO6

>  <MolWeight> (959)
373.39972

>  <PCAT_CMPD_ID> (959)
WAY-311278

>  <CNC_ID> (959)
359315019

>  <transfer_container_id> (959)
PTN000000065

>  <COMPOUND_NUMBER> (959)
WAY-311278

>  <LOCATION_CODE> (959)
PTNCS

>  <AMOUNT_CURRENT> (959)
33.8

$$$$
WAY-218330
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.5521    0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1934    0.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003    0.4329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8521    1.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1238    0.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7728    1.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3755   -0.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0066   -0.9947    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (960)
960

>  <Formula> (960)
C18H14ClNO4

>  <MolWeight> (960)
343.76106

>  <PCAT_CMPD_ID> (960)
WAY-218330

>  <CNC_ID> (960)
359313815

>  <transfer_container_id> (960)
PTN000000065

>  <COMPOUND_NUMBER> (960)
WAY-218330

>  <LOCATION_CODE> (960)
PTNCS

>  <AMOUNT_CURRENT> (960)
33.8

$$$$
WAY-312272
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2414    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    0.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828    1.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0966    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414    1.4379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4931    1.6862    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    3.5276   -1.0621    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 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
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (961)
961

>  <Formula> (961)
C15H9BrClFN2OS

>  <MolWeight> (961)
399.6651632

>  <PCAT_CMPD_ID> (961)
WAY-312272

>  <CNC_ID> (961)
359316012

>  <transfer_container_id> (961)
PTN000000065

>  <COMPOUND_NUMBER> (961)
WAY-312272

>  <LOCATION_CODE> (961)
PTNCS

>  <AMOUNT_CURRENT> (961)
33.7

$$$$
WAY-311235
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.2207    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8000    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2793    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6483    0.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 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
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (962)
962

>  <Formula> (962)
C18H14N2O5

>  <MolWeight> (962)
338.31416

>  <PCAT_CMPD_ID> (962)
WAY-311235

>  <CNC_ID> (962)
359314976

>  <transfer_container_id> (962)
PTN000000065

>  <COMPOUND_NUMBER> (962)
WAY-311235

>  <LOCATION_CODE> (962)
PTNCS

>  <AMOUNT_CURRENT> (962)
33.3

$$$$
WAY-312322
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.0814    0.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (963)
963

>  <Formula> (963)
C11H11NO2S

>  <MolWeight> (963)
221.27554

>  <PCAT_CMPD_ID> (963)
WAY-312322

>  <CNC_ID> (963)
359316062

>  <transfer_container_id> (963)
PTN000000065

>  <COMPOUND_NUMBER> (963)
WAY-312322

>  <LOCATION_CODE> (963)
PTNCS

>  <AMOUNT_CURRENT> (963)
33.1

$$$$
WAY-343663
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.9083    2.9833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1333    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    0.8958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9083    1.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3417    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4083    2.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1333    4.0917    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  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (964)
964

>  <Formula> (964)
C10H15NO

>  <MolWeight> (964)
165.2322

>  <PCAT_CMPD_ID> (964)
WAY-343663

>  <CNC_ID> (964)
359319017

>  <transfer_container_id> (964)
PTN000000065

>  <COMPOUND_NUMBER> (964)
WAY-343663

>  <LOCATION_CODE> (964)
PTNCS

>  <AMOUNT_CURRENT> (964)
32.6

$$$$
WAY-343810
csChFnd80/10101909502D

 34 38  0  0  0  0  0  0  0  0999 V2000
   12.4250   -9.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5792   -8.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000   -8.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6417   -9.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2417   -8.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4417  -11.7917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8167  -10.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2625  -10.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3792   -5.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   -5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042  -14.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4792  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042  -15.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  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 10  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14  4  1  0  0  0  0
 15  2  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  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 12  1  0  0  0  0
 22 17  1  0  0  0  0
 23 19  1  0  0  0  0
 24  8  2  0  0  0  0
 25  9  2  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28 22  2  0  0  0  0
 29 23  1  0  0  0  0
 30 24  1  0  0  0  0
 31 25  1  0  0  0  0
 32 28  1  0  0  0  0
 33 27  2  0  0  0  0
 34 32  2  0  0  0  0
 14 16  1  0  0  0  0
  8  9  1  0  0  0  0
 30 31  2  0  0  0  0
 33 34  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (965)
965

>  <Formula> (965)
C28H27N3O3

>  <MolWeight> (965)
453.53228

>  <PCAT_CMPD_ID> (965)
WAY-343810

>  <CNC_ID> (965)
359319151

>  <transfer_container_id> (965)
PTN000000065

>  <COMPOUND_NUMBER> (965)
WAY-343810

>  <LOCATION_CODE> (965)
PTNCS

>  <AMOUNT_CURRENT> (965)
32.3

$$$$
WAY-311969
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    4.7000    3.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667    3.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292    1.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    1.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167    1.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0292    5.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167    3.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8167    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
 12 16  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 15  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 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
  5  2  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (966)
966

>  <Formula> (966)
C16H20N2O3S

>  <MolWeight> (966)
320.4066

>  <PCAT_CMPD_ID> (966)
WAY-311969

>  <CNC_ID> (966)
359315710

>  <transfer_container_id> (966)
PTN000000065

>  <COMPOUND_NUMBER> (966)
WAY-311969

>  <LOCATION_CODE> (966)
PTNCS

>  <AMOUNT_CURRENT> (966)
33.6

$$$$
WAY-345045
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.3167   -7.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5542   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5125  -10.1417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -9.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7542   -8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2500   -4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7167  -16.0000    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  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
 19  2  1  0  0  0  0
 20  4  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
  4  3  1  0  0  0  0
 10  8  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (967)
967

>  <Formula> (967)
C17H19N5OS

>  <MolWeight> (967)
341.43066

>  <PCAT_CMPD_ID> (967)
WAY-345045

>  <CNC_ID> (967)
359320355

>  <transfer_container_id> (967)
PTN000000065

>  <COMPOUND_NUMBER> (967)
WAY-345045

>  <LOCATION_CODE> (967)
PTNCS

>  <AMOUNT_CURRENT> (967)
32.1

$$$$
WAY-312073-A
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7034    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  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
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (968)
968

>  <Formula> (968)
C16H23N3O2S

>  <MolWeight> (968)
321.43772

>  <PCAT_CMPD_ID> (968)
WAY-312073-A

>  <CNC_ID> (968)
359315814

>  <transfer_container_id> (968)
PTN000000065

>  <COMPOUND_NUMBER> (968)
WAY-312073-A

>  <LOCATION_CODE> (968)
PTNCS

>  <AMOUNT_CURRENT> (968)
33.3

$$$$
WAY-311726
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.1965   -0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
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 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
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 22 24  1  0  0  0  0
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  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (969)
969

>  <Formula> (969)
C20H20N2O4

>  <MolWeight> (969)
352.3838

>  <PCAT_CMPD_ID> (969)
WAY-311726

>  <CNC_ID> (969)
359315467

>  <transfer_container_id> (969)
PTN000000065

>  <COMPOUND_NUMBER> (969)
WAY-311726

>  <LOCATION_CODE> (969)
PTNCS

>  <AMOUNT_CURRENT> (969)
33.1

$$$$
WAY-311560
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.2552    0.6862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
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  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
  6  9  1  0  0  0  0
 15 21  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (970)
970

>  <Formula> (970)
C19H17NO6

>  <MolWeight> (970)
355.34138

>  <PCAT_CMPD_ID> (970)
WAY-311560

>  <CNC_ID> (970)
359315301

>  <transfer_container_id> (970)
PTN000000065

>  <COMPOUND_NUMBER> (970)
WAY-311560

>  <LOCATION_CODE> (970)
PTNCS

>  <AMOUNT_CURRENT> (970)
33.3

$$$$
WAY-311136
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.6759   -0.6069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -3.2276   -2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724    3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  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
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  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
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 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
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 20 24  1  0  0  0  0
 22 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
  8 13  1  0  0  0  0
 11 15  2  0  0  0  0
 21 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (971)
971

>  <Formula> (971)
C23H21FN2O2

>  <MolWeight> (971)
376.4234432

>  <PCAT_CMPD_ID> (971)
WAY-311136

>  <CNC_ID> (971)
359314877

>  <transfer_container_id> (971)
PTN000000065

>  <COMPOUND_NUMBER> (971)
WAY-311136

>  <LOCATION_CODE> (971)
PTNCS

>  <AMOUNT_CURRENT> (971)
33.8

$$$$
WAY-310492
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (972)
972

>  <Formula> (972)
C16H15N3O2

>  <MolWeight> (972)
281.3092

>  <PCAT_CMPD_ID> (972)
WAY-310492

>  <CNC_ID> (972)
359314233

>  <transfer_container_id> (972)
PTN000000065

>  <COMPOUND_NUMBER> (972)
WAY-310492

>  <LOCATION_CODE> (972)
PTNCS

>  <AMOUNT_CURRENT> (972)
33.3

$$$$
WAY-311777
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (973)
973

>  <Formula> (973)
C19H19N3O3S

>  <MolWeight> (973)
369.43746

>  <PCAT_CMPD_ID> (973)
WAY-311777

>  <CNC_ID> (973)
359315518

>  <transfer_container_id> (973)
PTN000000065

>  <COMPOUND_NUMBER> (973)
WAY-311777

>  <LOCATION_CODE> (973)
PTNCS

>  <AMOUNT_CURRENT> (973)
33.6

$$$$
WAY-312083-A
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 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> (974)
974

>  <Formula> (974)
C12H11N3O

>  <MolWeight> (974)
213.23524

>  <PCAT_CMPD_ID> (974)
WAY-312083-A

>  <CNC_ID> (974)
359315824

>  <transfer_container_id> (974)
PTN000000065

>  <COMPOUND_NUMBER> (974)
WAY-312083-A

>  <LOCATION_CODE> (974)
PTNCS

>  <AMOUNT_CURRENT> (974)
33.5

$$$$
WAY-345325
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 13  5  2  0  0  0  0
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 25  3  2  0  0  0  0
 26  6  2  0  0  0  0
 27 25  1  0  0  0  0
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  2  6  1  0  0  0  0
 28 26  1  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (975)
975

>  <Formula> (975)
C19H16ClN3O5

>  <MolWeight> (975)
401.80044

>  <PCAT_CMPD_ID> (975)
WAY-345325

>  <CNC_ID> (975)
359320597

>  <transfer_container_id> (975)
PTN000000065

>  <COMPOUND_NUMBER> (975)
WAY-345325

>  <LOCATION_CODE> (975)
PTNCS

>  <AMOUNT_CURRENT> (975)
32.8

$$$$
WAY-311433
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (976)
976

>  <Formula> (976)
C12H11N3O4

>  <MolWeight> (976)
261.23344

>  <PCAT_CMPD_ID> (976)
WAY-311433

>  <CNC_ID> (976)
359315174

>  <transfer_container_id> (976)
PTN000000065

>  <COMPOUND_NUMBER> (976)
WAY-311433

>  <LOCATION_CODE> (976)
PTNCS

>  <AMOUNT_CURRENT> (976)
33.8

$$$$
WL-130878
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (977)
977

>  <Formula> (977)
C12H14N2O

>  <MolWeight> (977)
202.25236

>  <PCAT_CMPD_ID> (977)
WL-130878

>  <CNC_ID> (977)
359326669

>  <transfer_container_id> (977)
PTN000000065

>  <COMPOUND_NUMBER> (977)
WL-130878

>  <LOCATION_CODE> (977)
PTNCS

>  <AMOUNT_CURRENT> (977)
33.4

$$$$
WAY-345422
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (978)
978

>  <Formula> (978)
C20H21F3O3

>  <MolWeight> (978)
366.3741496

>  <PCAT_CMPD_ID> (978)
WAY-345422

>  <CNC_ID> (978)
359320692

>  <transfer_container_id> (978)
PTN000000065

>  <COMPOUND_NUMBER> (978)
WAY-345422

>  <LOCATION_CODE> (978)
PTNCS

>  <AMOUNT_CURRENT> (978)
32.5

$$$$
WAY-345154
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    8.3167   -4.5167    0.0000 F   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  3  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16  5  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
  9 10  1  0  0  0  0
  2  4  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (979)
979

>  <Formula> (979)
C14H10F2N2O2S2

>  <MolWeight> (979)
340.3682064

>  <PCAT_CMPD_ID> (979)
WAY-345154

>  <CNC_ID> (979)
359320457

>  <transfer_container_id> (979)
PTN000000065

>  <COMPOUND_NUMBER> (979)
WAY-345154

>  <LOCATION_CODE> (979)
PTNCS

>  <AMOUNT_CURRENT> (979)
32.5

$$$$
WAY-343661
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
    3.6917    0.7250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2667   -4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 12  2  0  0  0  0
  9  7  2  0  0  0  0
 10 16  2  0  0  0  0
 11  5  1  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 18  1  0  0  0  0
 17  8  1  0  0  0  0
 18 14  2  0  0  0  0
 19 10  1  0  0  0  0
 20  6  2  0  0  0  0
 21 13  2  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
  4  5  1  0  0  0  0
 15 11  2  0  0  0  0
 24 21  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (980)
980

>  <Formula> (980)
C20H15NO2S

>  <MolWeight> (980)
333.4036

>  <PCAT_CMPD_ID> (980)
WAY-343661

>  <CNC_ID> (980)
359319015

>  <transfer_container_id> (980)
PTN000000065

>  <COMPOUND_NUMBER> (980)
WAY-343661

>  <LOCATION_CODE> (980)
PTNCS

>  <AMOUNT_CURRENT> (980)
32.2

$$$$
WAY-343697
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   13.0167   -5.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750   -6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -7.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875   -5.9792    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  8  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 18  1  0  0  0  0
  9 16  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16 17  1  0  0  0  0
 17  2  1  0  0  0  0
 18  9  1  0  0  0  0
 19 15  1  0  0  0  0
 20  6  2  0  0  0  0
 21  7  2  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  7  3  1  0  0  0  0
 24 21  1  0  0  0  0
 19 14  2  0  0  0  0
M  END
>  <Mol_ID> (981)
981

>  <Formula> (981)
C19H18N2O3S

>  <MolWeight> (981)
354.42282

>  <PCAT_CMPD_ID> (981)
WAY-343697

>  <CNC_ID> (981)
359319039

>  <transfer_container_id> (981)
PTN000000065

>  <COMPOUND_NUMBER> (981)
WAY-343697

>  <LOCATION_CODE> (981)
PTNCS

>  <AMOUNT_CURRENT> (981)
32.4

$$$$
WAY-342677
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
   13.1667  -11.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6375  -10.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875  -11.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000  -11.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
  7 16  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18  4  2  0  0  0  0
 19 21  1  0  0  0  0
 20 10  2  0  0  0  0
 21 13  2  0  0  0  0
 22 13  1  0  0  0  0
 23  3  1  0  0  0  0
 24  3  1  0  0  0  0
 25  9  2  0  0  0  0
 26 10  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 20  1  0  0  0  0
 30 24  1  0  0  0  0
 31 23  1  0  0  0  0
 30 31  1  0  0  0  0
 19  8  2  0  0  0  0
 17  7  1  0  0  0  0
 28 20  1  0  0  0  0
M  END
>  <Mol_ID> (982)
982

>  <Formula> (982)
C23H28ClN3O3S

>  <MolWeight> (982)
462.00472

>  <PCAT_CMPD_ID> (982)
WAY-342677

>  <CNC_ID> (982)
359318932

>  <transfer_container_id> (982)
PTN000000065

>  <COMPOUND_NUMBER> (982)
WAY-342677

>  <LOCATION_CODE> (982)
PTNCS

>  <AMOUNT_CURRENT> (982)
32.5

$$$$
WAY-236060-A
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
    7.8395   -1.4810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  6  1  0  0  0  0
 10 14  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 18  9  1  0  0  0  0
 19 16  1  0  0  0  0
 20 11  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 21  2  0  0  0  0
  8  7  1  0  0  0  0
 12 16  1  0  0  0  0
 11 15  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (983)
983

>  <Formula> (983)
C19H17NO4S

>  <MolWeight> (983)
355.40758

>  <PCAT_CMPD_ID> (983)
WAY-236060-A

>  <CNC_ID> (983)
359313939

>  <transfer_container_id> (983)
PTN000000065

>  <COMPOUND_NUMBER> (983)
WAY-236060-A

>  <LOCATION_CODE> (983)
PTNCS

>  <AMOUNT_CURRENT> (983)
33.9

$$$$
WAY-310589
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.9517    1.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  4  8  2  0  0  0  0
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  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 16 17  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  2  0  0  0  0
  6  9  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (984)
984

>  <Formula> (984)
C17H22N2O3

>  <MolWeight> (984)
302.36818

>  <PCAT_CMPD_ID> (984)
WAY-310589

>  <CNC_ID> (984)
359314330

>  <transfer_container_id> (984)
PTN000000065

>  <COMPOUND_NUMBER> (984)
WAY-310589

>  <LOCATION_CODE> (984)
PTNCS

>  <AMOUNT_CURRENT> (984)
33.1

$$$$
WAY-237549-A
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.5697    0.2456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  7  1  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13 16  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
  2  3  1  0  0  0  0
 15 17  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (985)
985

>  <Formula> (985)
C16H23N

>  <MolWeight> (985)
229.36052

>  <PCAT_CMPD_ID> (985)
WAY-237549-A

>  <CNC_ID> (985)
359313951

>  <transfer_container_id> (985)
PTN000000065

>  <COMPOUND_NUMBER> (985)
WAY-237549-A

>  <LOCATION_CODE> (985)
PTNCS

>  <AMOUNT_CURRENT> (985)
33

$$$$
WAY-344828
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
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  6  5  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 16  1  0  0  0  0
  8  7  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (986)
986

>  <Formula> (986)
C15H15NO2

>  <MolWeight> (986)
241.2851

>  <PCAT_CMPD_ID> (986)
WAY-344828

>  <CNC_ID> (986)
359320139

>  <transfer_container_id> (986)
PTN000000065

>  <COMPOUND_NUMBER> (986)
WAY-344828

>  <LOCATION_CODE> (986)
PTNCS

>  <AMOUNT_CURRENT> (986)
32.3

$$$$
WAY-343905
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   13.3500   -9.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7292  -12.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 15  1  0  0  0  0
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 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12  1  1  0  0  0  0
 13 10  1  0  0  0  0
 14 22  2  0  0  0  0
 15 23  1  0  0  0  0
 16 14  1  0  0  0  0
 17  4  1  0  0  0  0
 18  5  1  0  0  0  0
 19 13  1  0  0  0  0
 20 13  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 12  1  0  0  0  0
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 25 17  2  0  0  0  0
 26 18  2  0  0  0  0
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 26 25  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
>  <Mol_ID> (987)
987

>  <Formula> (987)
C20H17NO4S

>  <MolWeight> (987)
367.41828

>  <PCAT_CMPD_ID> (987)
WAY-343905

>  <CNC_ID> (987)
359319245

>  <transfer_container_id> (987)
PTN000000065

>  <COMPOUND_NUMBER> (987)
WAY-343905

>  <LOCATION_CODE> (987)
PTNCS

>  <AMOUNT_CURRENT> (987)
32.1

$$$$
WAY-344596
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
  9 12  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (988)
988

>  <Formula> (988)
C10H11FN2O3S

>  <MolWeight> (988)
258.2693432

>  <PCAT_CMPD_ID> (988)
WAY-344596

>  <CNC_ID> (988)
359319914

>  <transfer_container_id> (988)
PTN000000065

>  <COMPOUND_NUMBER> (988)
WAY-344596

>  <LOCATION_CODE> (988)
PTNCS

>  <AMOUNT_CURRENT> (988)
32.3

$$$$
WAY-312320
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  5  7  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (989)
989

>  <Formula> (989)
C12H12N2O3S

>  <MolWeight> (989)
264.30028

>  <PCAT_CMPD_ID> (989)
WAY-312320

>  <CNC_ID> (989)
359316060

>  <transfer_container_id> (989)
PTN000000065

>  <COMPOUND_NUMBER> (989)
WAY-312320

>  <LOCATION_CODE> (989)
PTNCS

>  <AMOUNT_CURRENT> (989)
33.4

$$$$
WAY-311918
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0793   -0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379    0.0517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.7241   -1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3759    3.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5414    3.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  5 10  1  0  0  0  0
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 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
  6  8  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (990)
990

>  <Formula> (990)
C12H19NO3

>  <MolWeight> (990)
225.28416

>  <PCAT_CMPD_ID> (990)
WAY-311918

>  <CNC_ID> (990)
359315659

>  <transfer_container_id> (990)
PTN000000065

>  <COMPOUND_NUMBER> (990)
WAY-311918

>  <LOCATION_CODE> (990)
PTNCS

>  <AMOUNT_CURRENT> (990)
33.1

$$$$
WAY-310934
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -1.1069    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000    0.1586    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1897   -2.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 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
 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
 21 22  1  0  0  0  0
  9 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (991)
991

>  <Formula> (991)
C14H20ClN3O3S

>  <MolWeight> (991)
345.8449

>  <PCAT_CMPD_ID> (991)
WAY-310934

>  <CNC_ID> (991)
359314676

>  <transfer_container_id> (991)
PTN000000065

>  <COMPOUND_NUMBER> (991)
WAY-310934

>  <LOCATION_CODE> (991)
PTNCS

>  <AMOUNT_CURRENT> (991)
33.4

$$$$
WAY-311901
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.1517    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  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  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 12  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (992)
992

>  <Formula> (992)
C16H20N2O3S

>  <MolWeight> (992)
320.4066

>  <PCAT_CMPD_ID> (992)
WAY-311901

>  <CNC_ID> (992)
359315642

>  <transfer_container_id> (992)
PTN000000065

>  <COMPOUND_NUMBER> (992)
WAY-311901

>  <LOCATION_CODE> (992)
PTNCS

>  <AMOUNT_CURRENT> (992)
33.3

$$$$
WAY-311703
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.7552    0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.1241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5034    0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0034    1.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  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
  9 13  2  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
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 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
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
  8 10  2  0  0  0  0
 18 21  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (993)
993

>  <Formula> (993)
C19H11Cl2NO4

>  <MolWeight> (993)
388.20094

>  <PCAT_CMPD_ID> (993)
WAY-311703

>  <CNC_ID> (993)
359315444

>  <transfer_container_id> (993)
PTN000000065

>  <COMPOUND_NUMBER> (993)
WAY-311703

>  <LOCATION_CODE> (993)
PTNCS

>  <AMOUNT_CURRENT> (993)
33.2

$$$$
WAY-344842
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.0625   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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 10  5  1  0  0  0  0
 11 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 11  1  0  0  0  0
 14 17  2  0  0  0  0
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 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
 20  8  2  0  0  0  0
 21  8  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  4  5  1  0  0  0  0
 15 11  2  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (994)
994

>  <Formula> (994)
C18H17BrN2O3

>  <MolWeight> (994)
389.24318

>  <PCAT_CMPD_ID> (994)
WAY-344842

>  <CNC_ID> (994)
359320153

>  <transfer_container_id> (994)
PTN000000065

>  <COMPOUND_NUMBER> (994)
WAY-344842

>  <LOCATION_CODE> (994)
PTNCS

>  <AMOUNT_CURRENT> (994)
32.9

$$$$
WAY-345402
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.0417   -4.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -9.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4500  -10.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4625   -2.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7917   -2.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5917   -4.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5292   -1.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5917   -0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8292    0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6417    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 20  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22  7  2  0  0  0  0
 23  8  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
  3  4  2  0  0  0  0
 23 25  1  0  0  0  0
 13 14  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (995)
995

>  <Formula> (995)
C20H20N2O2S

>  <MolWeight> (995)
352.45

>  <PCAT_CMPD_ID> (995)
WAY-345402

>  <CNC_ID> (995)
359320672

>  <transfer_container_id> (995)
PTN000000065

>  <COMPOUND_NUMBER> (995)
WAY-345402

>  <LOCATION_CODE> (995)
PTNCS

>  <AMOUNT_CURRENT> (995)
32.5

$$$$
WAY-343893
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.6000   -4.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -5.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4625   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8542   -6.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -5.1042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7875   -3.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -5.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9917   -8.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6875   -7.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5917   -6.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7042   -3.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5542   -5.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -4.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   -9.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5667   -9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -4.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4042   -8.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0125  -10.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1292   -4.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6375   -3.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792  -10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.9917    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  6  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  5  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
 14  5  2  0  0  0  0
 15  9  1  0  0  0  0
 16 18  2  0  0  0  0
 17 10  2  0  0  0  0
 18 11  1  0  0  0  0
 19  6  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
 13 15  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (996)
996

>  <Formula> (996)
C17H21N3O4S

>  <MolWeight> (996)
363.43134

>  <PCAT_CMPD_ID> (996)
WAY-343893

>  <CNC_ID> (996)
359319234

>  <transfer_container_id> (996)
PTN000000065

>  <COMPOUND_NUMBER> (996)
WAY-343893

>  <LOCATION_CODE> (996)
PTNCS

>  <AMOUNT_CURRENT> (996)
32.7

$$$$
WAY-312288
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.6342   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0135   -0.8966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0865   -0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9928    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3928   -1.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3721   -1.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6514   -0.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4486    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6342    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7342    0.3828    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1135   -1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0135   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1865    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1072    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4721   -2.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3928   -2.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5486    1.0241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5486   -0.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1135   -2.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2865    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1865    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5486    2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2865    2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486    2.9448    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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  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
  9 14  1  0  0  0  0
 16 19  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (997)
997

>  <Formula> (997)
C17H23BrN2O4S

>  <MolWeight> (997)
431.34452

>  <PCAT_CMPD_ID> (997)
WAY-312288

>  <CNC_ID> (997)
359316028

>  <transfer_container_id> (997)
PTN000000065

>  <COMPOUND_NUMBER> (997)
WAY-312288

>  <LOCATION_CODE> (997)
PTNCS

>  <AMOUNT_CURRENT> (997)
33.5

$$$$
WAY-345116
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.2083    1.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2958    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5083    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    1.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6833    0.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1333    2.9083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7833    0.9458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1708    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7583    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5833    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8458    1.4875    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  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
  4  5  1  0  0  0  0
 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (998)
998

>  <Formula> (998)
C9H12N2O4

>  <MolWeight> (998)
212.20258

>  <PCAT_CMPD_ID> (998)
WAY-345116

>  <CNC_ID> (998)
359320424

>  <transfer_container_id> (998)
PTN000000065

>  <COMPOUND_NUMBER> (998)
WAY-345116

>  <LOCATION_CODE> (998)
PTNCS

>  <AMOUNT_CURRENT> (998)
32.6

$$$$
WAY-312537
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.8931    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966   -0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5379    0.1034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793    1.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3207   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    0.5138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9655    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828    0.5138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 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
 13 16  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (999)
999

>  <Formula> (999)
C11H10N2O3

>  <MolWeight> (999)
218.2087

>  <PCAT_CMPD_ID> (999)
WAY-312537

>  <CNC_ID> (999)
359316276

>  <transfer_container_id> (999)
PTN000000065

>  <COMPOUND_NUMBER> (999)
WAY-312537

>  <LOCATION_CODE> (999)
PTNCS

>  <AMOUNT_CURRENT> (999)
33.5

$$$$
WAY-345224
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
   11.9792   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -5.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5750   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5292  -10.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667   -6.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7292   -8.5542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2667   -8.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6875  -10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2875   -9.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5875   -5.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   -4.8542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3292   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8792   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2042  -10.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4000  -11.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6 14  1  0  0  0  0
  7  3  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 10  2  0  0  0  0
 12  2  2  0  0  0  0
 13  2  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16  8  1  0  0  0  0
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 18  3  2  0  0  0  0
 19  4  2  0  0  0  0
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 21  9  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
 26 10  1  0  0  0  0
 27 11  1  0  0  0  0
 28 26  2  0  0  0  0
 29 28  1  0  0  0  0
 11  7  1  0  0  0  0
  6 15  1  0  0  0  0
 27 29  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,000)
1000

>  <Formula> (1,000)
C20H17ClN2O5S

>  <MolWeight> (1,000)
432.87738

>  <PCAT_CMPD_ID> (1,000)
WAY-345224

>  <CNC_ID> (1,000)
359320526

>  <transfer_container_id> (1,000)
PTN000000065

>  <COMPOUND_NUMBER> (1,000)
WAY-345224

>  <LOCATION_CODE> (1,000)
PTNCS

>  <AMOUNT_CURRENT> (1,000)
32.5

$$$$
WAY-343683
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
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 15  8  2  0  0  0  0
 16  9  1  0  0  0  0
 17 16  2  0  0  0  0
 18 12  1  0  0  0  0
 19  6  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 16  1  0  0  0  0
 23 19  2  0  0  0  0
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 26 24  1  0  0  0  0
  4  3  1  0  0  0  0
 13 17  1  0  0  0  0
 22 26  2  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,001)
1001

>  <Formula> (1,001)
C21H13BrO4

>  <MolWeight> (1,001)
409.22952

>  <PCAT_CMPD_ID> (1,001)
WAY-343683

>  <CNC_ID> (1,001)
359319025

>  <transfer_container_id> (1,001)
PTN000000065

>  <COMPOUND_NUMBER> (1,001)
WAY-343683

>  <LOCATION_CODE> (1,001)
PTNCS

>  <AMOUNT_CURRENT> (1,001)
32.6

$$$$
WAY-354339
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  2  0  0  0  0
 15 10  2  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  2  0  0  0  0
 19 15  1  0  0  0  0
 20  7  1  0  0  0  0
 21 10  1  0  0  0  0
 22 13  1  0  0  0  0
 23 15  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
 16  8  2  0  0  0  0
  2  6  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,002)
1002

>  <Formula> (1,002)
C20H17FO4

>  <MolWeight> (1,002)
340.3449832

>  <PCAT_CMPD_ID> (1,002)
WAY-354339

>  <CNC_ID> (1,002)
359320926

>  <transfer_container_id> (1,002)
PTN000000065

>  <COMPOUND_NUMBER> (1,002)
WAY-354339

>  <LOCATION_CODE> (1,002)
PTNCS

>  <AMOUNT_CURRENT> (1,002)
32.3

$$$$
WAY-311862
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 18  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,003)
1003

>  <Formula> (1,003)
C18H19NO4

>  <MolWeight> (1,003)
313.34776

>  <PCAT_CMPD_ID> (1,003)
WAY-311862

>  <CNC_ID> (1,003)
359315603

>  <transfer_container_id> (1,003)
PTN000000065

>  <COMPOUND_NUMBER> (1,003)
WAY-311862

>  <LOCATION_CODE> (1,003)
PTNCS

>  <AMOUNT_CURRENT> (1,003)
33.5

$$$$
WAY-344797
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13 17  2  0  0  0  0
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 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  2  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21  4  1  0  0  0  0
 22 20  1  0  0  0  0
 23  9  1  0  0  0  0
 24 19  1  0  0  0  0
 22  9  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,004)
1004

>  <Formula> (1,004)
C19H27NO4

>  <MolWeight> (1,004)
333.42198

>  <PCAT_CMPD_ID> (1,004)
WAY-344797

>  <CNC_ID> (1,004)
359320108

>  <transfer_container_id> (1,004)
PTN000000065

>  <COMPOUND_NUMBER> (1,004)
WAY-344797

>  <LOCATION_CODE> (1,004)
PTNCS

>  <AMOUNT_CURRENT> (1,004)
32.3

$$$$
WAY-344041
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,005)
1005

>  <Formula> (1,005)
C17H13FN2O3

>  <MolWeight> (1,005)
312.2951232

>  <PCAT_CMPD_ID> (1,005)
WAY-344041

>  <CNC_ID> (1,005)
359319378

>  <transfer_container_id> (1,005)
PTN000000065

>  <COMPOUND_NUMBER> (1,005)
WAY-344041

>  <LOCATION_CODE> (1,005)
PTNCS

>  <AMOUNT_CURRENT> (1,005)
32.8

$$$$
WL-323595
csChFnd80/10101909502D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,006)
1006

>  <Formula> (1,006)
C4H4N2O2S

>  <MolWeight> (1,006)
144.15176

>  <PCAT_CMPD_ID> (1,006)
WL-323595

>  <CNC_ID> (1,006)
359326679

>  <transfer_container_id> (1,006)
PTN000000065

>  <COMPOUND_NUMBER> (1,006)
WL-323595

>  <LOCATION_CODE> (1,006)
PTNCS

>  <AMOUNT_CURRENT> (1,006)
33.3

$$$$
WAY-354379
csChFnd80/10101909502D

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 15  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,007)
1007

>  <Formula> (1,007)
C18H19N3O2

>  <MolWeight> (1,007)
309.36236

>  <PCAT_CMPD_ID> (1,007)
WAY-354379

>  <CNC_ID> (1,007)
359320935

>  <transfer_container_id> (1,007)
PTN000000065

>  <COMPOUND_NUMBER> (1,007)
WAY-354379

>  <LOCATION_CODE> (1,007)
PTNCS

>  <AMOUNT_CURRENT> (1,007)
32.4

$$$$
WAY-343688
csChFnd80/10101909502D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,008)
1008

>  <Formula> (1,008)
C20H19F6N3O3S

>  <MolWeight> (1,008)
495.4385792

>  <PCAT_CMPD_ID> (1,008)
WAY-343688

>  <CNC_ID> (1,008)
359319030

>  <transfer_container_id> (1,008)
PTN000000065

>  <COMPOUND_NUMBER> (1,008)
WAY-343688

>  <LOCATION_CODE> (1,008)
PTNCS

>  <AMOUNT_CURRENT> (1,008)
32.4

$$$$
WAY-345279
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 11  3  2  0  0  0  0
 12  2  2  0  0  0  0
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 17  7  1  0  0  0  0
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 10  9  1  0  0  0  0
 16  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,009)
1009

>  <Formula> (1,009)
C14H14N2O5

>  <MolWeight> (1,009)
290.27136

>  <PCAT_CMPD_ID> (1,009)
WAY-345279

>  <CNC_ID> (1,009)
359320572

>  <transfer_container_id> (1,009)
PTN000000065

>  <COMPOUND_NUMBER> (1,009)
WAY-345279

>  <LOCATION_CODE> (1,009)
PTNCS

>  <AMOUNT_CURRENT> (1,009)
32.3

$$$$
WAY-344781
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
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 14  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,010)
1010

>  <Formula> (1,010)
C13H14FN3O3

>  <MolWeight> (1,010)
279.2669632

>  <PCAT_CMPD_ID> (1,010)
WAY-344781

>  <CNC_ID> (1,010)
359320092

>  <transfer_container_id> (1,010)
PTN000000065

>  <COMPOUND_NUMBER> (1,010)
WAY-344781

>  <LOCATION_CODE> (1,010)
PTNCS

>  <AMOUNT_CURRENT> (1,010)
32.8

$$$$
WAY-345175
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
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 13  8  2  0  0  0  0
 14  7  2  0  0  0  0
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 17  8  1  0  0  0  0
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 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
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  4  5  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,011)
1011

>  <Formula> (1,011)
C16H20N4O4

>  <MolWeight> (1,011)
332.3544

>  <PCAT_CMPD_ID> (1,011)
WAY-345175

>  <CNC_ID> (1,011)
359320478

>  <transfer_container_id> (1,011)
PTN000000065

>  <COMPOUND_NUMBER> (1,011)
WAY-345175

>  <LOCATION_CODE> (1,011)
PTNCS

>  <AMOUNT_CURRENT> (1,011)
32.8

$$$$
WAY-345517
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
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 19  5  1  0  0  0  0
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 21 22  2  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,012)
1012

>  <Formula> (1,012)
C20H19F2N3O3

>  <MolWeight> (1,012)
387.3799664

>  <PCAT_CMPD_ID> (1,012)
WAY-345517

>  <CNC_ID> (1,012)
359320779

>  <transfer_container_id> (1,012)
PTN000000065

>  <COMPOUND_NUMBER> (1,012)
WAY-345517

>  <LOCATION_CODE> (1,012)
PTNCS

>  <AMOUNT_CURRENT> (1,012)
32.1

$$$$
WY-14392
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  6  7  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,013)
1013

>  <Formula> (1,013)
C11H9N3O4

>  <MolWeight> (1,013)
247.20686

>  <PCAT_CMPD_ID> (1,013)
WY-14392

>  <CNC_ID> (1,013)
359326687

>  <transfer_container_id> (1,013)
PTN000000065

>  <COMPOUND_NUMBER> (1,013)
WY-14392

>  <LOCATION_CODE> (1,013)
PTNCS

>  <AMOUNT_CURRENT> (1,013)
33.8

$$$$
WAY-344281
csChFnd80/10101909502D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 13  5  1  0  0  0  0
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 16  6  1  0  0  0  0
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 23 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,014)
1014

>  <Formula> (1,014)
C16H18F3N3O4

>  <MolWeight> (1,014)
373.3270296

>  <PCAT_CMPD_ID> (1,014)
WAY-344281

>  <CNC_ID> (1,014)
359319618

>  <transfer_container_id> (1,014)
PTN000000065

>  <COMPOUND_NUMBER> (1,014)
WAY-344281

>  <LOCATION_CODE> (1,014)
PTNCS

>  <AMOUNT_CURRENT> (1,014)
32.2

$$$$
WAY-344907
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
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 15  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,015)
1015

>  <Formula> (1,015)
C19H19FN2O4S

>  <MolWeight> (1,015)
390.4285632

>  <PCAT_CMPD_ID> (1,015)
WAY-344907

>  <CNC_ID> (1,015)
359320218

>  <transfer_container_id> (1,015)
PTN000000065

>  <COMPOUND_NUMBER> (1,015)
WAY-344907

>  <LOCATION_CODE> (1,015)
PTNCS

>  <AMOUNT_CURRENT> (1,015)
32.6

$$$$
WAY-345281
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
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 16  2  2  0  0  0  0
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 19  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,016)
1016

>  <Formula> (1,016)
C22H21NO4

>  <MolWeight> (1,016)
363.40644

>  <PCAT_CMPD_ID> (1,016)
WAY-345281

>  <CNC_ID> (1,016)
359320574

>  <transfer_container_id> (1,016)
PTN000000065

>  <COMPOUND_NUMBER> (1,016)
WAY-345281

>  <LOCATION_CODE> (1,016)
PTNCS

>  <AMOUNT_CURRENT> (1,016)
32.7

$$$$
WAY-310567
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 11 13  1  0  0  0  0
 15 17  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,017)
1017

>  <Formula> (1,017)
C15H15BrN4O3

>  <MolWeight> (1,017)
379.2086

>  <PCAT_CMPD_ID> (1,017)
WAY-310567

>  <CNC_ID> (1,017)
359314308

>  <transfer_container_id> (1,017)
PTN000000065

>  <COMPOUND_NUMBER> (1,017)
WAY-310567

>  <LOCATION_CODE> (1,017)
PTNCS

>  <AMOUNT_CURRENT> (1,017)
33.3

$$$$
WAY-344289
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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 16  5  1  0  0  0  0
 17  4  1  0  0  0  0
 18 16  2  0  0  0  0
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 20  7  1  0  0  0  0
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 18  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,018)
1018

>  <Formula> (1,018)
C18H16FNO5

>  <MolWeight> (1,018)
345.3217432

>  <PCAT_CMPD_ID> (1,018)
WAY-344289

>  <CNC_ID> (1,018)
359319625

>  <transfer_container_id> (1,018)
PTN000000065

>  <COMPOUND_NUMBER> (1,018)
WAY-344289

>  <LOCATION_CODE> (1,018)
PTNCS

>  <AMOUNT_CURRENT> (1,018)
32.8

$$$$
WAY-311954
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,019)
1019

>  <Formula> (1,019)
C20H21FN2O3

>  <MolWeight> (1,019)
356.3907432

>  <PCAT_CMPD_ID> (1,019)
WAY-311954

>  <CNC_ID> (1,019)
359315695

>  <transfer_container_id> (1,019)
PTN000000065

>  <COMPOUND_NUMBER> (1,019)
WAY-311954

>  <LOCATION_CODE> (1,019)
PTNCS

>  <AMOUNT_CURRENT> (1,019)
33.5

$$$$
WAY-343685
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   16.0000   -5.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  2  0  0  0  0
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  7 11  1  0  0  0  0
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  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  2  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 16  3  1  0  0  0  0
 17  4  1  0  0  0  0
 18  6  2  0  0  0  0
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 20  8  2  0  0  0  0
 21 14  1  0  0  0  0
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 25 18  1  0  0  0  0
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 27 21  2  0  0  0  0
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 29 28  2  0  0  0  0
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 26 20  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,020)
1020

>  <Formula> (1,020)
C24H24N2O3

>  <MolWeight> (1,020)
388.45896

>  <PCAT_CMPD_ID> (1,020)
WAY-343685

>  <CNC_ID> (1,020)
359319027

>  <transfer_container_id> (1,020)
PTN000000065

>  <COMPOUND_NUMBER> (1,020)
WAY-343685

>  <LOCATION_CODE> (1,020)
PTNCS

>  <AMOUNT_CURRENT> (1,020)
32.6

$$$$
WAY-344912
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
   12.1542   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10  8  2  0  0  0  0
 11  3  2  0  0  0  0
 12 10  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  1  0  0  0  0
  4  7  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,021)
1021

>  <Formula> (1,021)
C12H10BrN3O2

>  <MolWeight> (1,021)
308.1307

>  <PCAT_CMPD_ID> (1,021)
WAY-344912

>  <CNC_ID> (1,021)
359320223

>  <transfer_container_id> (1,021)
PTN000000065

>  <COMPOUND_NUMBER> (1,021)
WAY-344912

>  <LOCATION_CODE> (1,021)
PTNCS

>  <AMOUNT_CURRENT> (1,021)
32.4

$$$$
WAY-310451
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0759   -1.6207    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  4 10  2  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6  9  1  0  0  0  0
 12 15  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,022)
1022

>  <Formula> (1,022)
C17H16BrNO4

>  <MolWeight> (1,022)
378.21724

>  <PCAT_CMPD_ID> (1,022)
WAY-310451

>  <CNC_ID> (1,022)
359314192

>  <transfer_container_id> (1,022)
PTN000000065

>  <COMPOUND_NUMBER> (1,022)
WAY-310451

>  <LOCATION_CODE> (1,022)
PTNCS

>  <AMOUNT_CURRENT> (1,022)
33.6

$$$$
WAY-311967
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.2138    0.2517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 13 19  1  0  0  0  0
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 25 28  1  0  0  0  0
 12 17  2  0  0  0  0
 14 19  2  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,023)
1023

>  <Formula> (1,023)
C23H23ClN2O2

>  <MolWeight> (1,023)
394.89392

>  <PCAT_CMPD_ID> (1,023)
WAY-311967

>  <CNC_ID> (1,023)
359315708

>  <transfer_container_id> (1,023)
PTN000000065

>  <COMPOUND_NUMBER> (1,023)
WAY-311967

>  <LOCATION_CODE> (1,023)
PTNCS

>  <AMOUNT_CURRENT> (1,023)
33.4

$$$$
WAY-344308
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11 12  1  0  0  0  0
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 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
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 16  9  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
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 20 12  2  0  0  0  0
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 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
  3  4  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,024)
1024

>  <Formula> (1,024)
C17H13FN2O4

>  <MolWeight> (1,024)
328.2945232

>  <PCAT_CMPD_ID> (1,024)
WAY-344308

>  <CNC_ID> (1,024)
359319644

>  <transfer_container_id> (1,024)
PTN000000065

>  <COMPOUND_NUMBER> (1,024)
WAY-344308

>  <LOCATION_CODE> (1,024)
PTNCS

>  <AMOUNT_CURRENT> (1,024)
32.6

$$$$
WAY-313315
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,025)
1025

>  <Formula> (1,025)
C14H16N4O3

>  <MolWeight> (1,025)
288.30184

>  <PCAT_CMPD_ID> (1,025)
WAY-313315

>  <CNC_ID> (1,025)
359328351

>  <transfer_container_id> (1,025)
PTN000000067

>  <COMPOUND_NUMBER> (1,025)
WAY-313315

>  <LOCATION_CODE> (1,025)
PTNCS

>  <AMOUNT_CURRENT> (1,025)
33.8

$$$$
WAY-320507
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,026)
1026

>  <Formula> (1,026)
C13H20N2O2

>  <MolWeight> (1,026)
236.3101

>  <PCAT_CMPD_ID> (1,026)
WAY-320507

>  <CNC_ID> (1,026)
359316320

>  <transfer_container_id> (1,026)
PTN000000065

>  <COMPOUND_NUMBER> (1,026)
WAY-320507

>  <LOCATION_CODE> (1,026)
PTNCS

>  <AMOUNT_CURRENT> (1,026)
32.9

$$$$
WAY-312159
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 21 24  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,027)
1027

>  <Formula> (1,027)
C20H26N2O2

>  <MolWeight> (1,027)
326.43264

>  <PCAT_CMPD_ID> (1,027)
WAY-312159

>  <CNC_ID> (1,027)
359315899

>  <transfer_container_id> (1,027)
PTN000000065

>  <COMPOUND_NUMBER> (1,027)
WAY-312159

>  <LOCATION_CODE> (1,027)
PTNCS

>  <AMOUNT_CURRENT> (1,027)
33.7

$$$$
WAY-345200
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  8  2  0  0  0  0
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 14  3  1  0  0  0  0
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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (1,028)
1028

>  <Formula> (1,028)
C16H12Cl2N2O3

>  <MolWeight> (1,028)
351.18408

>  <PCAT_CMPD_ID> (1,028)
WAY-345200

>  <CNC_ID> (1,028)
359320502

>  <transfer_container_id> (1,028)
PTN000000065

>  <COMPOUND_NUMBER> (1,028)
WAY-345200

>  <LOCATION_CODE> (1,028)
PTNCS

>  <AMOUNT_CURRENT> (1,028)
32.3

$$$$
WAY-312249-A
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,029)
1029

>  <Formula> (1,029)
C15H23NO4

>  <MolWeight> (1,029)
281.34742

>  <PCAT_CMPD_ID> (1,029)
WAY-312249-A

>  <CNC_ID> (1,029)
359315989

>  <transfer_container_id> (1,029)
PTN000000065

>  <COMPOUND_NUMBER> (1,029)
WAY-312249-A

>  <LOCATION_CODE> (1,029)
PTNCS

>  <AMOUNT_CURRENT> (1,029)
33.2

$$$$
WAY-311855
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,030)
1030

>  <Formula> (1,030)
C18H17N3O3

>  <MolWeight> (1,030)
323.34588

>  <PCAT_CMPD_ID> (1,030)
WAY-311855

>  <CNC_ID> (1,030)
359315596

>  <transfer_container_id> (1,030)
PTN000000065

>  <COMPOUND_NUMBER> (1,030)
WAY-311855

>  <LOCATION_CODE> (1,030)
PTNCS

>  <AMOUNT_CURRENT> (1,030)
33.7

$$$$
WAY-311930
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  4 10  2  0  0  0  0
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 10 18  1  0  0  0  0
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 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,031)
1031

>  <Formula> (1,031)
C14H15N5O2

>  <MolWeight> (1,031)
285.3012

>  <PCAT_CMPD_ID> (1,031)
WAY-311930

>  <CNC_ID> (1,031)
359315671

>  <transfer_container_id> (1,031)
PTN000000065

>  <COMPOUND_NUMBER> (1,031)
WAY-311930

>  <LOCATION_CODE> (1,031)
PTNCS

>  <AMOUNT_CURRENT> (1,031)
33.4

$$$$
WAY-343706
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.8000   -2.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  5  2  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18  2  2  0  0  0  0
 19  4  2  0  0  0  0
 20  3  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
  4  9  1  0  0  0  0
 19 22  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,032)
1032

>  <Formula> (1,032)
C17H16ClFN2O

>  <MolWeight> (1,032)
318.7731432

>  <PCAT_CMPD_ID> (1,032)
WAY-343706

>  <CNC_ID> (1,032)
359319048

>  <transfer_container_id> (1,032)
PTN000000065

>  <COMPOUND_NUMBER> (1,032)
WAY-343706

>  <LOCATION_CODE> (1,032)
PTNCS

>  <AMOUNT_CURRENT> (1,032)
32.6

$$$$
WAY-343595
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.0552   -0.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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 10 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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 19 23  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,033)
1033

>  <Formula> (1,033)
C19H15NO3

>  <MolWeight> (1,033)
305.3273

>  <PCAT_CMPD_ID> (1,033)
WAY-343595

>  <CNC_ID> (1,033)
359319005

>  <transfer_container_id> (1,033)
PTN000000065

>  <COMPOUND_NUMBER> (1,033)
WAY-343595

>  <LOCATION_CODE> (1,033)
PTNCS

>  <AMOUNT_CURRENT> (1,033)
33

$$$$
WAY-312487
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,034)
1034

>  <Formula> (1,034)
C11H10N2O3S

>  <MolWeight> (1,034)
250.2737

>  <PCAT_CMPD_ID> (1,034)
WAY-312487

>  <CNC_ID> (1,034)
359316227

>  <transfer_container_id> (1,034)
PTN000000065

>  <COMPOUND_NUMBER> (1,034)
WAY-312487

>  <LOCATION_CODE> (1,034)
PTNCS

>  <AMOUNT_CURRENT> (1,034)
33.5

$$$$
WAY-223716-A
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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   -4.8003   -2.6135    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,035)
1035

>  <Formula> (1,035)
C8H7FN4

>  <MolWeight> (1,035)
178.1663832

>  <PCAT_CMPD_ID> (1,035)
WAY-223716-A

>  <CNC_ID> (1,035)
359313840

>  <transfer_container_id> (1,035)
PTN000000065

>  <COMPOUND_NUMBER> (1,035)
WAY-223716-A

>  <LOCATION_CODE> (1,035)
PTNCS

>  <AMOUNT_CURRENT> (1,035)
33.9

$$$$
WAY-311832
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,036)
1036

>  <Formula> (1,036)
C19H21NO4

>  <MolWeight> (1,036)
327.37434

>  <PCAT_CMPD_ID> (1,036)
WAY-311832

>  <CNC_ID> (1,036)
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>  <transfer_container_id> (1,036)
PTN000000065

>  <COMPOUND_NUMBER> (1,036)
WAY-311832

>  <LOCATION_CODE> (1,036)
PTNCS

>  <AMOUNT_CURRENT> (1,036)
33.1

$$$$
WAY-312049
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,037)
1037

>  <Formula> (1,037)
C18H17F3N2O2S

>  <MolWeight> (1,037)
382.3999896

>  <PCAT_CMPD_ID> (1,037)
WAY-312049

>  <CNC_ID> (1,037)
359315790

>  <transfer_container_id> (1,037)
PTN000000065

>  <COMPOUND_NUMBER> (1,037)
WAY-312049

>  <LOCATION_CODE> (1,037)
PTNCS

>  <AMOUNT_CURRENT> (1,037)
33.4

$$$$
WAY-311221
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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 12 14  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,038)
1038

>  <Formula> (1,038)
C18H16N2OS

>  <MolWeight> (1,038)
308.39744

>  <PCAT_CMPD_ID> (1,038)
WAY-311221

>  <CNC_ID> (1,038)
359314962

>  <transfer_container_id> (1,038)
PTN000000065

>  <COMPOUND_NUMBER> (1,038)
WAY-311221

>  <LOCATION_CODE> (1,038)
PTNCS

>  <AMOUNT_CURRENT> (1,038)
33.5

$$$$
WAY-344890
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
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 14 17  1  0  0  0  0
 15  7  1  0  0  0  0
 16 11  1  0  0  0  0
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  5  3  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,039)
1039

>  <Formula> (1,039)
C17H19NO4

>  <MolWeight> (1,039)
301.33706

>  <PCAT_CMPD_ID> (1,039)
WAY-344890

>  <CNC_ID> (1,039)
359320201

>  <transfer_container_id> (1,039)
PTN000000065

>  <COMPOUND_NUMBER> (1,039)
WAY-344890

>  <LOCATION_CODE> (1,039)
PTNCS

>  <AMOUNT_CURRENT> (1,039)
32.5

$$$$
WAY-311868
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  6  8  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,040)
1040

>  <Formula> (1,040)
C12H17N7O2

>  <MolWeight> (1,040)
291.30908

>  <PCAT_CMPD_ID> (1,040)
WAY-311868

>  <CNC_ID> (1,040)
359315609

>  <transfer_container_id> (1,040)
PTN000000065

>  <COMPOUND_NUMBER> (1,040)
WAY-311868

>  <LOCATION_CODE> (1,040)
PTNCS

>  <AMOUNT_CURRENT> (1,040)
33.3

$$$$
WAY-343981
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,041)
1041

>  <Formula> (1,041)
C20H16BrN5O2

>  <MolWeight> (1,041)
438.27734

>  <PCAT_CMPD_ID> (1,041)
WAY-343981

>  <CNC_ID> (1,041)
359319319

>  <transfer_container_id> (1,041)
PTN000000065

>  <COMPOUND_NUMBER> (1,041)
WAY-343981

>  <LOCATION_CODE> (1,041)
PTNCS

>  <AMOUNT_CURRENT> (1,041)
32.1

$$$$
WAY-344913
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,042)
1042

>  <Formula> (1,042)
C20H15F3N2O5S

>  <MolWeight> (1,042)
452.4037096

>  <PCAT_CMPD_ID> (1,042)
WAY-344913

>  <CNC_ID> (1,042)
359320224

>  <transfer_container_id> (1,042)
PTN000000065

>  <COMPOUND_NUMBER> (1,042)
WAY-344913

>  <LOCATION_CODE> (1,042)
PTNCS

>  <AMOUNT_CURRENT> (1,042)
33

$$$$
WAY-238157
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,043)
1043

>  <Formula> (1,043)
C17H17N3O2

>  <MolWeight> (1,043)
295.33578

>  <PCAT_CMPD_ID> (1,043)
WAY-238157

>  <CNC_ID> (1,043)
359313956

>  <transfer_container_id> (1,043)
PTN000000065

>  <COMPOUND_NUMBER> (1,043)
WAY-238157

>  <LOCATION_CODE> (1,043)
PTNCS

>  <AMOUNT_CURRENT> (1,043)
33.4

$$$$
WAY-311824
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,044)
1044

>  <Formula> (1,044)
C13H10FN3O

>  <MolWeight> (1,044)
243.2364032

>  <PCAT_CMPD_ID> (1,044)
WAY-311824

>  <CNC_ID> (1,044)
359315565

>  <transfer_container_id> (1,044)
PTN000000065

>  <COMPOUND_NUMBER> (1,044)
WAY-311824

>  <LOCATION_CODE> (1,044)
PTNCS

>  <AMOUNT_CURRENT> (1,044)
33.4

$$$$
WAY-311460
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,045)
1045

>  <Formula> (1,045)
C16H16ClN3O

>  <MolWeight> (1,045)
301.77074

>  <PCAT_CMPD_ID> (1,045)
WAY-311460

>  <CNC_ID> (1,045)
359315201

>  <transfer_container_id> (1,045)
PTN000000065

>  <COMPOUND_NUMBER> (1,045)
WAY-311460

>  <LOCATION_CODE> (1,045)
PTNCS

>  <AMOUNT_CURRENT> (1,045)
33.4

$$$$
WAY-345121
csChFnd80/10101909502D

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 28 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,046)
1046

>  <Formula> (1,046)
C20H16N4O4

>  <MolWeight> (1,046)
376.36544

>  <PCAT_CMPD_ID> (1,046)
WAY-345121

>  <CNC_ID> (1,046)
359320427

>  <transfer_container_id> (1,046)
PTN000000065

>  <COMPOUND_NUMBER> (1,046)
WAY-345121

>  <LOCATION_CODE> (1,046)
PTNCS

>  <AMOUNT_CURRENT> (1,046)
32.4

$$$$
WAY-345421
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,047)
1047

>  <Formula> (1,047)
C19H18BrN3O3

>  <MolWeight> (1,047)
416.26852

>  <PCAT_CMPD_ID> (1,047)
WAY-345421

>  <CNC_ID> (1,047)
359320691

>  <transfer_container_id> (1,047)
PTN000000065

>  <COMPOUND_NUMBER> (1,047)
WAY-345421

>  <LOCATION_CODE> (1,047)
PTNCS

>  <AMOUNT_CURRENT> (1,047)
32.5

$$$$
WAY-227869
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,048)
1048

>  <Formula> (1,048)
C17H16N2O2

>  <MolWeight> (1,048)
280.32114

>  <PCAT_CMPD_ID> (1,048)
WAY-227869

>  <CNC_ID> (1,048)
359313874

>  <transfer_container_id> (1,048)
PTN000000065

>  <COMPOUND_NUMBER> (1,048)
WAY-227869

>  <LOCATION_CODE> (1,048)
PTNCS

>  <AMOUNT_CURRENT> (1,048)
33.8

$$$$
WAY-310514
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,049)
1049

>  <Formula> (1,049)
C18H19N3O3S

>  <MolWeight> (1,049)
357.42676

>  <PCAT_CMPD_ID> (1,049)
WAY-310514

>  <CNC_ID> (1,049)
359314255

>  <transfer_container_id> (1,049)
PTN000000065

>  <COMPOUND_NUMBER> (1,049)
WAY-310514

>  <LOCATION_CODE> (1,049)
PTNCS

>  <AMOUNT_CURRENT> (1,049)
33.5

$$$$
WAY-311880
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 15 18  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,050)
1050

>  <Formula> (1,050)
C19H17FO3S

>  <MolWeight> (1,050)
344.3998832

>  <PCAT_CMPD_ID> (1,050)
WAY-311880

>  <CNC_ID> (1,050)
359315621

>  <transfer_container_id> (1,050)
PTN000000065

>  <COMPOUND_NUMBER> (1,050)
WAY-311880

>  <LOCATION_CODE> (1,050)
PTNCS

>  <AMOUNT_CURRENT> (1,050)
33.4

$$$$
WAY-345472
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11  4  1  0  0  0  0
 12 16  2  0  0  0  0
 13  9  1  0  0  0  0
 14  5  2  0  0  0  0
 15 13  2  0  0  0  0
 16 21  1  0  0  0  0
 17 11  2  0  0  0  0
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 22  3  1  0  0  0  0
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 26 21  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
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  7  9  2  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,051)
1051

>  <Formula> (1,051)
C19H15F3N2O3S

>  <MolWeight> (1,051)
408.3942096

>  <PCAT_CMPD_ID> (1,051)
WAY-345472

>  <CNC_ID> (1,051)
359320741

>  <transfer_container_id> (1,051)
PTN000000065

>  <COMPOUND_NUMBER> (1,051)
WAY-345472

>  <LOCATION_CODE> (1,051)
PTNCS

>  <AMOUNT_CURRENT> (1,051)
32.4

$$$$
WAY-345411
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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 10  7  1  0  0  0  0
 11 15  2  0  0  0  0
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 13 10  2  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16  4  2  0  0  0  0
 17  5  2  0  0  0  0
 18 21  1  0  0  0  0
 19  8  1  0  0  0  0
 20 11  1  0  0  0  0
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 23 17  1  0  0  0  0
  4  5  1  0  0  0  0
 22 23  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,052)
1052

>  <Formula> (1,052)
C18H19N3OS

>  <MolWeight> (1,052)
325.42796

>  <PCAT_CMPD_ID> (1,052)
WAY-345411

>  <CNC_ID> (1,052)
359320681

>  <transfer_container_id> (1,052)
PTN000000065

>  <COMPOUND_NUMBER> (1,052)
WAY-345411

>  <LOCATION_CODE> (1,052)
PTNCS

>  <AMOUNT_CURRENT> (1,052)
32.8

$$$$
GI-523730
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.9638   -0.2782    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
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 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7  9  2  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,053)
1053

>  <Formula> (1,053)
C11H13N3O2S

>  <MolWeight> (1,053)
251.30482

>  <PCAT_CMPD_ID> (1,053)
GI-523730

>  <CNC_ID> (1,053)
359326774

>  <transfer_container_id> (1,053)
PTN000000067

>  <COMPOUND_NUMBER> (1,053)
GI-523730

>  <LOCATION_CODE> (1,053)
PTNCS

>  <AMOUNT_CURRENT> (1,053)
33.2

$$$$
WAY-311085
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
   10.0093    7.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6249    7.9774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    7.9331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  7 12  1  0  0  0  0
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 10  5  1  0  0  0  0
 11 20  1  0  0  0  0
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 13  1  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  2  0  0  0  0
 20 22  1  0  0  0  0
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 26  7  1  0  0  0  0
 27  8  1  0  0  0  0
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 29 13  1  0  0  0  0
 30 29  2  0  0  0  0
 31 28  1  0  0  0  0
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  6  4  2  0  0  0  0
 32 31  2  0  0  0  0
 20 24  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,054)
1054

>  <Formula> (1,054)
C26H22N4O2

>  <MolWeight> (1,054)
422.47848

>  <PCAT_CMPD_ID> (1,054)
WAY-311085

>  <CNC_ID> (1,054)
359314827

>  <transfer_container_id> (1,054)
PTN000000065

>  <COMPOUND_NUMBER> (1,054)
WAY-311085

>  <LOCATION_CODE> (1,054)
PTNCS

>  <AMOUNT_CURRENT> (1,054)
33.8

$$$$
WAY-312041
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.3793    0.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 15  1  0  0  0  0
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 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,055)
1055

>  <Formula> (1,055)
C11H18N4O

>  <MolWeight> (1,055)
222.28682

>  <PCAT_CMPD_ID> (1,055)
WAY-312041

>  <CNC_ID> (1,055)
359315782

>  <transfer_container_id> (1,055)
PTN000000065

>  <COMPOUND_NUMBER> (1,055)
WAY-312041

>  <LOCATION_CODE> (1,055)
PTNCS

>  <AMOUNT_CURRENT> (1,055)
33.4

$$$$
WAY-311089
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,056)
1056

>  <Formula> (1,056)
C15H26N6O

>  <MolWeight> (1,056)
306.40654

>  <PCAT_CMPD_ID> (1,056)
WAY-311089

>  <CNC_ID> (1,056)
359314831

>  <transfer_container_id> (1,056)
PTN000000065

>  <COMPOUND_NUMBER> (1,056)
WAY-311089

>  <LOCATION_CODE> (1,056)
PTNCS

>  <AMOUNT_CURRENT> (1,056)
33.8

$$$$
WAY-343808
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 21 19  2  0  0  0  0
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M  END
>  <Mol_ID> (1,057)
1057

>  <Formula> (1,057)
C20H15N3O3S

>  <MolWeight> (1,057)
377.4164

>  <PCAT_CMPD_ID> (1,057)
WAY-343808

>  <CNC_ID> (1,057)
359319149

>  <transfer_container_id> (1,057)
PTN000000065

>  <COMPOUND_NUMBER> (1,057)
WAY-343808

>  <LOCATION_CODE> (1,057)
PTNCS

>  <AMOUNT_CURRENT> (1,057)
32.3

$$$$
WAY-312254
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  9  2  0  0  0  0
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 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15 20  1  0  0  0  0
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 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
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  4  5  2  0  0  0  0
 19 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,058)
1058

>  <Formula> (1,058)
C16H22N6O

>  <MolWeight> (1,058)
314.38548

>  <PCAT_CMPD_ID> (1,058)
WAY-312254

>  <CNC_ID> (1,058)
359315994

>  <transfer_container_id> (1,058)
PTN000000065

>  <COMPOUND_NUMBER> (1,058)
WAY-312254

>  <LOCATION_CODE> (1,058)
PTNCS

>  <AMOUNT_CURRENT> (1,058)
33.9

$$$$
WAY-337290
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13 16  2  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
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 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
 19  6  1  0  0  0  0
 20 22  1  0  0  0  0
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M  END
>  <Mol_ID> (1,059)
1059

>  <Formula> (1,059)
C21H23NO6

>  <MolWeight> (1,059)
385.41042

>  <PCAT_CMPD_ID> (1,059)
WAY-337290

>  <CNC_ID> (1,059)
359346542

>  <transfer_container_id> (1,059)
PTN000000075

>  <COMPOUND_NUMBER> (1,059)
WAY-337290

>  <LOCATION_CODE> (1,059)
PTNCS

>  <AMOUNT_CURRENT> (1,059)
32.8

$$$$
CL-370540
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,060)
1060

>  <Formula> (1,060)
C10H9ClN4O2

>  <MolWeight> (1,060)
252.65706

>  <PCAT_CMPD_ID> (1,060)
CL-370540

>  <CNC_ID> (1,060)
359353730

>  <transfer_container_id> (1,060)
PTN000000069

>  <COMPOUND_NUMBER> (1,060)
CL-370540

>  <LOCATION_CODE> (1,060)
PTNCS

>  <AMOUNT_CURRENT> (1,060)
33.3

$$$$
CL-58437
csChFnd80/10101909502D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,061)
1061

>  <Formula> (1,061)
C8H16N2OS

>  <MolWeight> (1,061)
188.29044

>  <PCAT_CMPD_ID> (1,061)
CL-58437

>  <CNC_ID> (1,061)
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>  <transfer_container_id> (1,061)
PTN000000069

>  <COMPOUND_NUMBER> (1,061)
CL-58437

>  <LOCATION_CODE> (1,061)
PTNCS

>  <AMOUNT_CURRENT> (1,061)
33.4

$$$$
GI-568223
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,062)
1062

>  <Formula> (1,062)
C17H18N2O7

>  <MolWeight> (1,062)
362.33402

>  <PCAT_CMPD_ID> (1,062)
GI-568223

>  <CNC_ID> (1,062)
359353859

>  <transfer_container_id> (1,062)
PTN000000069

>  <COMPOUND_NUMBER> (1,062)
GI-568223

>  <LOCATION_CODE> (1,062)
PTNCS

>  <AMOUNT_CURRENT> (1,062)
32.5

$$$$
WAY-112742
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,063)
1063

>  <Formula> (1,063)
C19H14N2O2S

>  <MolWeight> (1,063)
334.39166

>  <PCAT_CMPD_ID> (1,063)
WAY-112742

>  <CNC_ID> (1,063)
359353876

>  <transfer_container_id> (1,063)
PTN000000069

>  <COMPOUND_NUMBER> (1,063)
WAY-112742

>  <LOCATION_CODE> (1,063)
PTNCS

>  <AMOUNT_CURRENT> (1,063)
33.4

$$$$
WAY-115285-A
csChFnd80/10101909502D

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 11  3  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,064)
1064

>  <Formula> (1,064)
C11H17N3O2S

>  <MolWeight> (1,064)
255.33658

>  <PCAT_CMPD_ID> (1,064)
WAY-115285-A

>  <CNC_ID> (1,064)
359353909

>  <transfer_container_id> (1,064)
PTN000000069

>  <COMPOUND_NUMBER> (1,064)
WAY-115285-A

>  <LOCATION_CODE> (1,064)
PTNCS

>  <AMOUNT_CURRENT> (1,064)
33

$$$$
WAY-298495
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,065)
1065

>  <Formula> (1,065)
C18H13N5O4

>  <MolWeight> (1,065)
363.32692

>  <PCAT_CMPD_ID> (1,065)
WAY-298495

>  <CNC_ID> (1,065)
359357489

>  <transfer_container_id> (1,065)
PTN000000069

>  <COMPOUND_NUMBER> (1,065)
WAY-298495

>  <LOCATION_CODE> (1,065)
PTNCS

>  <AMOUNT_CURRENT> (1,065)
33

$$$$
WAY-298547
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,066)
1066

>  <Formula> (1,066)
C11H11Cl2NO3S

>  <MolWeight> (1,066)
308.18094

>  <PCAT_CMPD_ID> (1,066)
WAY-298547

>  <CNC_ID> (1,066)
359357541

>  <transfer_container_id> (1,066)
PTN000000069

>  <COMPOUND_NUMBER> (1,066)
WAY-298547

>  <LOCATION_CODE> (1,066)
PTNCS

>  <AMOUNT_CURRENT> (1,066)
33.1

$$$$
WAY-298611
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,067)
1067

>  <Formula> (1,067)
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>  <MolWeight> (1,067)
246.26186

>  <PCAT_CMPD_ID> (1,067)
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>  <CNC_ID> (1,067)
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>  <transfer_container_id> (1,067)
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>  <COMPOUND_NUMBER> (1,067)
WAY-298611

>  <LOCATION_CODE> (1,067)
PTNCS

>  <AMOUNT_CURRENT> (1,067)
33

$$$$
WAY-298694
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,068)
1068

>  <Formula> (1,068)
C14H9FN2OS2

>  <MolWeight> (1,068)
304.3624632

>  <PCAT_CMPD_ID> (1,068)
WAY-298694

>  <CNC_ID> (1,068)
359357688

>  <transfer_container_id> (1,068)
PTN000000069

>  <COMPOUND_NUMBER> (1,068)
WAY-298694

>  <LOCATION_CODE> (1,068)
PTNCS

>  <AMOUNT_CURRENT> (1,068)
33.5

$$$$
WAY-298974
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,069)
1069

>  <Formula> (1,069)
C21H19NO7

>  <MolWeight> (1,069)
397.37806

>  <PCAT_CMPD_ID> (1,069)
WAY-298974

>  <CNC_ID> (1,069)
359357968

>  <transfer_container_id> (1,069)
PTN000000069

>  <COMPOUND_NUMBER> (1,069)
WAY-298974

>  <LOCATION_CODE> (1,069)
PTNCS

>  <AMOUNT_CURRENT> (1,069)
33.4

$$$$
WAY-299037
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,070)
1070

>  <Formula> (1,070)
C13H17N5O

>  <MolWeight> (1,070)
259.30698

>  <PCAT_CMPD_ID> (1,070)
WAY-299037

>  <CNC_ID> (1,070)
359358031

>  <transfer_container_id> (1,070)
PTN000000069

>  <COMPOUND_NUMBER> (1,070)
WAY-299037

>  <LOCATION_CODE> (1,070)
PTNCS

>  <AMOUNT_CURRENT> (1,070)
33.3

$$$$
WAY-299094
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,071)
1071

>  <Formula> (1,071)
C12H15N3O2S

>  <MolWeight> (1,071)
265.3314

>  <PCAT_CMPD_ID> (1,071)
WAY-299094

>  <CNC_ID> (1,071)
359358088

>  <transfer_container_id> (1,071)
PTN000000069

>  <COMPOUND_NUMBER> (1,071)
WAY-299094

>  <LOCATION_CODE> (1,071)
PTNCS

>  <AMOUNT_CURRENT> (1,071)
33.2

$$$$
WAY-299104
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,072)
1072

>  <Formula> (1,072)
C16H19N3O4

>  <MolWeight> (1,072)
317.33976

>  <PCAT_CMPD_ID> (1,072)
WAY-299104

>  <CNC_ID> (1,072)
359358098

>  <transfer_container_id> (1,072)
PTN000000069

>  <COMPOUND_NUMBER> (1,072)
WAY-299104

>  <LOCATION_CODE> (1,072)
PTNCS

>  <AMOUNT_CURRENT> (1,072)
33.2

$$$$
WAY-299114
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,073)
1073

>  <Formula> (1,073)
C21H22N4O2S

>  <MolWeight> (1,073)
394.48998

>  <PCAT_CMPD_ID> (1,073)
WAY-299114

>  <CNC_ID> (1,073)
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>  <transfer_container_id> (1,073)
PTN000000069

>  <COMPOUND_NUMBER> (1,073)
WAY-299114

>  <LOCATION_CODE> (1,073)
PTNCS

>  <AMOUNT_CURRENT> (1,073)
33.1

$$$$
WAY-299234
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,074)
1074

>  <Formula> (1,074)
C21H21N3O4S

>  <MolWeight> (1,074)
411.47414

>  <PCAT_CMPD_ID> (1,074)
WAY-299234

>  <CNC_ID> (1,074)
359358228

>  <transfer_container_id> (1,074)
PTN000000069

>  <COMPOUND_NUMBER> (1,074)
WAY-299234

>  <LOCATION_CODE> (1,074)
PTNCS

>  <AMOUNT_CURRENT> (1,074)
33.1

$$$$
WAY-299306
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,075)
1075

>  <Formula> (1,075)
C11H15NOS

>  <MolWeight> (1,075)
209.3079

>  <PCAT_CMPD_ID> (1,075)
WAY-299306

>  <CNC_ID> (1,075)
359358300

>  <transfer_container_id> (1,075)
PTN000000069

>  <COMPOUND_NUMBER> (1,075)
WAY-299306

>  <LOCATION_CODE> (1,075)
PTNCS

>  <AMOUNT_CURRENT> (1,075)
33.2

$$$$
WAY-299402
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,076)
1076

>  <Formula> (1,076)
C16H11N3O6

>  <MolWeight> (1,076)
341.27504

>  <PCAT_CMPD_ID> (1,076)
WAY-299402

>  <CNC_ID> (1,076)
359358396

>  <transfer_container_id> (1,076)
PTN000000069

>  <COMPOUND_NUMBER> (1,076)
WAY-299402

>  <LOCATION_CODE> (1,076)
PTNCS

>  <AMOUNT_CURRENT> (1,076)
33.3

$$$$
WAY-299425-A
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,077)
1077

>  <Formula> (1,077)
C17H20N2O

>  <MolWeight> (1,077)
268.3535

>  <PCAT_CMPD_ID> (1,077)
WAY-299425-A

>  <CNC_ID> (1,077)
359358419

>  <transfer_container_id> (1,077)
PTN000000069

>  <COMPOUND_NUMBER> (1,077)
WAY-299425-A

>  <LOCATION_CODE> (1,077)
PTNCS

>  <AMOUNT_CURRENT> (1,077)
33.2

$$$$
WAY-299508
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  5  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,078)
1078

>  <Formula> (1,078)
C10H10N4OS2

>  <MolWeight> (1,078)
266.3426

>  <PCAT_CMPD_ID> (1,078)
WAY-299508

>  <CNC_ID> (1,078)
359358502

>  <transfer_container_id> (1,078)
PTN000000069

>  <COMPOUND_NUMBER> (1,078)
WAY-299508

>  <LOCATION_CODE> (1,078)
PTNCS

>  <AMOUNT_CURRENT> (1,078)
33.5

$$$$
WAY-299535
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,079)
1079

>  <Formula> (1,079)
C18H17ClN2O2S

>  <MolWeight> (1,079)
360.85778

>  <PCAT_CMPD_ID> (1,079)
WAY-299535

>  <CNC_ID> (1,079)
359358529

>  <transfer_container_id> (1,079)
PTN000000069

>  <COMPOUND_NUMBER> (1,079)
WAY-299535

>  <LOCATION_CODE> (1,079)
PTNCS

>  <AMOUNT_CURRENT> (1,079)
33.4

$$$$
WAY-382548
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.1998    0.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  1  0  0  0  0
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 12  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,080)
1080

>  <Formula> (1,080)
C14H18N2O

>  <MolWeight> (1,080)
230.30552

>  <PCAT_CMPD_ID> (1,080)
WAY-382548

>  <CNC_ID> (1,080)
359360712

>  <transfer_container_id> (1,080)
PTN000000069

>  <COMPOUND_NUMBER> (1,080)
WAY-382548

>  <LOCATION_CODE> (1,080)
PTNCS

>  <AMOUNT_CURRENT> (1,080)
32.8

$$$$
WAY-382579
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 12 14  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,081)
1081

>  <Formula> (1,081)
C19H15FO3

>  <MolWeight> (1,081)
310.3190032

>  <PCAT_CMPD_ID> (1,081)
WAY-382579

>  <CNC_ID> (1,081)
359360741

>  <transfer_container_id> (1,081)
PTN000000069

>  <COMPOUND_NUMBER> (1,081)
WAY-382579

>  <LOCATION_CODE> (1,081)
PTNCS

>  <AMOUNT_CURRENT> (1,081)
32.2

$$$$
WAY-382613
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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 13  7  1  0  0  0  0
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 17  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,082)
1082

>  <Formula> (1,082)
C18H21NO3

>  <MolWeight> (1,082)
299.36424

>  <PCAT_CMPD_ID> (1,082)
WAY-382613

>  <CNC_ID> (1,082)
359360774

>  <transfer_container_id> (1,082)
PTN000000069

>  <COMPOUND_NUMBER> (1,082)
WAY-382613

>  <LOCATION_CODE> (1,082)
PTNCS

>  <AMOUNT_CURRENT> (1,082)
32.7

$$$$
WAY-382623
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,083)
1083

>  <Formula> (1,083)
C12H12N2OS2

>  <MolWeight> (1,083)
264.36648

>  <PCAT_CMPD_ID> (1,083)
WAY-382623

>  <CNC_ID> (1,083)
359360784

>  <transfer_container_id> (1,083)
PTN000000069

>  <COMPOUND_NUMBER> (1,083)
WAY-382623

>  <LOCATION_CODE> (1,083)
PTNCS

>  <AMOUNT_CURRENT> (1,083)
32.5

$$$$
WAY-382688
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,084)
1084

>  <Formula> (1,084)
C18H16N2O3

>  <MolWeight> (1,084)
308.33124

>  <PCAT_CMPD_ID> (1,084)
WAY-382688

>  <CNC_ID> (1,084)
359360847

>  <transfer_container_id> (1,084)
PTN000000069

>  <COMPOUND_NUMBER> (1,084)
WAY-382688

>  <LOCATION_CODE> (1,084)
PTNCS

>  <AMOUNT_CURRENT> (1,084)
32.1

$$$$
WAY-382777
csChFnd80/10101909502D

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 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
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 13  7  2  0  0  0  0
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 16  2  2  0  0  0  0
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 22  2  1  0  0  0  0
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 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,085)
1085

>  <Formula> (1,085)
C20H20N2O4S2

>  <MolWeight> (1,085)
416.5138

>  <PCAT_CMPD_ID> (1,085)
WAY-382777

>  <CNC_ID> (1,085)
359360936

>  <transfer_container_id> (1,085)
PTN000000069

>  <COMPOUND_NUMBER> (1,085)
WAY-382777

>  <LOCATION_CODE> (1,085)
PTNCS

>  <AMOUNT_CURRENT> (1,085)
32.7

$$$$
WAY-384231
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 12  9  1  0  0  0  0
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 18  5  2  0  0  0  0
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 16  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,086)
1086

>  <Formula> (1,086)
C15H14N4O2

>  <MolWeight> (1,086)
282.29726

>  <PCAT_CMPD_ID> (1,086)
WAY-384231

>  <CNC_ID> (1,086)
359361058

>  <transfer_container_id> (1,086)
PTN000000069

>  <COMPOUND_NUMBER> (1,086)
WAY-384231

>  <LOCATION_CODE> (1,086)
PTNCS

>  <AMOUNT_CURRENT> (1,086)
32.8

$$$$
CL-416556
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,087)
1087

>  <Formula> (1,087)
C20H23NO

>  <MolWeight> (1,087)
293.40272

>  <PCAT_CMPD_ID> (1,087)
CL-416556

>  <CNC_ID> (1,087)
359367457

>  <transfer_container_id> (1,087)
PTN000000070

>  <COMPOUND_NUMBER> (1,087)
CL-416556

>  <LOCATION_CODE> (1,087)
PTNCS

>  <AMOUNT_CURRENT> (1,087)
33.5

$$$$
CL-87975
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,088)
1088

>  <Formula> (1,088)
C14H8O4

>  <MolWeight> (1,088)
240.21092

>  <PCAT_CMPD_ID> (1,088)
CL-87975

>  <CNC_ID> (1,088)
359367511

>  <transfer_container_id> (1,088)
PTN000000070

>  <COMPOUND_NUMBER> (1,088)
CL-87975

>  <LOCATION_CODE> (1,088)
PTNCS

>  <AMOUNT_CURRENT> (1,088)
33.2

$$$$
WAY-118385
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,089)
1089

>  <Formula> (1,089)
C8H6N4S2

>  <MolWeight> (1,089)
222.29004

>  <PCAT_CMPD_ID> (1,089)
WAY-118385

>  <CNC_ID> (1,089)
359367636

>  <transfer_container_id> (1,089)
PTN000000070

>  <COMPOUND_NUMBER> (1,089)
WAY-118385

>  <LOCATION_CODE> (1,089)
PTNCS

>  <AMOUNT_CURRENT> (1,089)
33.3

$$$$
WAY-119148
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,090)
1090

>  <Formula> (1,090)
C13H13NO2

>  <MolWeight> (1,090)
215.24782

>  <PCAT_CMPD_ID> (1,090)
WAY-119148

>  <CNC_ID> (1,090)
359367658

>  <transfer_container_id> (1,090)
PTN000000070

>  <COMPOUND_NUMBER> (1,090)
WAY-119148

>  <LOCATION_CODE> (1,090)
PTNCS

>  <AMOUNT_CURRENT> (1,090)
33.2

$$$$
WAY-235035
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
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 19 20  1  0  0  0  0
  8 11  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,091)
1091

>  <Formula> (1,091)
C13H13N3O4

>  <MolWeight> (1,091)
275.26002

>  <PCAT_CMPD_ID> (1,091)
WAY-235035

>  <CNC_ID> (1,091)
359367839

>  <transfer_container_id> (1,091)
PTN000000070

>  <COMPOUND_NUMBER> (1,091)
WAY-235035

>  <LOCATION_CODE> (1,091)
PTNCS

>  <AMOUNT_CURRENT> (1,091)
33.4

$$$$
WAY-300022
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,092)
1092

>  <Formula> (1,092)
C23H21NO

>  <MolWeight> (1,092)
327.41894

>  <PCAT_CMPD_ID> (1,092)
WAY-300022

>  <CNC_ID> (1,092)
359370700

>  <transfer_container_id> (1,092)
PTN000000070

>  <COMPOUND_NUMBER> (1,092)
WAY-300022

>  <LOCATION_CODE> (1,092)
PTNCS

>  <AMOUNT_CURRENT> (1,092)
33.4

$$$$
WAY-300056
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 19 21  1  0  0  0  0
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  5  6  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,093)
1093

>  <Formula> (1,093)
C16H21N3O2S

>  <MolWeight> (1,093)
319.42184

>  <PCAT_CMPD_ID> (1,093)
WAY-300056

>  <CNC_ID> (1,093)
359370731

>  <transfer_container_id> (1,093)
PTN000000070

>  <COMPOUND_NUMBER> (1,093)
WAY-300056

>  <LOCATION_CODE> (1,093)
PTNCS

>  <AMOUNT_CURRENT> (1,093)
33.4

$$$$
WAY-300083
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 18 24  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,094)
1094

>  <Formula> (1,094)
C23H18N2O2

>  <MolWeight> (1,094)
354.40122

>  <PCAT_CMPD_ID> (1,094)
WAY-300083

>  <CNC_ID> (1,094)
359370755

>  <transfer_container_id> (1,094)
PTN000000070

>  <COMPOUND_NUMBER> (1,094)
WAY-300083

>  <LOCATION_CODE> (1,094)
PTNCS

>  <AMOUNT_CURRENT> (1,094)
33.1

$$$$
WAY-300148
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,095)
1095

>  <Formula> (1,095)
C17H19NO2S

>  <MolWeight> (1,095)
301.40326

>  <PCAT_CMPD_ID> (1,095)
WAY-300148

>  <CNC_ID> (1,095)
359370812

>  <transfer_container_id> (1,095)
PTN000000070

>  <COMPOUND_NUMBER> (1,095)
WAY-300148

>  <LOCATION_CODE> (1,095)
PTNCS

>  <AMOUNT_CURRENT> (1,095)
33.2

$$$$
WAY-300256
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,096)
1096

>  <Formula> (1,096)
C22H21NO3

>  <MolWeight> (1,096)
347.40704

>  <PCAT_CMPD_ID> (1,096)
WAY-300256

>  <CNC_ID> (1,096)
359370908

>  <transfer_container_id> (1,096)
PTN000000070

>  <COMPOUND_NUMBER> (1,096)
WAY-300256

>  <LOCATION_CODE> (1,096)
PTNCS

>  <AMOUNT_CURRENT> (1,096)
33.3

$$$$
WAY-299770
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,097)
1097

>  <Formula> (1,097)
C21H17NO4S

>  <MolWeight> (1,097)
379.42898

>  <PCAT_CMPD_ID> (1,097)
WAY-299770

>  <CNC_ID> (1,097)
359370447

>  <transfer_container_id> (1,097)
PTN000000070

>  <COMPOUND_NUMBER> (1,097)
WAY-299770

>  <LOCATION_CODE> (1,097)
PTNCS

>  <AMOUNT_CURRENT> (1,097)
33.2

$$$$
WAY-299986
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,098)
1098

>  <Formula> (1,098)
C20H23NO2

>  <MolWeight> (1,098)
309.40212

>  <PCAT_CMPD_ID> (1,098)
WAY-299986

>  <CNC_ID> (1,098)
359370664

>  <transfer_container_id> (1,098)
PTN000000070

>  <COMPOUND_NUMBER> (1,098)
WAY-299986

>  <LOCATION_CODE> (1,098)
PTNCS

>  <AMOUNT_CURRENT> (1,098)
33.4

$$$$
WAY-300276
csChFnd80/10101909502D

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>  <Mol_ID> (1,099)
1099

>  <Formula> (1,099)
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>  <MolWeight> (1,099)
263.35858

>  <PCAT_CMPD_ID> (1,099)
WAY-300276

>  <CNC_ID> (1,099)
359370928

>  <transfer_container_id> (1,099)
PTN000000070

>  <COMPOUND_NUMBER> (1,099)
WAY-300276

>  <LOCATION_CODE> (1,099)
PTNCS

>  <AMOUNT_CURRENT> (1,099)
33.2

$$$$
WAY-300346
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,100)
1100

>  <Formula> (1,100)
C16H14FN5O

>  <MolWeight> (1,100)
311.3136632

>  <PCAT_CMPD_ID> (1,100)
WAY-300346

>  <CNC_ID> (1,100)
359370992

>  <transfer_container_id> (1,100)
PTN000000070

>  <COMPOUND_NUMBER> (1,100)
WAY-300346

>  <LOCATION_CODE> (1,100)
PTNCS

>  <AMOUNT_CURRENT> (1,100)
33.3

$$$$
WAY-300350
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,101)
1101

>  <Formula> (1,101)
C15H29NO3

>  <MolWeight> (1,101)
271.39566

>  <PCAT_CMPD_ID> (1,101)
WAY-300350

>  <CNC_ID> (1,101)
359370994

>  <transfer_container_id> (1,101)
PTN000000070

>  <COMPOUND_NUMBER> (1,101)
WAY-300350

>  <LOCATION_CODE> (1,101)
PTNCS

>  <AMOUNT_CURRENT> (1,101)
33.2

$$$$
WAY-300378-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,102)
1102

>  <Formula> (1,102)
C17H25N

>  <MolWeight> (1,102)
243.3871

>  <PCAT_CMPD_ID> (1,102)
WAY-300378-A

>  <CNC_ID> (1,102)
359371021

>  <transfer_container_id> (1,102)
PTN000000070

>  <COMPOUND_NUMBER> (1,102)
WAY-300378-A

>  <LOCATION_CODE> (1,102)
PTNCS

>  <AMOUNT_CURRENT> (1,102)
33.5

$$$$
WAY-300391
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,103)
1103

>  <Formula> (1,103)
C24H26N2O3S

>  <MolWeight> (1,103)
422.53984

>  <PCAT_CMPD_ID> (1,103)
WAY-300391

>  <CNC_ID> (1,103)
359371034

>  <transfer_container_id> (1,103)
PTN000000070

>  <COMPOUND_NUMBER> (1,103)
WAY-300391

>  <LOCATION_CODE> (1,103)
PTNCS

>  <AMOUNT_CURRENT> (1,103)
33.5

$$$$
WAY-300394
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,104)
1104

>  <Formula> (1,104)
C15H12N2O2S

>  <MolWeight> (1,104)
284.33298

>  <PCAT_CMPD_ID> (1,104)
WAY-300394

>  <CNC_ID> (1,104)
359371037

>  <transfer_container_id> (1,104)
PTN000000070

>  <COMPOUND_NUMBER> (1,104)
WAY-300394

>  <LOCATION_CODE> (1,104)
PTNCS

>  <AMOUNT_CURRENT> (1,104)
33.2

$$$$
WAY-300447
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,105)
1105

>  <Formula> (1,105)
C15H13N3O3

>  <MolWeight> (1,105)
283.28202

>  <PCAT_CMPD_ID> (1,105)
WAY-300447

>  <CNC_ID> (1,105)
359371090

>  <transfer_container_id> (1,105)
PTN000000070

>  <COMPOUND_NUMBER> (1,105)
WAY-300447

>  <LOCATION_CODE> (1,105)
PTNCS

>  <AMOUNT_CURRENT> (1,105)
33.2

$$$$
WAY-300514
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 13 15  2  0  0  0  0
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  5  8  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,106)
1106

>  <Formula> (1,106)
C11H12N4O3

>  <MolWeight> (1,106)
248.23798

>  <PCAT_CMPD_ID> (1,106)
WAY-300514

>  <CNC_ID> (1,106)
359371157

>  <transfer_container_id> (1,106)
PTN000000070

>  <COMPOUND_NUMBER> (1,106)
WAY-300514

>  <LOCATION_CODE> (1,106)
PTNCS

>  <AMOUNT_CURRENT> (1,106)
33.3

$$$$
WAY-300546
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 27 29  1  0  0  0  0
  7 12  1  0  0  0  0
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 23 24  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,107)
1107

>  <Formula> (1,107)
C23H25N3O3

>  <MolWeight> (1,107)
391.4629

>  <PCAT_CMPD_ID> (1,107)
WAY-300546

>  <CNC_ID> (1,107)
359371189

>  <transfer_container_id> (1,107)
PTN000000070

>  <COMPOUND_NUMBER> (1,107)
WAY-300546

>  <LOCATION_CODE> (1,107)
PTNCS

>  <AMOUNT_CURRENT> (1,107)
33.1

$$$$
WAY-300550
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,108)
1108

>  <Formula> (1,108)
C16H16BrNO5S2

>  <MolWeight> (1,108)
446.33594

>  <PCAT_CMPD_ID> (1,108)
WAY-300550

>  <CNC_ID> (1,108)
359371193

>  <transfer_container_id> (1,108)
PTN000000070

>  <COMPOUND_NUMBER> (1,108)
WAY-300550

>  <LOCATION_CODE> (1,108)
PTNCS

>  <AMOUNT_CURRENT> (1,108)
33.4

$$$$
WAY-300575
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,109)
1109

>  <Formula> (1,109)
C16H25NO2

>  <MolWeight> (1,109)
263.3752

>  <PCAT_CMPD_ID> (1,109)
WAY-300575

>  <CNC_ID> (1,109)
359371218

>  <transfer_container_id> (1,109)
PTN000000070

>  <COMPOUND_NUMBER> (1,109)
WAY-300575

>  <LOCATION_CODE> (1,109)
PTNCS

>  <AMOUNT_CURRENT> (1,109)
33.3

$$$$
WAY-301534
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,110)
1110

>  <Formula> (1,110)
C16H13N3O2

>  <MolWeight> (1,110)
279.29332

>  <PCAT_CMPD_ID> (1,110)
WAY-301534

>  <CNC_ID> (1,110)
359371872

>  <transfer_container_id> (1,110)
PTN000000070

>  <COMPOUND_NUMBER> (1,110)
WAY-301534

>  <LOCATION_CODE> (1,110)
PTNCS

>  <AMOUNT_CURRENT> (1,110)
33.3

$$$$
WAY-301575
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,111)
1111

>  <Formula> (1,111)
C19H21NO

>  <MolWeight> (1,111)
279.37614

>  <PCAT_CMPD_ID> (1,111)
WAY-301575

>  <CNC_ID> (1,111)
359371913

>  <transfer_container_id> (1,111)
PTN000000070

>  <COMPOUND_NUMBER> (1,111)
WAY-301575

>  <LOCATION_CODE> (1,111)
PTNCS

>  <AMOUNT_CURRENT> (1,111)
33.3

$$$$
WAY-386161
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,112)
1112

>  <Formula> (1,112)
C13H7ClO2S

>  <MolWeight> (1,112)
262.71148

>  <PCAT_CMPD_ID> (1,112)
WAY-386161

>  <CNC_ID> (1,112)
359372171

>  <transfer_container_id> (1,112)
PTN000000070

>  <COMPOUND_NUMBER> (1,112)
WAY-386161

>  <LOCATION_CODE> (1,112)
PTNCS

>  <AMOUNT_CURRENT> (1,112)
32.5

$$$$
WAY-386398
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,113)
1113

>  <Formula> (1,113)
C21H15ClN2O2S2

>  <MolWeight> (1,113)
426.939

>  <PCAT_CMPD_ID> (1,113)
WAY-386398

>  <CNC_ID> (1,113)
359372199

>  <transfer_container_id> (1,113)
PTN000000070

>  <COMPOUND_NUMBER> (1,113)
WAY-386398

>  <LOCATION_CODE> (1,113)
PTNCS

>  <AMOUNT_CURRENT> (1,113)
32.5

$$$$
WAY-386477
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,114)
1114

>  <Formula> (1,114)
C13H11N3O3S

>  <MolWeight> (1,114)
289.30974

>  <PCAT_CMPD_ID> (1,114)
WAY-386477

>  <CNC_ID> (1,114)
359372278

>  <transfer_container_id> (1,114)
PTN000000070

>  <COMPOUND_NUMBER> (1,114)
WAY-386477

>  <LOCATION_CODE> (1,114)
PTNCS

>  <AMOUNT_CURRENT> (1,114)
32.1

$$$$
WAY-386513
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,115)
1115

>  <Formula> (1,115)
C15H9N3O

>  <MolWeight> (1,115)
247.25146

>  <PCAT_CMPD_ID> (1,115)
WAY-386513

>  <CNC_ID> (1,115)
359372313

>  <transfer_container_id> (1,115)
PTN000000070

>  <COMPOUND_NUMBER> (1,115)
WAY-386513

>  <LOCATION_CODE> (1,115)
PTNCS

>  <AMOUNT_CURRENT> (1,115)
32.3

$$$$
WAY-387288
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 12  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,116)
1116

>  <Formula> (1,116)
C13H14N2S

>  <MolWeight> (1,116)
230.32866

>  <PCAT_CMPD_ID> (1,116)
WAY-387288

>  <CNC_ID> (1,116)
359372371

>  <transfer_container_id> (1,116)
PTN000000070

>  <COMPOUND_NUMBER> (1,116)
WAY-387288

>  <LOCATION_CODE> (1,116)
PTNCS

>  <AMOUNT_CURRENT> (1,116)
32.8

$$$$
WAY-388226
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  2  0  0  0  0
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 15  7  2  0  0  0  0
 16 17  2  0  0  0  0
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 18  9  1  0  0  0  0
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 20  9  1  0  0  0  0
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  5  6  1  0  0  0  0
 14 13  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,117)
1117

>  <Formula> (1,117)
C14H9BrF3N3O2S

>  <MolWeight> (1,117)
420.2043696

>  <PCAT_CMPD_ID> (1,117)
WAY-388226

>  <CNC_ID> (1,117)
359372389

>  <transfer_container_id> (1,117)
PTN000000070

>  <COMPOUND_NUMBER> (1,117)
WAY-388226

>  <LOCATION_CODE> (1,117)
PTNCS

>  <AMOUNT_CURRENT> (1,117)
32.6

$$$$
WAY-388249-A
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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 14 20  1  0  0  0  0
 15  1  1  0  0  0  0
 16 21  1  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20 11  1  0  0  0  0
 21 14  1  0  0  0  0
  7  6  2  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,118)
1118

>  <Formula> (1,118)
C18H25NO2

>  <MolWeight> (1,118)
287.3966

>  <PCAT_CMPD_ID> (1,118)
WAY-388249-A

>  <CNC_ID> (1,118)
359372393

>  <transfer_container_id> (1,118)
PTN000000070

>  <COMPOUND_NUMBER> (1,118)
WAY-388249-A

>  <LOCATION_CODE> (1,118)
PTNCS

>  <AMOUNT_CURRENT> (1,118)
32.9

$$$$
WAY-388588
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 14 10  2  0  0  0  0
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 24 19  1  0  0  0  0
  5  7  1  0  0  0  0
 20 24  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,119)
1119

>  <Formula> (1,119)
C17H16N2O3S2

>  <MolWeight> (1,119)
360.45054

>  <PCAT_CMPD_ID> (1,119)
WAY-388588

>  <CNC_ID> (1,119)
359372726

>  <transfer_container_id> (1,119)
PTN000000070

>  <COMPOUND_NUMBER> (1,119)
WAY-388588

>  <LOCATION_CODE> (1,119)
PTNCS

>  <AMOUNT_CURRENT> (1,119)
32.3

$$$$
WAY-388613
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  9  1  0  0  0  0
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 13 11  1  0  0  0  0
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 16  7  2  0  0  0  0
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 18  3  1  0  0  0  0
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 25 24  2  0  0  0  0
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 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,120)
1120

>  <Formula> (1,120)
C17H14Br2N2O3S

>  <MolWeight> (1,120)
486.17766

>  <PCAT_CMPD_ID> (1,120)
WAY-388613

>  <CNC_ID> (1,120)
359372751

>  <transfer_container_id> (1,120)
PTN000000070

>  <COMPOUND_NUMBER> (1,120)
WAY-388613

>  <LOCATION_CODE> (1,120)
PTNCS

>  <AMOUNT_CURRENT> (1,120)
32.8

$$$$
WAY-388617
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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    8.7917   -7.5042    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 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  2  0  0  0  0
 13  2  2  0  0  0  0
 14 16  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
  9  5  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,121)
1121

>  <Formula> (1,121)
C15H15Cl2NO2

>  <MolWeight> (1,121)
312.1911

>  <PCAT_CMPD_ID> (1,121)
WAY-388617

>  <CNC_ID> (1,121)
359372755

>  <transfer_container_id> (1,121)
PTN000000070

>  <COMPOUND_NUMBER> (1,121)
WAY-388617

>  <LOCATION_CODE> (1,121)
PTNCS

>  <AMOUNT_CURRENT> (1,121)
32.4

$$$$
WAY-388627
csChFnd80/10101909502D

 28 29  0  0  0  0  0  0  0  0999 V2000
   12.3792  -13.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000  -13.4792    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6 14  1  0  0  0  0
  7  6  1  0  0  0  0
  8 13  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 12  9  2  0  0  0  0
 13  5  1  0  0  0  0
 14  8  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17  1  1  0  0  0  0
 18 12  1  0  0  0  0
 19  2  1  0  0  0  0
 20 18  1  0  0  0  0
 21  3  1  0  0  0  0
 22 23  2  0  0  0  0
 23  9  1  0  0  0  0
 24  8  1  0  0  0  0
 25 22  1  0  0  0  0
 26 20  1  0  0  0  0
 27 19  2  0  0  0  0
 28 27  1  0  0  0  0
 28 21  2  0  0  0  0
 18 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,122)
1122

>  <Formula> (1,122)
C19H20F3N3O3

>  <MolWeight> (1,122)
395.3756096

>  <PCAT_CMPD_ID> (1,122)
WAY-388627

>  <CNC_ID> (1,122)
359372765

>  <transfer_container_id> (1,122)
PTN000000070

>  <COMPOUND_NUMBER> (1,122)
WAY-388627

>  <LOCATION_CODE> (1,122)
PTNCS

>  <AMOUNT_CURRENT> (1,122)
32.1

$$$$
WAY-388639
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 21  2  0  0  0  0
 17  1  2  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  5  2  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  2  0  0  0  0
 25 22  1  0  0  0  0
 12 13  2  0  0  0  0
 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,123)
1123

>  <Formula> (1,123)
C20H17NO4

>  <MolWeight> (1,123)
335.35328

>  <PCAT_CMPD_ID> (1,123)
WAY-388639

>  <CNC_ID> (1,123)
359372777

>  <transfer_container_id> (1,123)
PTN000000070

>  <COMPOUND_NUMBER> (1,123)
WAY-388639

>  <LOCATION_CODE> (1,123)
PTNCS

>  <AMOUNT_CURRENT> (1,123)
33

$$$$
WAY-388659
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4 14  1  0  0  0  0
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  8  1  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  2  2  0  0  0  0
 12 20  2  0  0  0  0
 13  3  2  0  0  0  0
 14 10  1  0  0  0  0
 15  4  2  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
 18 24  2  0  0  0  0
 19  3  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  4  1  0  0  0  0
 23  7  1  0  0  0  0
 24 20  1  0  0  0  0
 25  5  1  0  0  0  0
 17  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,124)
1124

>  <Formula> (1,124)
C17H21ClN2O5

>  <MolWeight> (1,124)
368.81204

>  <PCAT_CMPD_ID> (1,124)
WAY-388659

>  <CNC_ID> (1,124)
359372797

>  <transfer_container_id> (1,124)
PTN000000070

>  <COMPOUND_NUMBER> (1,124)
WAY-388659

>  <LOCATION_CODE> (1,124)
PTNCS

>  <AMOUNT_CURRENT> (1,124)
32.2

$$$$
WAY-388661
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 16 20  2  0  0  0  0
 17  8  1  0  0  0  0
 18  8  2  0  0  0  0
 19 22  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
  4  5  1  0  0  0  0
 19 21  1  0  0  0  0
  6  9  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,125)
1125

>  <Formula> (1,125)
C18H12FNO2S

>  <MolWeight> (1,125)
325.3567832

>  <PCAT_CMPD_ID> (1,125)
WAY-388661

>  <CNC_ID> (1,125)
359372799

>  <transfer_container_id> (1,125)
PTN000000070

>  <COMPOUND_NUMBER> (1,125)
WAY-388661

>  <LOCATION_CODE> (1,125)
PTNCS

>  <AMOUNT_CURRENT> (1,125)
32.3

$$$$
WAY-388663
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  2  0  0  0  0
 14  2  1  0  0  0  0
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 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,126)
1126

>  <Formula> (1,126)
C14H19NO4S

>  <MolWeight> (1,126)
297.36996

>  <PCAT_CMPD_ID> (1,126)
WAY-388663

>  <CNC_ID> (1,126)
359372801

>  <transfer_container_id> (1,126)
PTN000000070

>  <COMPOUND_NUMBER> (1,126)
WAY-388663

>  <LOCATION_CODE> (1,126)
PTNCS

>  <AMOUNT_CURRENT> (1,126)
32.5

$$$$
WAY-388670
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  2  0  0  0  0
 17 13  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
  8  4  1  0  0  0  0
  6  9  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,127)
1127

>  <Formula> (1,127)
C15H13ClN2S2

>  <MolWeight> (1,127)
320.86012

>  <PCAT_CMPD_ID> (1,127)
WAY-388670

>  <CNC_ID> (1,127)
359372808

>  <transfer_container_id> (1,127)
PTN000000070

>  <COMPOUND_NUMBER> (1,127)
WAY-388670

>  <LOCATION_CODE> (1,127)
PTNCS

>  <AMOUNT_CURRENT> (1,127)
32.6

$$$$
WAY-388672
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15  6  1  0  0  0  0
 16  2  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19  9  2  0  0  0  0
 20  9  1  0  0  0  0
 21 15  1  0  0  0  0
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 25 20  2  0  0  0  0
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 27 25  1  0  0  0  0
 26 22  2  0  0  0  0
 27 24  2  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,128)
1128

>  <Formula> (1,128)
C23H22BrNO2

>  <MolWeight> (1,128)
424.33028

>  <PCAT_CMPD_ID> (1,128)
WAY-388672

>  <CNC_ID> (1,128)
359372810

>  <transfer_container_id> (1,128)
PTN000000070

>  <COMPOUND_NUMBER> (1,128)
WAY-388672

>  <LOCATION_CODE> (1,128)
PTNCS

>  <AMOUNT_CURRENT> (1,128)
32.5

$$$$
WAY-388678
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11 24  1  0  0  0  0
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 14  7  1  0  0  0  0
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 20  4  1  0  0  0  0
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 22  5  1  0  0  0  0
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  6  3  1  0  0  0  0
 26 23  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,129)
1129

>  <Formula> (1,129)
C21H20N2O3

>  <MolWeight> (1,129)
348.3951

>  <PCAT_CMPD_ID> (1,129)
WAY-388678

>  <CNC_ID> (1,129)
359372816

>  <transfer_container_id> (1,129)
PTN000000070

>  <COMPOUND_NUMBER> (1,129)
WAY-388678

>  <LOCATION_CODE> (1,129)
PTNCS

>  <AMOUNT_CURRENT> (1,129)
32.6

$$$$
WAY-388685
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
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 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  4  1  0  0  0  0
 16 17  2  0  0  0  0
 17  9  1  0  0  0  0
 18  4  1  0  0  0  0
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 23 19  2  0  0  0  0
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 25 24  2  0  0  0  0
  6  8  1  0  0  0  0
 10  7  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,130)
1130

>  <Formula> (1,130)
C19H18N2O3S

>  <MolWeight> (1,130)
354.42282

>  <PCAT_CMPD_ID> (1,130)
WAY-388685

>  <CNC_ID> (1,130)
359372823

>  <transfer_container_id> (1,130)
PTN000000070

>  <COMPOUND_NUMBER> (1,130)
WAY-388685

>  <LOCATION_CODE> (1,130)
PTNCS

>  <AMOUNT_CURRENT> (1,130)
32.4

$$$$
WAY-388692
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,131)
1131

>  <Formula> (1,131)
C21H22ClN3O2

>  <MolWeight> (1,131)
383.87128

>  <PCAT_CMPD_ID> (1,131)
WAY-388692

>  <CNC_ID> (1,131)
359372830

>  <transfer_container_id> (1,131)
PTN000000070

>  <COMPOUND_NUMBER> (1,131)
WAY-388692

>  <LOCATION_CODE> (1,131)
PTNCS

>  <AMOUNT_CURRENT> (1,131)
32.2

$$$$
WAY-388698
csChFnd80/10101909502D

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 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
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 18  5  1  0  0  0  0
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 26 24  2  0  0  0  0
 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,132)
1132

>  <Formula> (1,132)
C21H25FN2O2

>  <MolWeight> (1,132)
356.4338032

>  <PCAT_CMPD_ID> (1,132)
WAY-388698

>  <CNC_ID> (1,132)
359372836

>  <transfer_container_id> (1,132)
PTN000000070

>  <COMPOUND_NUMBER> (1,132)
WAY-388698

>  <LOCATION_CODE> (1,132)
PTNCS

>  <AMOUNT_CURRENT> (1,132)
32.7

$$$$
WAY-388722
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  1  2  0  0  0  0
 15  9  2  0  0  0  0
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 21  8  1  0  0  0  0
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  3  5  2  0  0  0  0
 16 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,133)
1133

>  <Formula> (1,133)
C17H20ClN3O3

>  <MolWeight> (1,133)
349.812

>  <PCAT_CMPD_ID> (1,133)
WAY-388722

>  <CNC_ID> (1,133)
359372860

>  <transfer_container_id> (1,133)
PTN000000070

>  <COMPOUND_NUMBER> (1,133)
WAY-388722

>  <LOCATION_CODE> (1,133)
PTNCS

>  <AMOUNT_CURRENT> (1,133)
32.7

$$$$
WAY-388767
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,134)
1134

>  <Formula> (1,134)
C12H12F3NO3

>  <MolWeight> (1,134)
275.2237896

>  <PCAT_CMPD_ID> (1,134)
WAY-388767

>  <CNC_ID> (1,134)
359372905

>  <transfer_container_id> (1,134)
PTN000000070

>  <COMPOUND_NUMBER> (1,134)
WAY-388767

>  <LOCATION_CODE> (1,134)
PTNCS

>  <AMOUNT_CURRENT> (1,134)
32.7

$$$$
WAY-388779
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,135)
1135

>  <Formula> (1,135)
C16H13BrN2O3

>  <MolWeight> (1,135)
361.19002

>  <PCAT_CMPD_ID> (1,135)
WAY-388779

>  <CNC_ID> (1,135)
359372917

>  <transfer_container_id> (1,135)
PTN000000070

>  <COMPOUND_NUMBER> (1,135)
WAY-388779

>  <LOCATION_CODE> (1,135)
PTNCS

>  <AMOUNT_CURRENT> (1,135)
32.5

$$$$
WAY-388808
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 13  7  1  0  0  0  0
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 15  4  1  0  0  0  0
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 21  5  1  0  0  0  0
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 22 26  2  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,136)
1136

>  <Formula> (1,136)
C22H16Cl2N2O4

>  <MolWeight> (1,136)
443.27944

>  <PCAT_CMPD_ID> (1,136)
WAY-388808

>  <CNC_ID> (1,136)
359372946

>  <transfer_container_id> (1,136)
PTN000000070

>  <COMPOUND_NUMBER> (1,136)
WAY-388808

>  <LOCATION_CODE> (1,136)
PTNCS

>  <AMOUNT_CURRENT> (1,136)
32.1

$$$$
WAY-388811
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
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 17  2  1  0  0  0  0
  7  6  2  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,137)
1137

>  <Formula> (1,137)
C13H13ClN2O

>  <MolWeight> (1,137)
248.70812

>  <PCAT_CMPD_ID> (1,137)
WAY-388811

>  <CNC_ID> (1,137)
359372949

>  <transfer_container_id> (1,137)
PTN000000070

>  <COMPOUND_NUMBER> (1,137)
WAY-388811

>  <LOCATION_CODE> (1,137)
PTNCS

>  <AMOUNT_CURRENT> (1,137)
32.2

$$$$
WAY-388821
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  3  5  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,138)
1138

>  <Formula> (1,138)
C15H13Br2NO3S

>  <MolWeight> (1,138)
447.14162

>  <PCAT_CMPD_ID> (1,138)
WAY-388821

>  <CNC_ID> (1,138)
359372959

>  <transfer_container_id> (1,138)
PTN000000070

>  <COMPOUND_NUMBER> (1,138)
WAY-388821

>  <LOCATION_CODE> (1,138)
PTNCS

>  <AMOUNT_CURRENT> (1,138)
32.6

$$$$
WAY-388835
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
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 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,139)
1139

>  <Formula> (1,139)
C17H18ClNO2

>  <MolWeight> (1,139)
303.78332

>  <PCAT_CMPD_ID> (1,139)
WAY-388835

>  <CNC_ID> (1,139)
359372972

>  <transfer_container_id> (1,139)
PTN000000070

>  <COMPOUND_NUMBER> (1,139)
WAY-388835

>  <LOCATION_CODE> (1,139)
PTNCS

>  <AMOUNT_CURRENT> (1,139)
32.3

$$$$
WAY-388841
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
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 12  5  1  0  0  0  0
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 16  3  1  0  0  0  0
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 22 14  1  0  0  0  0
  4  2  2  0  0  0  0
 15 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,140)
1140

>  <Formula> (1,140)
C15H20N2O6S

>  <MolWeight> (1,140)
356.3941

>  <PCAT_CMPD_ID> (1,140)
WAY-388841

>  <CNC_ID> (1,140)
359372978

>  <transfer_container_id> (1,140)
PTN000000070

>  <COMPOUND_NUMBER> (1,140)
WAY-388841

>  <LOCATION_CODE> (1,140)
PTNCS

>  <AMOUNT_CURRENT> (1,140)
32.9

$$$$
WAY-388850
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 12 10  1  0  0  0  0
 13  8  1  0  0  0  0
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 17  2  1  0  0  0  0
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 19  8  2  0  0  0  0
 20  4  2  0  0  0  0
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 14 21  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,141)
1141

>  <Formula> (1,141)
C20H18ClNO2

>  <MolWeight> (1,141)
339.81542

>  <PCAT_CMPD_ID> (1,141)
WAY-388850

>  <CNC_ID> (1,141)
359372987

>  <transfer_container_id> (1,141)
PTN000000070

>  <COMPOUND_NUMBER> (1,141)
WAY-388850

>  <LOCATION_CODE> (1,141)
PTNCS

>  <AMOUNT_CURRENT> (1,141)
32.1

$$$$
WAY-388861
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 12  5  1  0  0  0  0
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 14  2  1  0  0  0  0
 15  8  2  0  0  0  0
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 17  8  1  0  0  0  0
 18  4  1  0  0  0  0
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 21  2  2  0  0  0  0
 22  7  1  0  0  0  0
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 25 24  2  0  0  0  0
 16  9  1  0  0  0  0
 11 14  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,142)
1142

>  <Formula> (1,142)
C18H15Cl2N3O2

>  <MolWeight> (1,142)
376.2366

>  <PCAT_CMPD_ID> (1,142)
WAY-388861

>  <CNC_ID> (1,142)
359372998

>  <transfer_container_id> (1,142)
PTN000000070

>  <COMPOUND_NUMBER> (1,142)
WAY-388861

>  <LOCATION_CODE> (1,142)
PTNCS

>  <AMOUNT_CURRENT> (1,142)
33

$$$$
WAY-388874
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14  1  1  0  0  0  0
 15 19  1  0  0  0  0
 16  7  1  0  0  0  0
 12 17  1  4  0  0  0
 18 12  1  0  0  0  0
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 21 20  1  0  0  0  0
 15  6  2  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,143)
1143

>  <Formula> (1,143)
C15H20N2O4

>  <MolWeight> (1,143)
292.3303

>  <PCAT_CMPD_ID> (1,143)
WAY-388874

>  <CNC_ID> (1,143)
359373011

>  <transfer_container_id> (1,143)
PTN000000070

>  <COMPOUND_NUMBER> (1,143)
WAY-388874

>  <LOCATION_CODE> (1,143)
PTNCS

>  <AMOUNT_CURRENT> (1,143)
32.9

$$$$
WAY-388879
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 21  1  0  0  0  0
 11  4  1  0  0  0  0
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 13  3  2  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16  6  2  0  0  0  0
 17  5  2  0  0  0  0
 18  5  1  0  0  0  0
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 23  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,144)
1144

>  <Formula> (1,144)
C19H27N3O4S

>  <MolWeight> (1,144)
393.50038

>  <PCAT_CMPD_ID> (1,144)
WAY-388879

>  <CNC_ID> (1,144)
359373016

>  <transfer_container_id> (1,144)
PTN000000070

>  <COMPOUND_NUMBER> (1,144)
WAY-388879

>  <LOCATION_CODE> (1,144)
PTNCS

>  <AMOUNT_CURRENT> (1,144)
32.1

$$$$
WAY-388880
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
 12  7  1  0  0  0  0
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 19  6  1  0  0  0  0
 20  5  1  0  0  0  0
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 17 18  2  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,145)
1145

>  <Formula> (1,145)
C19H21NO4

>  <MolWeight> (1,145)
327.37434

>  <PCAT_CMPD_ID> (1,145)
WAY-388880

>  <CNC_ID> (1,145)
359373017

>  <transfer_container_id> (1,145)
PTN000000070

>  <COMPOUND_NUMBER> (1,145)
WAY-388880

>  <LOCATION_CODE> (1,145)
PTNCS

>  <AMOUNT_CURRENT> (1,145)
32.3

$$$$
WAY-388941
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,146)
1146

>  <Formula> (1,146)
C18H18Br2N2O

>  <MolWeight> (1,146)
438.15632

>  <PCAT_CMPD_ID> (1,146)
WAY-388941

>  <CNC_ID> (1,146)
359373078

>  <transfer_container_id> (1,146)
PTN000000070

>  <COMPOUND_NUMBER> (1,146)
WAY-388941

>  <LOCATION_CODE> (1,146)
PTNCS

>  <AMOUNT_CURRENT> (1,146)
32.1

$$$$
WAY-388963
csChFnd80/10101909502D

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 14 16  2  0  0  0  0
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M  END
>  <Mol_ID> (1,147)
1147

>  <Formula> (1,147)
C20H19NO

>  <MolWeight> (1,147)
289.37096

>  <PCAT_CMPD_ID> (1,147)
WAY-388963

>  <CNC_ID> (1,147)
359373100

>  <transfer_container_id> (1,147)
PTN000000070

>  <COMPOUND_NUMBER> (1,147)
WAY-388963

>  <LOCATION_CODE> (1,147)
PTNCS

>  <AMOUNT_CURRENT> (1,147)
32.5

$$$$
WAY-388997
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 16  7  1  0  0  0  0
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 22 24  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,148)
1148

>  <Formula> (1,148)
C19H19N3OS

>  <MolWeight> (1,148)
337.43866

>  <PCAT_CMPD_ID> (1,148)
WAY-388997

>  <CNC_ID> (1,148)
359373134

>  <transfer_container_id> (1,148)
PTN000000070

>  <COMPOUND_NUMBER> (1,148)
WAY-388997

>  <LOCATION_CODE> (1,148)
PTNCS

>  <AMOUNT_CURRENT> (1,148)
32.1

$$$$
WAY-389008
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
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 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,149)
1149

>  <Formula> (1,149)
C21H22ClN5O2S

>  <MolWeight> (1,149)
443.94968

>  <PCAT_CMPD_ID> (1,149)
WAY-389008

>  <CNC_ID> (1,149)
359373144

>  <transfer_container_id> (1,149)
PTN000000070

>  <COMPOUND_NUMBER> (1,149)
WAY-389008

>  <LOCATION_CODE> (1,149)
PTNCS

>  <AMOUNT_CURRENT> (1,149)
32.1

$$$$
WAY-389013
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (1,150)
1150

>  <Formula> (1,150)
C23H16F3N3OS

>  <MolWeight> (1,150)
439.4528496

>  <PCAT_CMPD_ID> (1,150)
WAY-389013

>  <CNC_ID> (1,150)
359373149

>  <transfer_container_id> (1,150)
PTN000000070

>  <COMPOUND_NUMBER> (1,150)
WAY-389013

>  <LOCATION_CODE> (1,150)
PTNCS

>  <AMOUNT_CURRENT> (1,150)
32.2

$$$$
WAY-389090
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 16  2  1  0  0  0  0
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 19 11  2  0  0  0  0
 13 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,151)
1151

>  <Formula> (1,151)
C21H21ClN2O3S

>  <MolWeight> (1,151)
416.92104

>  <PCAT_CMPD_ID> (1,151)
WAY-389090

>  <CNC_ID> (1,151)
359373223

>  <transfer_container_id> (1,151)
PTN000000070

>  <COMPOUND_NUMBER> (1,151)
WAY-389090

>  <LOCATION_CODE> (1,151)
PTNCS

>  <AMOUNT_CURRENT> (1,151)
32.5

$$$$
WAY-389183
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  2  0  0  0  0
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 16  6  1  0  0  0  0
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 17 14  2  0  0  0  0
 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,152)
1152

>  <Formula> (1,152)
C16H10F2N2O2

>  <MolWeight> (1,152)
300.2596064

>  <PCAT_CMPD_ID> (1,152)
WAY-389183

>  <CNC_ID> (1,152)
359373310

>  <transfer_container_id> (1,152)
PTN000000070

>  <COMPOUND_NUMBER> (1,152)
WAY-389183

>  <LOCATION_CODE> (1,152)
PTNCS

>  <AMOUNT_CURRENT> (1,152)
32.5

$$$$
WAY-389495
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
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 13  6  1  0  0  0  0
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 15  3  1  0  0  0  0
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 12 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,153)
1153

>  <Formula> (1,153)
C11H9NO2S

>  <MolWeight> (1,153)
219.25966

>  <PCAT_CMPD_ID> (1,153)
WAY-389495

>  <CNC_ID> (1,153)
359373620

>  <transfer_container_id> (1,153)
PTN000000070

>  <COMPOUND_NUMBER> (1,153)
WAY-389495

>  <LOCATION_CODE> (1,153)
PTNCS

>  <AMOUNT_CURRENT> (1,153)
32.6

$$$$
WAY-389520
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 15  5  1  0  0  0  0
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  8 10  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,154)
1154

>  <Formula> (1,154)
C16H20N2O4S

>  <MolWeight> (1,154)
336.406

>  <PCAT_CMPD_ID> (1,154)
WAY-389520

>  <CNC_ID> (1,154)
359373645

>  <transfer_container_id> (1,154)
PTN000000070

>  <COMPOUND_NUMBER> (1,154)
WAY-389520

>  <LOCATION_CODE> (1,154)
PTNCS

>  <AMOUNT_CURRENT> (1,154)
32.8

$$$$
WAY-389534
csChFnd80/10101909502D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
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 22 24  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,155)
1155

>  <Formula> (1,155)
C23H18ClN5OS2

>  <MolWeight> (1,155)
480.00492

>  <PCAT_CMPD_ID> (1,155)
WAY-389534

>  <CNC_ID> (1,155)
359373657

>  <transfer_container_id> (1,155)
PTN000000070

>  <COMPOUND_NUMBER> (1,155)
WAY-389534

>  <LOCATION_CODE> (1,155)
PTNCS

>  <AMOUNT_CURRENT> (1,155)
32.5

$$$$
WAY-389564
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11 15  1  0  0  0  0
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 13  5  2  0  0  0  0
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 16  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,156)
1156

>  <Formula> (1,156)
C22H20N4O2S2

>  <MolWeight> (1,156)
436.5498

>  <PCAT_CMPD_ID> (1,156)
WAY-389564

>  <CNC_ID> (1,156)
359373686

>  <transfer_container_id> (1,156)
PTN000000070

>  <COMPOUND_NUMBER> (1,156)
WAY-389564

>  <LOCATION_CODE> (1,156)
PTNCS

>  <AMOUNT_CURRENT> (1,156)
32.4

$$$$
WAY-389575
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
 11  2  1  0  0  0  0
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 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
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 18 16  1  0  0  0  0
  5  3  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,157)
1157

>  <Formula> (1,157)
C15H21NO2

>  <MolWeight> (1,157)
247.33274

>  <PCAT_CMPD_ID> (1,157)
WAY-389575

>  <CNC_ID> (1,157)
359373697

>  <transfer_container_id> (1,157)
PTN000000070

>  <COMPOUND_NUMBER> (1,157)
WAY-389575

>  <LOCATION_CODE> (1,157)
PTNCS

>  <AMOUNT_CURRENT> (1,157)
32.3

$$$$
WAY-389578
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  8  2  2  0  0  0  0
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 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
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 14 13  1  0  0  0  0
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 16 14  1  0  0  0  0
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  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,158)
1158

>  <Formula> (1,158)
C10H14N2O2S2

>  <MolWeight> (1,158)
258.36036

>  <PCAT_CMPD_ID> (1,158)
WAY-389578

>  <CNC_ID> (1,158)
359373700

>  <transfer_container_id> (1,158)
PTN000000070

>  <COMPOUND_NUMBER> (1,158)
WAY-389578

>  <LOCATION_CODE> (1,158)
PTNCS

>  <AMOUNT_CURRENT> (1,158)
32.2

$$$$
WAY-389658
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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 10 18  1  0  0  0  0
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 13  7  1  0  0  0  0
 14  1  1  0  0  0  0
 15 16  1  0  0  0  0
 16  9  1  0  0  0  0
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 20 12  1  0  0  0  0
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 22 20  2  0  0  0  0
  3 11  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,159)
1159

>  <Formula> (1,159)
C16H18N2O3S

>  <MolWeight> (1,159)
318.39072

>  <PCAT_CMPD_ID> (1,159)
WAY-389658

>  <CNC_ID> (1,159)
359373776

>  <transfer_container_id> (1,159)
PTN000000070

>  <COMPOUND_NUMBER> (1,159)
WAY-389658

>  <LOCATION_CODE> (1,159)
PTNCS

>  <AMOUNT_CURRENT> (1,159)
32.9

$$$$
WAY-389661
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
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 15  3  2  0  0  0  0
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 17  6  1  0  0  0  0
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 19  9  2  0  0  0  0
 20 12  2  0  0  0  0
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 13 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,160)
1160

>  <Formula> (1,160)
C19H15N3O3S

>  <MolWeight> (1,160)
365.4057

>  <PCAT_CMPD_ID> (1,160)
WAY-389661

>  <CNC_ID> (1,160)
359373779

>  <transfer_container_id> (1,160)
PTN000000070

>  <COMPOUND_NUMBER> (1,160)
WAY-389661

>  <LOCATION_CODE> (1,160)
PTNCS

>  <AMOUNT_CURRENT> (1,160)
32.7

$$$$
WAY-389943
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  9  7  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  1  0  0  0  0
 13  3  1  0  0  0  0
 14  5  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20 26  1  0  0  0  0
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 22 13  1  0  0  0  0
 23  8  1  0  0  0  0
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 31 30  1  0  0  0  0
  9 15  2  0  0  0  0
 29 31  2  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,161)
1161

>  <Formula> (1,161)
C20H20ClF3N2O4S

>  <MolWeight> (1,161)
476.8970096

>  <PCAT_CMPD_ID> (1,161)
WAY-389943

>  <CNC_ID> (1,161)
359374052

>  <transfer_container_id> (1,161)
PTN000000070

>  <COMPOUND_NUMBER> (1,161)
WAY-389943

>  <LOCATION_CODE> (1,161)
PTNCS

>  <AMOUNT_CURRENT> (1,161)
32.4

$$$$
WAY-389967
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 11  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  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  2  0  0  0  0
 14  5  2  0  0  0  0
 15  3  2  0  0  0  0
 16  9  2  0  0  0  0
 17 19  2  0  0  0  0
 18  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20  4  1  0  0  0  0
 21 17  1  0  0  0  0
 22 11  1  0  0  0  0
  4  6  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,162)
1162

>  <Formula> (1,162)
C14H15Cl2N3O3

>  <MolWeight> (1,162)
344.1932

>  <PCAT_CMPD_ID> (1,162)
WAY-389967

>  <CNC_ID> (1,162)
359374075

>  <transfer_container_id> (1,162)
PTN000000070

>  <COMPOUND_NUMBER> (1,162)
WAY-389967

>  <LOCATION_CODE> (1,162)
PTNCS

>  <AMOUNT_CURRENT> (1,162)
32.2

$$$$
WAY-389973
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  8  2  0  0  0  0
 13 15  1  0  0  0  0
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 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  2  0  0  0  0
 19  9  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  1  0  0  0  0
  5  6  1  0  0  0  0
  9  7  2  0  0  0  0
 18 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,163)
1163

>  <Formula> (1,163)
C14H14N4O2S

>  <MolWeight> (1,163)
302.35156

>  <PCAT_CMPD_ID> (1,163)
WAY-389973

>  <CNC_ID> (1,163)
359374080

>  <transfer_container_id> (1,163)
PTN000000070

>  <COMPOUND_NUMBER> (1,163)
WAY-389973

>  <LOCATION_CODE> (1,163)
PTNCS

>  <AMOUNT_CURRENT> (1,163)
32.6

$$$$
WAY-389977
csChFnd80/10101909502D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17 15  2  0  0  0  0
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 19  7  1  0  0  0  0
 20  9  2  0  0  0  0
 21 20  1  0  0  0  0
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 23  7  1  0  0  0  0
 24  4  1  0  0  0  0
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 27 11  1  0  0  0  0
 28 23  1  0  0  0  0
 19 21  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,164)
1164

>  <Formula> (1,164)
C22H27BrN2O3

>  <MolWeight> (1,164)
447.36538

>  <PCAT_CMPD_ID> (1,164)
WAY-389977

>  <CNC_ID> (1,164)
359374084

>  <transfer_container_id> (1,164)
PTN000000070

>  <COMPOUND_NUMBER> (1,164)
WAY-389977

>  <LOCATION_CODE> (1,164)
PTNCS

>  <AMOUNT_CURRENT> (1,164)
32.9

$$$$
WAY-389991
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 13  6  1  0  0  0  0
 14  4  1  0  0  0  0
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 16  9  1  0  0  0  0
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 22  7  1  0  0  0  0
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 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,165)
1165

>  <Formula> (1,165)
C18H12BrNO4S

>  <MolWeight> (1,165)
418.26118

>  <PCAT_CMPD_ID> (1,165)
WAY-389991

>  <CNC_ID> (1,165)
359374097

>  <transfer_container_id> (1,165)
PTN000000070

>  <COMPOUND_NUMBER> (1,165)
WAY-389991

>  <LOCATION_CODE> (1,165)
PTNCS

>  <AMOUNT_CURRENT> (1,165)
32.3

$$$$
WAY-389992
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  2  2  0  0  0  0
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  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  2  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
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 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
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  8  5  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,166)
1166

>  <Formula> (1,166)
C14H12BrNOS

>  <MolWeight> (1,166)
322.22018

>  <PCAT_CMPD_ID> (1,166)
WAY-389992

>  <CNC_ID> (1,166)
359374098

>  <transfer_container_id> (1,166)
PTN000000070

>  <COMPOUND_NUMBER> (1,166)
WAY-389992

>  <LOCATION_CODE> (1,166)
PTNCS

>  <AMOUNT_CURRENT> (1,166)
32.9

$$$$
WAY-390014
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  4  1  1  0  0  0  0
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  8 16  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  2  0  0  0  0
 11  9  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14  8  2  0  0  0  0
 15  2  1  0  0  0  0
 16 15  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19  4  2  0  0  0  0
 20  5  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
  3  5  1  0  0  0  0
 20 24  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,167)
1167

>  <Formula> (1,167)
C18H18N2O3S

>  <MolWeight> (1,167)
342.41212

>  <PCAT_CMPD_ID> (1,167)
WAY-390014

>  <CNC_ID> (1,167)
359374120

>  <transfer_container_id> (1,167)
PTN000000070

>  <COMPOUND_NUMBER> (1,167)
WAY-390014

>  <LOCATION_CODE> (1,167)
PTNCS

>  <AMOUNT_CURRENT> (1,167)
32.7

$$$$
WAY-390032
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  7  1  2  0  0  0  0
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 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13 18  2  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  1  0  0  0  0
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 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  0  0  0  0
 13 17  1  0  0  0  0
 11  3  1  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,168)
1168

>  <Formula> (1,168)
C21H32N2O3S

>  <MolWeight> (1,168)
392.55538

>  <PCAT_CMPD_ID> (1,168)
WAY-390032

>  <CNC_ID> (1,168)
359374138

>  <transfer_container_id> (1,168)
PTN000000070

>  <COMPOUND_NUMBER> (1,168)
WAY-390032

>  <LOCATION_CODE> (1,168)
PTNCS

>  <AMOUNT_CURRENT> (1,168)
32.9

$$$$
WAY-390033
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
   12.8917   -9.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  3  1  0  0  0  0
 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
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 13 10  1  0  0  0  0
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 16 14  1  0  0  0  0
 17 13  2  0  0  0  0
 18 16  2  0  0  0  0
  6  3  2  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,169)
1169

>  <Formula> (1,169)
C14H14BrNOS

>  <MolWeight> (1,169)
324.23606

>  <PCAT_CMPD_ID> (1,169)
WAY-390033

>  <CNC_ID> (1,169)
359374139

>  <transfer_container_id> (1,169)
PTN000000070

>  <COMPOUND_NUMBER> (1,169)
WAY-390033

>  <LOCATION_CODE> (1,169)
PTNCS

>  <AMOUNT_CURRENT> (1,169)
32.8

$$$$
WAY-390038
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
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 14  1  1  0  0  0  0
 15  7  1  0  0  0  0
 16  5  1  0  0  0  0
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 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 20 22  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,170)
1170

>  <Formula> (1,170)
C17H19N3O2

>  <MolWeight> (1,170)
297.35166

>  <PCAT_CMPD_ID> (1,170)
WAY-390038

>  <CNC_ID> (1,170)
359374144

>  <transfer_container_id> (1,170)
PTN000000070

>  <COMPOUND_NUMBER> (1,170)
WAY-390038

>  <LOCATION_CODE> (1,170)
PTNCS

>  <AMOUNT_CURRENT> (1,170)
32.5

$$$$
WAY-390053
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  6  3  1  0  0  0  0
  7  6  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 13  1  0  0  0  0
 12  2  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19  5  1  0  0  0  0
 20  5  1  0  0  0  0
 21  5  1  0  0  0  0
 22 12  1  0  0  0  0
 23 14  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 27  2  0  0  0  0
  4  6  1  0  0  0  0
 28 29  1  0  0  0  0
 17 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,171)
1171

>  <Formula> (1,171)
C19H15ClF3N3O2S

>  <MolWeight> (1,171)
441.8545096

>  <PCAT_CMPD_ID> (1,171)
WAY-390053

>  <CNC_ID> (1,171)
359374159

>  <transfer_container_id> (1,171)
PTN000000070

>  <COMPOUND_NUMBER> (1,171)
WAY-390053

>  <LOCATION_CODE> (1,171)
PTNCS

>  <AMOUNT_CURRENT> (1,171)
32.1

$$$$
WAY-390057
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  7  2  0  0  0  0
 15 10  2  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20  8  2  0  0  0  0
 21  9  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
  4  5  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,172)
1172

>  <Formula> (1,172)
C15H17Cl2N3O3

>  <MolWeight> (1,172)
358.21978

>  <PCAT_CMPD_ID> (1,172)
WAY-390057

>  <CNC_ID> (1,172)
359374163

>  <transfer_container_id> (1,172)
PTN000000070

>  <COMPOUND_NUMBER> (1,172)
WAY-390057

>  <LOCATION_CODE> (1,172)
PTNCS

>  <AMOUNT_CURRENT> (1,172)
32.6

$$$$
WAY-390075
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  1  2  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13  2  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
 16  4  1  0  0  0  0
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 19 25  2  0  0  0  0
 20  8  1  0  0  0  0
 21  3  1  0  0  0  0
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 29  8  1  0  0  0  0
 30 21  2  0  0  0  0
 31 30  1  0  0  0  0
 24 19  1  0  0  0  0
 29 31  2  0  0  0  0
  5 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,173)
1173

>  <Formula> (1,173)
C22H16ClF3N2O3

>  <MolWeight> (1,173)
448.8222496

>  <PCAT_CMPD_ID> (1,173)
WAY-390075

>  <CNC_ID> (1,173)
359374181

>  <transfer_container_id> (1,173)
PTN000000070

>  <COMPOUND_NUMBER> (1,173)
WAY-390075

>  <LOCATION_CODE> (1,173)
PTNCS

>  <AMOUNT_CURRENT> (1,173)
32.7

$$$$
WAY-390081
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14 21  1  0  0  0  0
 15 17  2  0  0  0  0
 16  1  1  0  0  0  0
 17  8  1  0  0  0  0
 18  6  1  0  0  0  0
 19 15  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
 11  5  2  0  0  0  0
 19 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,174)
1174

>  <Formula> (1,174)
C18H21NO2S

>  <MolWeight> (1,174)
315.42984

>  <PCAT_CMPD_ID> (1,174)
WAY-390081

>  <CNC_ID> (1,174)
359374187

>  <transfer_container_id> (1,174)
PTN000000070

>  <COMPOUND_NUMBER> (1,174)
WAY-390081

>  <LOCATION_CODE> (1,174)
PTNCS

>  <AMOUNT_CURRENT> (1,174)
32.9

$$$$
WAY-391042
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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M  END
>  <Mol_ID> (1,175)
1175

>  <Formula> (1,175)
C23H25NO5

>  <MolWeight> (1,175)
395.4483

>  <PCAT_CMPD_ID> (1,175)
WAY-391042

>  <CNC_ID> (1,175)
359374270

>  <transfer_container_id> (1,175)
PTN000000070

>  <COMPOUND_NUMBER> (1,175)
WAY-391042

>  <LOCATION_CODE> (1,175)
PTNCS

>  <AMOUNT_CURRENT> (1,175)
32.4

$$$$
WAY-391630
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,176)
1176

>  <Formula> (1,176)
C19H17ClN2O4

>  <MolWeight> (1,176)
372.80228

>  <PCAT_CMPD_ID> (1,176)
WAY-391630

>  <CNC_ID> (1,176)
359374288

>  <transfer_container_id> (1,176)
PTN000000070

>  <COMPOUND_NUMBER> (1,176)
WAY-391630

>  <LOCATION_CODE> (1,176)
PTNCS

>  <AMOUNT_CURRENT> (1,176)
32.6

$$$$
WAY-231672-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,177)
1177

>  <Formula> (1,177)
C15H13N3S

>  <MolWeight> (1,177)
267.34882

>  <PCAT_CMPD_ID> (1,177)
WAY-231672-A

>  <CNC_ID> (1,177)
359380820

>  <transfer_container_id> (1,177)
PTN000000071

>  <COMPOUND_NUMBER> (1,177)
WAY-231672-A

>  <LOCATION_CODE> (1,177)
PTNCS

>  <AMOUNT_CURRENT> (1,177)
33.4

$$$$
WAY-236672
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,178)
1178

>  <Formula> (1,178)
C12H14N2O4

>  <MolWeight> (1,178)
250.25056

>  <PCAT_CMPD_ID> (1,178)
WAY-236672

>  <CNC_ID> (1,178)
359380873

>  <transfer_container_id> (1,178)
PTN000000071

>  <COMPOUND_NUMBER> (1,178)
WAY-236672

>  <LOCATION_CODE> (1,178)
PTNCS

>  <AMOUNT_CURRENT> (1,178)
33.1

$$$$
WAY-250442-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,179)
1179

>  <Formula> (1,179)
C17H25N

>  <MolWeight> (1,179)
243.3871

>  <PCAT_CMPD_ID> (1,179)
WAY-250442-A

>  <CNC_ID> (1,179)
359380922

>  <transfer_container_id> (1,179)
PTN000000071

>  <COMPOUND_NUMBER> (1,179)
WAY-250442-A

>  <LOCATION_CODE> (1,179)
PTNCS

>  <AMOUNT_CURRENT> (1,179)
33.3

$$$$
WAY-302052
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,180)
1180

>  <Formula> (1,180)
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>  <MolWeight> (1,180)
216.23588

>  <PCAT_CMPD_ID> (1,180)
WAY-302052

>  <CNC_ID> (1,180)
359383038

>  <transfer_container_id> (1,180)
PTN000000071

>  <COMPOUND_NUMBER> (1,180)
WAY-302052

>  <LOCATION_CODE> (1,180)
PTNCS

>  <AMOUNT_CURRENT> (1,180)
33.5

$$$$
WAY-302177
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,181)
1181

>  <Formula> (1,181)
C9H8N4O3S

>  <MolWeight> (1,181)
252.24982

>  <PCAT_CMPD_ID> (1,181)
WAY-302177

>  <CNC_ID> (1,181)
359383163

>  <transfer_container_id> (1,181)
PTN000000071

>  <COMPOUND_NUMBER> (1,181)
WAY-302177

>  <LOCATION_CODE> (1,181)
PTNCS

>  <AMOUNT_CURRENT> (1,181)
33.5

$$$$
WAY-302480
csChFnd80/10101909502D

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 10 11  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,182)
1182

>  <Formula> (1,182)
C15H12F3N3O2S

>  <MolWeight> (1,182)
355.3348896

>  <PCAT_CMPD_ID> (1,182)
WAY-302480

>  <CNC_ID> (1,182)
359383466

>  <transfer_container_id> (1,182)
PTN000000071

>  <COMPOUND_NUMBER> (1,182)
WAY-302480

>  <LOCATION_CODE> (1,182)
PTNCS

>  <AMOUNT_CURRENT> (1,182)
33.2

$$$$
WAY-303300
csChFnd80/10101909502D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,183)
1183

>  <Formula> (1,183)
C16H19F3N2O6

>  <MolWeight> (1,183)
392.3270696

>  <PCAT_CMPD_ID> (1,183)
WAY-303300

>  <CNC_ID> (1,183)
359384284

>  <transfer_container_id> (1,183)
PTN000000071

>  <COMPOUND_NUMBER> (1,183)
WAY-303300

>  <LOCATION_CODE> (1,183)
PTNCS

>  <AMOUNT_CURRENT> (1,183)
33.3

$$$$
WAY-320132
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,184)
1184

>  <Formula> (1,184)
C12H12N2O4S

>  <MolWeight> (1,184)
280.29968

>  <PCAT_CMPD_ID> (1,184)
WAY-320132

>  <CNC_ID> (1,184)
359384450

>  <transfer_container_id> (1,184)
PTN000000075

>  <COMPOUND_NUMBER> (1,184)
WAY-320132

>  <LOCATION_CODE> (1,184)
PTNCS

>  <AMOUNT_CURRENT> (1,184)
32.6

$$$$
WAY-320368
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,185)
1185

>  <Formula> (1,185)
C20H15N3O

>  <MolWeight> (1,185)
313.3526

>  <PCAT_CMPD_ID> (1,185)
WAY-320368

>  <CNC_ID> (1,185)
359384693

>  <transfer_container_id> (1,185)
PTN000000076

>  <COMPOUND_NUMBER> (1,185)
WAY-320368

>  <LOCATION_CODE> (1,185)
PTNCS

>  <AMOUNT_CURRENT> (1,185)
32.9

$$$$
WAY-383313
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,186)
1186

>  <Formula> (1,186)
C16H16N2O3

>  <MolWeight> (1,186)
284.30984

>  <PCAT_CMPD_ID> (1,186)
WAY-383313

>  <CNC_ID> (1,186)
359385480

>  <transfer_container_id> (1,186)
PTN000000071

>  <COMPOUND_NUMBER> (1,186)
WAY-383313

>  <LOCATION_CODE> (1,186)
PTNCS

>  <AMOUNT_CURRENT> (1,186)
32.6

$$$$
WAY-383332
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 16  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,187)
1187

>  <Formula> (1,187)
C13H8Cl3NO2

>  <MolWeight> (1,187)
316.56712

>  <PCAT_CMPD_ID> (1,187)
WAY-383332

>  <CNC_ID> (1,187)
359385498

>  <transfer_container_id> (1,187)
PTN000000071

>  <COMPOUND_NUMBER> (1,187)
WAY-383332

>  <LOCATION_CODE> (1,187)
PTNCS

>  <AMOUNT_CURRENT> (1,187)
32.7

$$$$
WAY-390169
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 19  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,188)
1188

>  <Formula> (1,188)
C21H26N2O4

>  <MolWeight> (1,188)
370.44214

>  <PCAT_CMPD_ID> (1,188)
WAY-390169

>  <CNC_ID> (1,188)
359385540

>  <transfer_container_id> (1,188)
PTN000000071

>  <COMPOUND_NUMBER> (1,188)
WAY-390169

>  <LOCATION_CODE> (1,188)
PTNCS

>  <AMOUNT_CURRENT> (1,188)
32.3

$$$$
WAY-383057
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 18  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,189)
1189

>  <Formula> (1,189)
C20H19N3O3S

>  <MolWeight> (1,189)
381.44816

>  <PCAT_CMPD_ID> (1,189)
WAY-383057

>  <CNC_ID> (1,189)
359384554

>  <transfer_container_id> (1,189)
PTN000000071

>  <COMPOUND_NUMBER> (1,189)
WAY-383057

>  <LOCATION_CODE> (1,189)
PTNCS

>  <AMOUNT_CURRENT> (1,189)
32.7

$$$$
WAY-391425
csChFnd80/10101909502D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,190)
1190

>  <Formula> (1,190)
C27H24ClN3O4

>  <MolWeight> (1,190)
489.95016

>  <PCAT_CMPD_ID> (1,190)
WAY-391425

>  <CNC_ID> (1,190)
359386751

>  <transfer_container_id> (1,190)
PTN000000071

>  <COMPOUND_NUMBER> (1,190)
WAY-391425

>  <LOCATION_CODE> (1,190)
PTNCS

>  <AMOUNT_CURRENT> (1,190)
32.8

$$$$
WL-15014
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,191)
1191

>  <Formula> (1,191)
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>  <MolWeight> (1,191)
198.21576

>  <PCAT_CMPD_ID> (1,191)
WL-15014

>  <CNC_ID> (1,191)
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>  <transfer_container_id> (1,191)
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WL-15014

>  <LOCATION_CODE> (1,191)
PTNCS

>  <AMOUNT_CURRENT> (1,191)
33

$$$$
WAY-118319
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,192)
1192

>  <Formula> (1,192)
C15H18N2O4S

>  <MolWeight> (1,192)
322.37942

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WAY-118319

>  <CNC_ID> (1,192)
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>  <transfer_container_id> (1,192)
PTN000000072

>  <COMPOUND_NUMBER> (1,192)
WAY-118319

>  <LOCATION_CODE> (1,192)
PTNCS

>  <AMOUNT_CURRENT> (1,192)
33

$$$$
WAY-218348
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,193)
1193

>  <Formula> (1,193)
C18H23N5O4S

>  <MolWeight> (1,193)
405.47132

>  <PCAT_CMPD_ID> (1,193)
WAY-218348

>  <CNC_ID> (1,193)
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>  <transfer_container_id> (1,193)
PTN000000072

>  <COMPOUND_NUMBER> (1,193)
WAY-218348

>  <LOCATION_CODE> (1,193)
PTNCS

>  <AMOUNT_CURRENT> (1,193)
33.2

$$$$
WAY-233484
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,194)
1194

>  <Formula> (1,194)
C18H16N2O2

>  <MolWeight> (1,194)
292.33184

>  <PCAT_CMPD_ID> (1,194)
WAY-233484

>  <CNC_ID> (1,194)
359394407

>  <transfer_container_id> (1,194)
PTN000000072

>  <COMPOUND_NUMBER> (1,194)
WAY-233484

>  <LOCATION_CODE> (1,194)
PTNCS

>  <AMOUNT_CURRENT> (1,194)
33.2

$$$$
WAY-234956
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,195)
1195

>  <Formula> (1,195)
C17H17NO3S

>  <MolWeight> (1,195)
315.38678

>  <PCAT_CMPD_ID> (1,195)
WAY-234956

>  <CNC_ID> (1,195)
359394427

>  <transfer_container_id> (1,195)
PTN000000072

>  <COMPOUND_NUMBER> (1,195)
WAY-234956

>  <LOCATION_CODE> (1,195)
PTNCS

>  <AMOUNT_CURRENT> (1,195)
33.7

$$$$
WAY-303595
csChFnd80/10101909502D

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>  <Formula> (1,196)
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>  <MolWeight> (1,196)
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>  <PCAT_CMPD_ID> (1,196)
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>  <CNC_ID> (1,196)
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>  <COMPOUND_NUMBER> (1,196)
WAY-303595

>  <LOCATION_CODE> (1,196)
PTNCS

>  <AMOUNT_CURRENT> (1,196)
33.5

$$$$
WAY-303616
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,197)
1197

>  <Formula> (1,197)
C20H15Cl2N3O5

>  <MolWeight> (1,197)
448.2562

>  <PCAT_CMPD_ID> (1,197)
WAY-303616

>  <CNC_ID> (1,197)
359394796

>  <transfer_container_id> (1,197)
PTN000000072

>  <COMPOUND_NUMBER> (1,197)
WAY-303616

>  <LOCATION_CODE> (1,197)
PTNCS

>  <AMOUNT_CURRENT> (1,197)
33

$$$$
WAY-303643
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,198)
1198

>  <Formula> (1,198)
C10H12N4O

>  <MolWeight> (1,198)
204.22848

>  <PCAT_CMPD_ID> (1,198)
WAY-303643

>  <CNC_ID> (1,198)
359394823

>  <transfer_container_id> (1,198)
PTN000000072

>  <COMPOUND_NUMBER> (1,198)
WAY-303643

>  <LOCATION_CODE> (1,198)
PTNCS

>  <AMOUNT_CURRENT> (1,198)
33.8

$$$$
WAY-303676
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,199)
1199

>  <Formula> (1,199)
C18H18N2O4S

>  <MolWeight> (1,199)
358.41152

>  <PCAT_CMPD_ID> (1,199)
WAY-303676

>  <CNC_ID> (1,199)
359394856

>  <transfer_container_id> (1,199)
PTN000000072

>  <COMPOUND_NUMBER> (1,199)
WAY-303676

>  <LOCATION_CODE> (1,199)
PTNCS

>  <AMOUNT_CURRENT> (1,199)
33

$$$$
WAY-303761
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 15  4  1  0  0  0  0
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,200)
1200

>  <Formula> (1,200)
C17H19FN2O2S

>  <MolWeight> (1,200)
334.4083632

>  <PCAT_CMPD_ID> (1,200)
WAY-303761

>  <CNC_ID> (1,200)
359394941

>  <transfer_container_id> (1,200)
PTN000000072

>  <COMPOUND_NUMBER> (1,200)
WAY-303761

>  <LOCATION_CODE> (1,200)
PTNCS

>  <AMOUNT_CURRENT> (1,200)
33.1

$$$$
WAY-304026
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,201)
1201

>  <Formula> (1,201)
C14H16N2O2

>  <MolWeight> (1,201)
244.28904

>  <PCAT_CMPD_ID> (1,201)
WAY-304026

>  <CNC_ID> (1,201)
359395204

>  <transfer_container_id> (1,201)
PTN000000072

>  <COMPOUND_NUMBER> (1,201)
WAY-304026

>  <LOCATION_CODE> (1,201)
PTNCS

>  <AMOUNT_CURRENT> (1,201)
33.4

$$$$
WAY-304336
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,202)
1202

>  <Formula> (1,202)
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>  <MolWeight> (1,202)
281.3092

>  <PCAT_CMPD_ID> (1,202)
WAY-304336

>  <CNC_ID> (1,202)
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>  <transfer_container_id> (1,202)
PTN000000072

>  <COMPOUND_NUMBER> (1,202)
WAY-304336

>  <LOCATION_CODE> (1,202)
PTNCS

>  <AMOUNT_CURRENT> (1,202)
33.6

$$$$
WAY-304689
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,203)
1203

>  <Formula> (1,203)
C16H26N2O2

>  <MolWeight> (1,203)
278.38984

>  <PCAT_CMPD_ID> (1,203)
WAY-304689

>  <CNC_ID> (1,203)
359395869

>  <transfer_container_id> (1,203)
PTN000000072

>  <COMPOUND_NUMBER> (1,203)
WAY-304689

>  <LOCATION_CODE> (1,203)
PTNCS

>  <AMOUNT_CURRENT> (1,203)
33.1

$$$$
WAY-304948
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,204)
1204

>  <Formula> (1,204)
C17H9BrN2O3

>  <MolWeight> (1,204)
369.16896

>  <PCAT_CMPD_ID> (1,204)
WAY-304948

>  <CNC_ID> (1,204)
359396125

>  <transfer_container_id> (1,204)
PTN000000072

>  <COMPOUND_NUMBER> (1,204)
WAY-304948

>  <LOCATION_CODE> (1,204)
PTNCS

>  <AMOUNT_CURRENT> (1,204)
33.1

$$$$
WAY-305002
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,205)
1205

>  <Formula> (1,205)
C15H18N2OS

>  <MolWeight> (1,205)
274.38122

>  <PCAT_CMPD_ID> (1,205)
WAY-305002

>  <CNC_ID> (1,205)
359396179

>  <transfer_container_id> (1,205)
PTN000000072

>  <COMPOUND_NUMBER> (1,205)
WAY-305002

>  <LOCATION_CODE> (1,205)
PTNCS

>  <AMOUNT_CURRENT> (1,205)
33.3

$$$$
WAY-305153
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,206)
1206

>  <Formula> (1,206)
C16H21NO3

>  <MolWeight> (1,206)
275.34284

>  <PCAT_CMPD_ID> (1,206)
WAY-305153

>  <CNC_ID> (1,206)
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>  <transfer_container_id> (1,206)
PTN000000072

>  <COMPOUND_NUMBER> (1,206)
WAY-305153

>  <LOCATION_CODE> (1,206)
PTNCS

>  <AMOUNT_CURRENT> (1,206)
33.9

$$$$
WAY-305259-A
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,207)
1207

>  <Formula> (1,207)
C17H18N2O3

>  <MolWeight> (1,207)
298.33642

>  <PCAT_CMPD_ID> (1,207)
WAY-305259-A

>  <CNC_ID> (1,207)
359396435

>  <transfer_container_id> (1,207)
PTN000000072

>  <COMPOUND_NUMBER> (1,207)
WAY-305259-A

>  <LOCATION_CODE> (1,207)
PTNCS

>  <AMOUNT_CURRENT> (1,207)
33.3

$$$$
WAY-305402-A
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,208)
1208

>  <Formula> (1,208)
C19H23NO5

>  <MolWeight> (1,208)
345.38962

>  <PCAT_CMPD_ID> (1,208)
WAY-305402-A

>  <CNC_ID> (1,208)
359396578

>  <transfer_container_id> (1,208)
PTN000000072

>  <COMPOUND_NUMBER> (1,208)
WAY-305402-A

>  <LOCATION_CODE> (1,208)
PTNCS

>  <AMOUNT_CURRENT> (1,208)
33.2

$$$$
WAY-321508
csChFnd80/10101909502D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,209)
1209

>  <Formula> (1,209)
C23H16N4O4

>  <MolWeight> (1,209)
412.39754

>  <PCAT_CMPD_ID> (1,209)
WAY-321508

>  <CNC_ID> (1,209)
359397631

>  <transfer_container_id> (1,209)
PTN000000076

>  <COMPOUND_NUMBER> (1,209)
WAY-321508

>  <LOCATION_CODE> (1,209)
PTNCS

>  <AMOUNT_CURRENT> (1,209)
32.3

$$$$
WAY-382944
csChFnd80/10101909502D

 29 30  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,210)
1210

>  <Formula> (1,210)
C19H16F6N2O2

>  <MolWeight> (1,210)
418.3329592

>  <PCAT_CMPD_ID> (1,210)
WAY-382944

>  <CNC_ID> (1,210)
359399366

>  <transfer_container_id> (1,210)
PTN000000072

>  <COMPOUND_NUMBER> (1,210)
WAY-382944

>  <LOCATION_CODE> (1,210)
PTNCS

>  <AMOUNT_CURRENT> (1,210)
32.3

$$$$
WAY-383482
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
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 15  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,211)
1211

>  <Formula> (1,211)
C20H23N3O2

>  <MolWeight> (1,211)
337.41552

>  <PCAT_CMPD_ID> (1,211)
WAY-383482

>  <CNC_ID> (1,211)
359399545

>  <transfer_container_id> (1,211)
PTN000000072

>  <COMPOUND_NUMBER> (1,211)
WAY-383482

>  <LOCATION_CODE> (1,211)
PTNCS

>  <AMOUNT_CURRENT> (1,211)
32.5

$$$$
WAY-383488
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,212)
1212

>  <Formula> (1,212)
C18H20N4OS

>  <MolWeight> (1,212)
340.4426

>  <PCAT_CMPD_ID> (1,212)
WAY-383488

>  <CNC_ID> (1,212)
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>  <transfer_container_id> (1,212)
PTN000000072

>  <COMPOUND_NUMBER> (1,212)
WAY-383488

>  <LOCATION_CODE> (1,212)
PTNCS

>  <AMOUNT_CURRENT> (1,212)
32.8

$$$$
WAY-383527
csChFnd80/10101909502D

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 11  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,213)
1213

>  <Formula> (1,213)
C13H13F2NO3

>  <MolWeight> (1,213)
269.2440264

>  <PCAT_CMPD_ID> (1,213)
WAY-383527

>  <CNC_ID> (1,213)
359399597

>  <transfer_container_id> (1,213)
PTN000000072

>  <COMPOUND_NUMBER> (1,213)
WAY-383527

>  <LOCATION_CODE> (1,213)
PTNCS

>  <AMOUNT_CURRENT> (1,213)
32.4

$$$$
WAY-383954
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,214)
1214

>  <Formula> (1,214)
C19H16ClN3O3

>  <MolWeight> (1,214)
369.80164

>  <PCAT_CMPD_ID> (1,214)
WAY-383954

>  <CNC_ID> (1,214)
359399975

>  <transfer_container_id> (1,214)
PTN000000072

>  <COMPOUND_NUMBER> (1,214)
WAY-383954

>  <LOCATION_CODE> (1,214)
PTNCS

>  <AMOUNT_CURRENT> (1,214)
32.3

$$$$
WAY-384186
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,215)
1215

>  <Formula> (1,215)
C17H18N2O

>  <MolWeight> (1,215)
266.33762

>  <PCAT_CMPD_ID> (1,215)
WAY-384186

>  <CNC_ID> (1,215)
359400188

>  <transfer_container_id> (1,215)
PTN000000072

>  <COMPOUND_NUMBER> (1,215)
WAY-384186

>  <LOCATION_CODE> (1,215)
PTNCS

>  <AMOUNT_CURRENT> (1,215)
32.8

$$$$
WAY-384688
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,216)
1216

>  <Formula> (1,216)
C15H10N2O4S

>  <MolWeight> (1,216)
314.3159

>  <PCAT_CMPD_ID> (1,216)
WAY-384688

>  <CNC_ID> (1,216)
359400651

>  <transfer_container_id> (1,216)
PTN000000072

>  <COMPOUND_NUMBER> (1,216)
WAY-384688

>  <LOCATION_CODE> (1,216)
PTNCS

>  <AMOUNT_CURRENT> (1,216)
32.9

$$$$
WAY-385289
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,217)
1217

>  <Formula> (1,217)
C22H17BrN4OS

>  <MolWeight> (1,217)
465.36558

>  <PCAT_CMPD_ID> (1,217)
WAY-385289

>  <CNC_ID> (1,217)
359401204

>  <transfer_container_id> (1,217)
PTN000000072

>  <COMPOUND_NUMBER> (1,217)
WAY-385289

>  <LOCATION_CODE> (1,217)
PTNCS

>  <AMOUNT_CURRENT> (1,217)
33

$$$$
WAY-385441
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,218)
1218

>  <Formula> (1,218)
C10H18N2O4S

>  <MolWeight> (1,218)
262.32592

>  <PCAT_CMPD_ID> (1,218)
WAY-385441

>  <CNC_ID> (1,218)
359401320

>  <transfer_container_id> (1,218)
PTN000000072

>  <COMPOUND_NUMBER> (1,218)
WAY-385441

>  <LOCATION_CODE> (1,218)
PTNCS

>  <AMOUNT_CURRENT> (1,218)
33

$$$$
WL-144627
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,219)
1219

>  <Formula> (1,219)
C10H14O3

>  <MolWeight> (1,219)
182.21636

>  <PCAT_CMPD_ID> (1,219)
WL-144627

>  <CNC_ID> (1,219)
359407636

>  <transfer_container_id> (1,219)
PTN000000072

>  <COMPOUND_NUMBER> (1,219)
WL-144627

>  <LOCATION_CODE> (1,219)
PTNCS

>  <AMOUNT_CURRENT> (1,219)
33.6

$$$$
WAY-239108
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 14 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,220)
1220

>  <Formula> (1,220)
C16H17NO2

>  <MolWeight> (1,220)
255.31168

>  <PCAT_CMPD_ID> (1,220)
WAY-239108

>  <CNC_ID> (1,220)
359408089

>  <transfer_container_id> (1,220)
PTN000000073

>  <COMPOUND_NUMBER> (1,220)
WAY-239108

>  <LOCATION_CODE> (1,220)
PTNCS

>  <AMOUNT_CURRENT> (1,220)
33.5

$$$$
WAY-305956
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,221)
1221

>  <Formula> (1,221)
C14H8ClNO2S2

>  <MolWeight> (1,221)
321.80182

>  <PCAT_CMPD_ID> (1,221)
WAY-305956

>  <CNC_ID> (1,221)
359408457

>  <transfer_container_id> (1,221)
PTN000000073

>  <COMPOUND_NUMBER> (1,221)
WAY-305956

>  <LOCATION_CODE> (1,221)
PTNCS

>  <AMOUNT_CURRENT> (1,221)
33.1

$$$$
WAY-306032
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,222)
1222

>  <Formula> (1,222)
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>  <MolWeight> (1,222)
249.26734

>  <PCAT_CMPD_ID> (1,222)
WAY-306032

>  <CNC_ID> (1,222)
359408533

>  <transfer_container_id> (1,222)
PTN000000073

>  <COMPOUND_NUMBER> (1,222)
WAY-306032

>  <LOCATION_CODE> (1,222)
PTNCS

>  <AMOUNT_CURRENT> (1,222)
33.7

$$$$
WAY-306849-A
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,223)
1223

>  <Formula> (1,223)
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>  <MolWeight> (1,223)
249.30556

>  <PCAT_CMPD_ID> (1,223)
WAY-306849-A

>  <CNC_ID> (1,223)
359409347

>  <transfer_container_id> (1,223)
PTN000000073

>  <COMPOUND_NUMBER> (1,223)
WAY-306849-A

>  <LOCATION_CODE> (1,223)
PTNCS

>  <AMOUNT_CURRENT> (1,223)
33

$$$$
WAY-385687
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,224)
1224

>  <Formula> (1,224)
C18H16N4O2

>  <MolWeight> (1,224)
320.34524

>  <PCAT_CMPD_ID> (1,224)
WAY-385687

>  <CNC_ID> (1,224)
359412650

>  <transfer_container_id> (1,224)
PTN000000073

>  <COMPOUND_NUMBER> (1,224)
WAY-385687

>  <LOCATION_CODE> (1,224)
PTNCS

>  <AMOUNT_CURRENT> (1,224)
32.8

$$$$
WAY-386170
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  2  0  0  0  0
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 23 24  1  0  0  0  0
 15 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,225)
1225

>  <Formula> (1,225)
C17H13ClN2O4

>  <MolWeight> (1,225)
344.74912

>  <PCAT_CMPD_ID> (1,225)
WAY-386170

>  <CNC_ID> (1,225)
359413113

>  <transfer_container_id> (1,225)
PTN000000073

>  <COMPOUND_NUMBER> (1,225)
WAY-386170

>  <LOCATION_CODE> (1,225)
PTNCS

>  <AMOUNT_CURRENT> (1,225)
32.4

$$$$
WAY-386329
csChFnd80/10101909502D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,226)
1226

>  <Formula> (1,226)
C26H25N5O3S

>  <MolWeight> (1,226)
487.5734

>  <PCAT_CMPD_ID> (1,226)
WAY-386329

>  <CNC_ID> (1,226)
359413260

>  <transfer_container_id> (1,226)
PTN000000073

>  <COMPOUND_NUMBER> (1,226)
WAY-386329

>  <LOCATION_CODE> (1,226)
PTNCS

>  <AMOUNT_CURRENT> (1,226)
32.8

$$$$
WAY-386796
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,227)
1227

>  <Formula> (1,227)
C15H18N2O4S

>  <MolWeight> (1,227)
322.37942

>  <PCAT_CMPD_ID> (1,227)
WAY-386796

>  <CNC_ID> (1,227)
359413522

>  <transfer_container_id> (1,227)
PTN000000073

>  <COMPOUND_NUMBER> (1,227)
WAY-386796

>  <LOCATION_CODE> (1,227)
PTNCS

>  <AMOUNT_CURRENT> (1,227)
32.4

$$$$
WAY-386978
csChFnd80/10101909502D

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  3  2  2  0  0  0  0
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 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12  8  1  0  0  0  0
 13  5  2  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
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 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
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 22 17  2  0  0  0  0
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 11 12  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C20H21N3O2

>  <MolWeight> (1,228)
335.39964

>  <PCAT_CMPD_ID> (1,228)
WAY-386978

>  <CNC_ID> (1,228)
359413708

>  <transfer_container_id> (1,228)
PTN000000073

>  <COMPOUND_NUMBER> (1,228)
WAY-386978

>  <LOCATION_CODE> (1,228)
PTNCS

>  <AMOUNT_CURRENT> (1,228)
32.2

$$$$
WAY-386995
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
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 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  5  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
 17 24  1  0  0  0  0
 18  3  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
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  5  7  1  0  0  0  0
 17 23  1  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,229)
1229

>  <Formula> (1,229)
C17H18F3N3O2S

>  <MolWeight> (1,229)
385.4039296

>  <PCAT_CMPD_ID> (1,229)
WAY-386995

>  <CNC_ID> (1,229)
359413725

>  <transfer_container_id> (1,229)
PTN000000073

>  <COMPOUND_NUMBER> (1,229)
WAY-386995

>  <LOCATION_CODE> (1,229)
PTNCS

>  <AMOUNT_CURRENT> (1,229)
32.4

$$$$
WAY-345947-A
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
  2  6  1  0  0  0  0
  9  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,230)
1230

>  <Formula> (1,230)
C14H27NO

>  <MolWeight> (1,230)
225.37028

>  <PCAT_CMPD_ID> (1,230)
WAY-345947-A

>  <CNC_ID> (1,230)
359433851

>  <transfer_container_id> (1,230)
PTN000000075

>  <COMPOUND_NUMBER> (1,230)
WAY-345947-A

>  <LOCATION_CODE> (1,230)
PTNCS

>  <AMOUNT_CURRENT> (1,230)
32.6

$$$$
WAY-345967
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.5792   -5.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  6  1  0  0  0  0
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 12  4  2  0  0  0  0
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 15  7  1  0  0  0  0
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 22 15  1  0  0  0  0
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 27 23  1  0  0  0  0
 28 22  2  0  0  0  0
 29 26  1  0  0  0  0
 30 27  2  0  0  0  0
  7  9  2  0  0  0  0
  5  4  1  0  0  0  0
 30 28  1  0  0  0  0
 29 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,231)
1231

>  <Formula> (1,231)
C22H19N3O3S2

>  <MolWeight> (1,231)
437.53456

>  <PCAT_CMPD_ID> (1,231)
WAY-345967

>  <CNC_ID> (1,231)
359433868

>  <transfer_container_id> (1,231)
PTN000000075

>  <COMPOUND_NUMBER> (1,231)
WAY-345967

>  <LOCATION_CODE> (1,231)
PTNCS

>  <AMOUNT_CURRENT> (1,231)
32.3

$$$$
WAY-347217
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.6738    0.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
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  8  9  1  0  0  0  0
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  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
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 13 16  1  0  0  0  0
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 25 20  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,232)
1232

>  <Formula> (1,232)
C21H16N2O2

>  <MolWeight> (1,232)
328.36394

>  <PCAT_CMPD_ID> (1,232)
WAY-347217

>  <CNC_ID> (1,232)
359435086

>  <transfer_container_id> (1,232)
PTN000000075

>  <COMPOUND_NUMBER> (1,232)
WAY-347217

>  <LOCATION_CODE> (1,232)
PTNCS

>  <AMOUNT_CURRENT> (1,232)
32.9

$$$$
WAY-351923
csChFnd80/10101909502D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.8167   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
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 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,233)
1233

>  <Formula> (1,233)
C9H18N2

>  <MolWeight> (1,233)
154.25262

>  <PCAT_CMPD_ID> (1,233)
WAY-351923

>  <CNC_ID> (1,233)
359439612

>  <transfer_container_id> (1,233)
PTN000000075

>  <COMPOUND_NUMBER> (1,233)
WAY-351923

>  <LOCATION_CODE> (1,233)
PTNCS

>  <AMOUNT_CURRENT> (1,233)
32.7

$$$$
WAY-352489
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,234)
1234

>  <Formula> (1,234)
C13H19NO4

>  <MolWeight> (1,234)
253.29426

>  <PCAT_CMPD_ID> (1,234)
WAY-352489

>  <CNC_ID> (1,234)
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>  <transfer_container_id> (1,234)
PTN000000075

>  <COMPOUND_NUMBER> (1,234)
WAY-352489

>  <LOCATION_CODE> (1,234)
PTNCS

>  <AMOUNT_CURRENT> (1,234)
32.3

$$$$
WAY-353400
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,235)
1235

>  <Formula> (1,235)
C16H19NO3S

>  <MolWeight> (1,235)
305.39196

>  <PCAT_CMPD_ID> (1,235)
WAY-353400

>  <CNC_ID> (1,235)
359441040

>  <transfer_container_id> (1,235)
PTN000000075

>  <COMPOUND_NUMBER> (1,235)
WAY-353400

>  <LOCATION_CODE> (1,235)
PTNCS

>  <AMOUNT_CURRENT> (1,235)
32.1

$$$$
WAY-354176
csChFnd80/10101909502D

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 17  8  1  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,236)
1236

>  <Formula> (1,236)
C18H22N2O3

>  <MolWeight> (1,236)
314.37888

>  <PCAT_CMPD_ID> (1,236)
WAY-354176

>  <CNC_ID> (1,236)
359441802

>  <transfer_container_id> (1,236)
PTN000000075

>  <COMPOUND_NUMBER> (1,236)
WAY-354176

>  <LOCATION_CODE> (1,236)
PTNCS

>  <AMOUNT_CURRENT> (1,236)
32.6

$$$$
WAY-357753
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,237)
1237

>  <Formula> (1,237)
C22H18FNO4

>  <MolWeight> (1,237)
379.3810232

>  <PCAT_CMPD_ID> (1,237)
WAY-357753

>  <CNC_ID> (1,237)
359445473

>  <transfer_container_id> (1,237)
PTN000000076

>  <COMPOUND_NUMBER> (1,237)
WAY-357753

>  <LOCATION_CODE> (1,237)
PTNCS

>  <AMOUNT_CURRENT> (1,237)
32.1

$$$$
WAY-357964
csChFnd80/10101909502D

 11 12  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,238)
1238

>  <Formula> (1,238)
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>  <MolWeight> (1,238)
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>  <PCAT_CMPD_ID> (1,238)
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>  <CNC_ID> (1,238)
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>  <transfer_container_id> (1,238)
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>  <COMPOUND_NUMBER> (1,238)
WAY-357964

>  <LOCATION_CODE> (1,238)
PTNCS

>  <AMOUNT_CURRENT> (1,238)
32.7

$$$$
WAY-358810
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,239)
1239

>  <Formula> (1,239)
C22H23N3O4

>  <MolWeight> (1,239)
393.43572

>  <PCAT_CMPD_ID> (1,239)
WAY-358810

>  <CNC_ID> (1,239)
359446512

>  <transfer_container_id> (1,239)
PTN000000076

>  <COMPOUND_NUMBER> (1,239)
WAY-358810

>  <LOCATION_CODE> (1,239)
PTNCS

>  <AMOUNT_CURRENT> (1,239)
32.3

$$$$
WAY-359084
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,240)
1240

>  <Formula> (1,240)
C18H17ClN2O4

>  <MolWeight> (1,240)
360.79158

>  <PCAT_CMPD_ID> (1,240)
WAY-359084

>  <CNC_ID> (1,240)
359446786

>  <transfer_container_id> (1,240)
PTN000000076

>  <COMPOUND_NUMBER> (1,240)
WAY-359084

>  <LOCATION_CODE> (1,240)
PTNCS

>  <AMOUNT_CURRENT> (1,240)
32.9

$$$$
WAY-380252
csChFnd80/10101909502D

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 10  2  1  0  0  0  0
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 13  5  1  0  0  0  0
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 17  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,241)
1241

>  <Formula> (1,241)
C19H29N3O4S

>  <MolWeight> (1,241)
395.51626

>  <PCAT_CMPD_ID> (1,241)
WAY-380252

>  <CNC_ID> (1,241)
359447930

>  <transfer_container_id> (1,241)
PTN000000076

>  <COMPOUND_NUMBER> (1,241)
WAY-380252

>  <LOCATION_CODE> (1,241)
PTNCS

>  <AMOUNT_CURRENT> (1,241)
32.5

$$$$
WAY-381544
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 11  2  2  0  0  0  0
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M  END
>  <Mol_ID> (1,242)
1242

>  <Formula> (1,242)
C14H19NO4

>  <MolWeight> (1,242)
265.30496

>  <PCAT_CMPD_ID> (1,242)
WAY-381544

>  <CNC_ID> (1,242)
359449215

>  <transfer_container_id> (1,242)
PTN000000076

>  <COMPOUND_NUMBER> (1,242)
WAY-381544

>  <LOCATION_CODE> (1,242)
PTNCS

>  <AMOUNT_CURRENT> (1,242)
32.1

$$$$
WAY-311790
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,243)
1243

>  <Formula> (1,243)
C14H15N5O2S

>  <MolWeight> (1,243)
317.3662

>  <PCAT_CMPD_ID> (1,243)
WAY-311790

>  <CNC_ID> (1,243)
359315531

>  <transfer_container_id> (1,243)
PTN000000065

>  <COMPOUND_NUMBER> (1,243)
WAY-311790

>  <LOCATION_CODE> (1,243)
PTNCS

>  <AMOUNT_CURRENT> (1,243)
33.2

$$$$
WAY-643601
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,244)
1244

>  <Formula> (1,244)
C20H23ClFN3O3S

>  <MolWeight> (1,244)
439.9313232

>  <PCAT_CMPD_ID> (1,244)
WAY-643601

>  <CNC_ID> (1,244)
359325339

>  <transfer_container_id> (1,244)
PTN000000065

>  <COMPOUND_NUMBER> (1,244)
WAY-643601

>  <LOCATION_CODE> (1,244)
PTNCS

>  <AMOUNT_CURRENT> (1,244)
32.4

$$$$
WAY-624517
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,245)
1245

>  <Formula> (1,245)
C20H19N3O3S

>  <MolWeight> (1,245)
381.44816

>  <PCAT_CMPD_ID> (1,245)
WAY-624517

>  <CNC_ID> (1,245)
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>  <transfer_container_id> (1,245)
PTN000000065

>  <COMPOUND_NUMBER> (1,245)
WAY-624517

>  <LOCATION_CODE> (1,245)
PTNCS

>  <AMOUNT_CURRENT> (1,245)
32.1

$$$$
SD-38065
csChFnd80/10101909502D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,246)
1246

>  <Formula> (1,246)
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>  <MolWeight> (1,246)
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>  <PCAT_CMPD_ID> (1,246)
SD-38065

>  <CNC_ID> (1,246)
359326804

>  <transfer_container_id> (1,246)
PTN000000067

>  <COMPOUND_NUMBER> (1,246)
SD-38065

>  <LOCATION_CODE> (1,246)
PTNCS

>  <AMOUNT_CURRENT> (1,246)
32.8

$$$$
WAY-663196
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,247)
1247

>  <Formula> (1,247)
C16H14N2O5S

>  <MolWeight> (1,247)
346.35776

>  <PCAT_CMPD_ID> (1,247)
WAY-663196

>  <CNC_ID> (1,247)
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>  <transfer_container_id> (1,247)
PTN000000065

>  <COMPOUND_NUMBER> (1,247)
WAY-663196

>  <LOCATION_CODE> (1,247)
PTNCS

>  <AMOUNT_CURRENT> (1,247)
32.4

$$$$
WAY-643297
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,248)
1248

>  <Formula> (1,248)
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>  <MolWeight> (1,248)
442.33942

>  <PCAT_CMPD_ID> (1,248)
WAY-643297

>  <CNC_ID> (1,248)
359325035

>  <transfer_container_id> (1,248)
PTN000000065

>  <COMPOUND_NUMBER> (1,248)
WAY-643297

>  <LOCATION_CODE> (1,248)
PTNCS

>  <AMOUNT_CURRENT> (1,248)
32.5

$$$$
WAY-663741
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,249)
1249

>  <Formula> (1,249)
C15H12ClNO5

>  <MolWeight> (1,249)
321.71248

>  <PCAT_CMPD_ID> (1,249)
WAY-663741

>  <CNC_ID> (1,249)
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>  <transfer_container_id> (1,249)
PTN000000065

>  <COMPOUND_NUMBER> (1,249)
WAY-663741

>  <LOCATION_CODE> (1,249)
PTNCS

>  <AMOUNT_CURRENT> (1,249)
32.2

$$$$
WAY-663509
csChFnd80/10101909502D

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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,250)
1250

>  <Formula> (1,250)
C16H13F2NOS

>  <MolWeight> (1,250)
305.3423264

>  <PCAT_CMPD_ID> (1,250)
WAY-663509

>  <CNC_ID> (1,250)
359326412

>  <transfer_container_id> (1,250)
PTN000000065

>  <COMPOUND_NUMBER> (1,250)
WAY-663509

>  <LOCATION_CODE> (1,250)
PTNCS

>  <AMOUNT_CURRENT> (1,250)
32.2

$$$$
WAY-643484
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 15  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,251)
1251

>  <Formula> (1,251)
C18H12Cl2N2O3S3

>  <MolWeight> (1,251)
471.40048

>  <PCAT_CMPD_ID> (1,251)
WAY-643484

>  <CNC_ID> (1,251)
359325222

>  <transfer_container_id> (1,251)
PTN000000065

>  <COMPOUND_NUMBER> (1,251)
WAY-643484

>  <LOCATION_CODE> (1,251)
PTNCS

>  <AMOUNT_CURRENT> (1,251)
32.3

$$$$
WAY-643501
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,252)
1252

>  <Formula> (1,252)
C18H21N3O3S

>  <MolWeight> (1,252)
359.44264

>  <PCAT_CMPD_ID> (1,252)
WAY-643501

>  <CNC_ID> (1,252)
359325239

>  <transfer_container_id> (1,252)
PTN000000065

>  <COMPOUND_NUMBER> (1,252)
WAY-643501

>  <LOCATION_CODE> (1,252)
PTNCS

>  <AMOUNT_CURRENT> (1,252)
32.7

$$$$
WAY-616228
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,253)
1253

>  <Formula> (1,253)
C21H17NO3S

>  <MolWeight> (1,253)
363.42958

>  <PCAT_CMPD_ID> (1,253)
WAY-616228

>  <CNC_ID> (1,253)
359321313

>  <transfer_container_id> (1,253)
PTN000000065

>  <COMPOUND_NUMBER> (1,253)
WAY-616228

>  <LOCATION_CODE> (1,253)
PTNCS

>  <AMOUNT_CURRENT> (1,253)
32.1

$$$$
WAY-662851
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,254)
1254

>  <Formula> (1,254)
C18H13FO5

>  <MolWeight> (1,254)
328.2912232

>  <PCAT_CMPD_ID> (1,254)
WAY-662851

>  <CNC_ID> (1,254)
359325754

>  <transfer_container_id> (1,254)
PTN000000065

>  <COMPOUND_NUMBER> (1,254)
WAY-662851

>  <LOCATION_CODE> (1,254)
PTNCS

>  <AMOUNT_CURRENT> (1,254)
32.7

$$$$
WAY-643475
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,255)
1255

>  <Formula> (1,255)
C17H16FN3O3

>  <MolWeight> (1,255)
329.3256432

>  <PCAT_CMPD_ID> (1,255)
WAY-643475

>  <CNC_ID> (1,255)
359325213

>  <transfer_container_id> (1,255)
PTN000000065

>  <COMPOUND_NUMBER> (1,255)
WAY-643475

>  <LOCATION_CODE> (1,255)
PTNCS

>  <AMOUNT_CURRENT> (1,255)
32.4

$$$$
WAY-643999
csChFnd80/10101909502D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,256)
1256

>  <Formula> (1,256)
C23H17ClN4O2S

>  <MolWeight> (1,256)
448.92468

>  <PCAT_CMPD_ID> (1,256)
WAY-643999

>  <CNC_ID> (1,256)
359325738

>  <transfer_container_id> (1,256)
PTN000000065

>  <COMPOUND_NUMBER> (1,256)
WAY-643999

>  <LOCATION_CODE> (1,256)
PTNCS

>  <AMOUNT_CURRENT> (1,256)
32

$$$$
WAY-616509
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 15  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,257)
1257

>  <Formula> (1,257)
C13H7ClF3N5S

>  <MolWeight> (1,257)
357.7413896

>  <PCAT_CMPD_ID> (1,257)
WAY-616509

>  <CNC_ID> (1,257)
359321595

>  <transfer_container_id> (1,257)
PTN000000065

>  <COMPOUND_NUMBER> (1,257)
WAY-616509

>  <LOCATION_CODE> (1,257)
PTNCS

>  <AMOUNT_CURRENT> (1,257)
32.2

$$$$
WAY-643595
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,258)
1258

>  <Formula> (1,258)
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>  <MolWeight> (1,258)
365.46868

>  <PCAT_CMPD_ID> (1,258)
WAY-643595

>  <CNC_ID> (1,258)
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>  <transfer_container_id> (1,258)
PTN000000065

>  <COMPOUND_NUMBER> (1,258)
WAY-643595

>  <LOCATION_CODE> (1,258)
PTNCS

>  <AMOUNT_CURRENT> (1,258)
32.5

$$$$
WAY-663631
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,259)
1259

>  <Formula> (1,259)
C16H16ClN3O3S

>  <MolWeight> (1,259)
365.83454

>  <PCAT_CMPD_ID> (1,259)
WAY-663631

>  <CNC_ID> (1,259)
359326534

>  <transfer_container_id> (1,259)
PTN000000065

>  <COMPOUND_NUMBER> (1,259)
WAY-663631

>  <LOCATION_CODE> (1,259)
PTNCS

>  <AMOUNT_CURRENT> (1,259)
32

$$$$
WAY-616627
csChFnd80/10101909502D

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 20  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,260)
1260

>  <Formula> (1,260)
C15H18F3N3O3

>  <MolWeight> (1,260)
345.3169296

>  <PCAT_CMPD_ID> (1,260)
WAY-616627

>  <CNC_ID> (1,260)
359321713

>  <transfer_container_id> (1,260)
PTN000000065

>  <COMPOUND_NUMBER> (1,260)
WAY-616627

>  <LOCATION_CODE> (1,260)
PTNCS

>  <AMOUNT_CURRENT> (1,260)
32.9

$$$$
WAY-663550
csChFnd80/10101909502D

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 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (1,261)
1261

>  <Formula> (1,261)
C19H19N3OS

>  <MolWeight> (1,261)
337.43866

>  <PCAT_CMPD_ID> (1,261)
WAY-663550

>  <CNC_ID> (1,261)
359326453

>  <transfer_container_id> (1,261)
PTN000000065

>  <COMPOUND_NUMBER> (1,261)
WAY-663550

>  <LOCATION_CODE> (1,261)
PTNCS

>  <AMOUNT_CURRENT> (1,261)
32.4

$$$$
WAY-662945
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,262)
1262

>  <Formula> (1,262)
C22H25ClN2O5S

>  <MolWeight> (1,262)
464.9623

>  <PCAT_CMPD_ID> (1,262)
WAY-662945

>  <CNC_ID> (1,262)
359325848

>  <transfer_container_id> (1,262)
PTN000000065

>  <COMPOUND_NUMBER> (1,262)
WAY-662945

>  <LOCATION_CODE> (1,262)
PTNCS

>  <AMOUNT_CURRENT> (1,262)
32.3

$$$$
WAY-624963
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,263)
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>  <Formula> (1,263)
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>  <MolWeight> (1,263)
326.3217032

>  <PCAT_CMPD_ID> (1,263)
WAY-624963

>  <CNC_ID> (1,263)
359323384

>  <transfer_container_id> (1,263)
PTN000000065

>  <COMPOUND_NUMBER> (1,263)
WAY-624963

>  <LOCATION_CODE> (1,263)
PTNCS

>  <AMOUNT_CURRENT> (1,263)
32

$$$$
WAY-616227
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,264)
1264

>  <Formula> (1,264)
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>  <MolWeight> (1,264)
161.16068

>  <PCAT_CMPD_ID> (1,264)
WAY-616227

>  <CNC_ID> (1,264)
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>  <transfer_container_id> (1,264)
PTN000000065

>  <COMPOUND_NUMBER> (1,264)
WAY-616227

>  <LOCATION_CODE> (1,264)
PTNCS

>  <AMOUNT_CURRENT> (1,264)
32.2

$$$$
WAY-663105
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,265)
1265

>  <Formula> (1,265)
C18H13N3O3

>  <MolWeight> (1,265)
319.31412

>  <PCAT_CMPD_ID> (1,265)
WAY-663105

>  <CNC_ID> (1,265)
359326008

>  <transfer_container_id> (1,265)
PTN000000065

>  <COMPOUND_NUMBER> (1,265)
WAY-663105

>  <LOCATION_CODE> (1,265)
PTNCS

>  <AMOUNT_CURRENT> (1,265)
32.9

$$$$
WAY-642801
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,266)
1266

>  <Formula> (1,266)
C16H10ClFN2O3S2

>  <MolWeight> (1,266)
396.8436032

>  <PCAT_CMPD_ID> (1,266)
WAY-642801

>  <CNC_ID> (1,266)
359324539

>  <transfer_container_id> (1,266)
PTN000000065

>  <COMPOUND_NUMBER> (1,266)
WAY-642801

>  <LOCATION_CODE> (1,266)
PTNCS

>  <AMOUNT_CURRENT> (1,266)
32.8

$$$$
WAY-625635
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,267)
1267

>  <Formula> (1,267)
C21H20N2O4S

>  <MolWeight> (1,267)
396.4595

>  <PCAT_CMPD_ID> (1,267)
WAY-625635

>  <CNC_ID> (1,267)
359334444

>  <transfer_container_id> (1,267)
PTN000000067

>  <COMPOUND_NUMBER> (1,267)
WAY-625635

>  <LOCATION_CODE> (1,267)
PTNCS

>  <AMOUNT_CURRENT> (1,267)
33

$$$$
WAY-625704
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,268)
1268

>  <Formula> (1,268)
C12H12N4O

>  <MolWeight> (1,268)
228.24988

>  <PCAT_CMPD_ID> (1,268)
WAY-625704

>  <CNC_ID> (1,268)
359334513

>  <transfer_container_id> (1,268)
PTN000000067

>  <COMPOUND_NUMBER> (1,268)
WAY-625704

>  <LOCATION_CODE> (1,268)
PTNCS

>  <AMOUNT_CURRENT> (1,268)
32.9

$$$$
WAY-626766-A
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,269)
1269

>  <Formula> (1,269)
C15H21NO3

>  <MolWeight> (1,269)
263.33214

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WAY-626766-A

>  <CNC_ID> (1,269)
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>  <transfer_container_id> (1,269)
PTN000000067

>  <COMPOUND_NUMBER> (1,269)
WAY-626766-A

>  <LOCATION_CODE> (1,269)
PTNCS

>  <AMOUNT_CURRENT> (1,269)
32.2

$$$$
WAY-644438
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,270)
1270

>  <Formula> (1,270)
C19H14F3N3O2

>  <MolWeight> (1,270)
373.3285696

>  <PCAT_CMPD_ID> (1,270)
WAY-644438

>  <CNC_ID> (1,270)
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>  <transfer_container_id> (1,270)
PTN000000067

>  <COMPOUND_NUMBER> (1,270)
WAY-644438

>  <LOCATION_CODE> (1,270)
PTNCS

>  <AMOUNT_CURRENT> (1,270)
32.8

$$$$
WAY-645901
csChFnd80/10101909502D

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>  <Mol_ID> (1,271)
1271

>  <Formula> (1,271)
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>  <MolWeight> (1,271)
268.31044

>  <PCAT_CMPD_ID> (1,271)
WAY-645901

>  <CNC_ID> (1,271)
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>  <transfer_container_id> (1,271)
PTN000000067

>  <COMPOUND_NUMBER> (1,271)
WAY-645901

>  <LOCATION_CODE> (1,271)
PTNCS

>  <AMOUNT_CURRENT> (1,271)
32.5

$$$$
WAY-269004
csChFnd80/10101909502D

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>  <Mol_ID> (1,272)
1272

>  <Formula> (1,272)
C19H20N2O2

>  <MolWeight> (1,272)
308.3743

>  <PCAT_CMPD_ID> (1,272)
WAY-269004

>  <CNC_ID> (1,272)
359354307

>  <transfer_container_id> (1,272)
PTN000000069

>  <COMPOUND_NUMBER> (1,272)
WAY-269004

>  <LOCATION_CODE> (1,272)
PTNCS

>  <AMOUNT_CURRENT> (1,272)
32.5

$$$$
WAY-613314-A
csChFnd80/10101909502D

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>  <Mol_ID> (1,273)
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>  <Formula> (1,273)
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>  <MolWeight> (1,273)
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>  <PCAT_CMPD_ID> (1,273)
WAY-613314

>  <CNC_ID> (1,273)
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>  <transfer_container_id> (1,273)
PTN000000069

>  <COMPOUND_NUMBER> (1,273)
WAY-613314

>  <LOCATION_CODE> (1,273)
PTNCS

>  <AMOUNT_CURRENT> (1,273)
32.9

$$$$
WAY-613471
csChFnd80/10101909502D

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>  <Mol_ID> (1,274)
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>  <MolWeight> (1,274)
252.35578

>  <PCAT_CMPD_ID> (1,274)
WAY-613471

>  <CNC_ID> (1,274)
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>  <transfer_container_id> (1,274)
PTN000000069

>  <COMPOUND_NUMBER> (1,274)
WAY-613471

>  <LOCATION_CODE> (1,274)
PTNCS

>  <AMOUNT_CURRENT> (1,274)
32.9

$$$$
WAY-613499
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,275)
1275

>  <Formula> (1,275)
C18H16N2O3S

>  <MolWeight> (1,275)
340.39624

>  <PCAT_CMPD_ID> (1,275)
WAY-613499

>  <CNC_ID> (1,275)
359361522

>  <transfer_container_id> (1,275)
PTN000000069

>  <COMPOUND_NUMBER> (1,275)
WAY-613499

>  <LOCATION_CODE> (1,275)
PTNCS

>  <AMOUNT_CURRENT> (1,275)
33

$$$$
WAY-614547
csChFnd80/10101909502D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,276)
1276

>  <Formula> (1,276)
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>  <MolWeight> (1,276)
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>  <COMPOUND_NUMBER> (1,276)
WAY-614547

>  <LOCATION_CODE> (1,276)
PTNCS

>  <AMOUNT_CURRENT> (1,276)
32.8

$$$$
WAY-614745
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,277)
1277

>  <Formula> (1,277)
C15H11FN4O3

>  <MolWeight> (1,277)
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>  <PCAT_CMPD_ID> (1,277)
WAY-614745

>  <CNC_ID> (1,277)
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>  <transfer_container_id> (1,277)
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>  <COMPOUND_NUMBER> (1,277)
WAY-614745

>  <LOCATION_CODE> (1,277)
PTNCS

>  <AMOUNT_CURRENT> (1,277)
32.7

$$$$
WAY-630372
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,278)
1278

>  <Formula> (1,278)
C13H15N3O2S2

>  <MolWeight> (1,278)
309.4071

>  <PCAT_CMPD_ID> (1,278)
WAY-630372

>  <CNC_ID> (1,278)
359362891

>  <transfer_container_id> (1,278)
PTN000000069

>  <COMPOUND_NUMBER> (1,278)
WAY-630372

>  <LOCATION_CODE> (1,278)
PTNCS

>  <AMOUNT_CURRENT> (1,278)
32.3

$$$$
WAY-630546
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,279)
1279

>  <Formula> (1,279)
C16H11ClFN3O2

>  <MolWeight> (1,279)
331.7288432

>  <PCAT_CMPD_ID> (1,279)
WAY-630546

>  <CNC_ID> (1,279)
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>  <transfer_container_id> (1,279)
PTN000000069

>  <COMPOUND_NUMBER> (1,279)
WAY-630546

>  <LOCATION_CODE> (1,279)
PTNCS

>  <AMOUNT_CURRENT> (1,279)
32.5

$$$$
WAY-631352
csChFnd80/10101909502D

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 10  5  1  0  0  0  0
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 12  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,280)
1280

>  <Formula> (1,280)
C18H14ClNO2

>  <MolWeight> (1,280)
311.76226

>  <PCAT_CMPD_ID> (1,280)
WAY-631352

>  <CNC_ID> (1,280)
359363872

>  <transfer_container_id> (1,280)
PTN000000069

>  <COMPOUND_NUMBER> (1,280)
WAY-631352

>  <LOCATION_CODE> (1,280)
PTNCS

>  <AMOUNT_CURRENT> (1,280)
32.6

$$$$
WAY-631440
csChFnd80/10101909502D

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 10 17  1  0  0  0  0
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  8  6  2  0  0  0  0
 16 10  1  0  0  0  0
 25 26  1  0  0  0  0
 28 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,281)
1281

>  <Formula> (1,281)
C20H19FN4O3

>  <MolWeight> (1,281)
382.3882632

>  <PCAT_CMPD_ID> (1,281)
WAY-631440

>  <CNC_ID> (1,281)
359363960

>  <transfer_container_id> (1,281)
PTN000000069

>  <COMPOUND_NUMBER> (1,281)
WAY-631440

>  <LOCATION_CODE> (1,281)
PTNCS

>  <AMOUNT_CURRENT> (1,281)
32.7

$$$$
WAY-650090
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 15  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,282)
1282

>  <Formula> (1,282)
C17H17N5O

>  <MolWeight> (1,282)
307.34978

>  <PCAT_CMPD_ID> (1,282)
WAY-650090

>  <CNC_ID> (1,282)
359365797

>  <transfer_container_id> (1,282)
PTN000000069

>  <COMPOUND_NUMBER> (1,282)
WAY-650090

>  <LOCATION_CODE> (1,282)
PTNCS

>  <AMOUNT_CURRENT> (1,282)
32.6

$$$$
WAY-650108
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,283)
1283

>  <Formula> (1,283)
C13H14N2O2S

>  <MolWeight> (1,283)
262.32746

>  <PCAT_CMPD_ID> (1,283)
WAY-650108

>  <CNC_ID> (1,283)
359365815

>  <transfer_container_id> (1,283)
PTN000000069

>  <COMPOUND_NUMBER> (1,283)
WAY-650108

>  <LOCATION_CODE> (1,283)
PTNCS

>  <AMOUNT_CURRENT> (1,283)
32.5

$$$$
WAY-650695
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,284)
1284

>  <Formula> (1,284)
C17H13ClN2O2

>  <MolWeight> (1,284)
312.75032

>  <PCAT_CMPD_ID> (1,284)
WAY-650695

>  <CNC_ID> (1,284)
359366402

>  <transfer_container_id> (1,284)
PTN000000069

>  <COMPOUND_NUMBER> (1,284)
WAY-650695

>  <LOCATION_CODE> (1,284)
PTNCS

>  <AMOUNT_CURRENT> (1,284)
33

$$$$
WAY-650720
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,285)
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>  <Formula> (1,285)
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>  <MolWeight> (1,285)
268.31044

>  <PCAT_CMPD_ID> (1,285)
WAY-650720

>  <CNC_ID> (1,285)
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>  <transfer_container_id> (1,285)
PTN000000069

>  <COMPOUND_NUMBER> (1,285)
WAY-650720

>  <LOCATION_CODE> (1,285)
PTNCS

>  <AMOUNT_CURRENT> (1,285)
32.7

$$$$
WAY-651210
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,286)
1286

>  <Formula> (1,286)
C15H19N3O3

>  <MolWeight> (1,286)
289.32966

>  <PCAT_CMPD_ID> (1,286)
WAY-651210

>  <CNC_ID> (1,286)
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>  <transfer_container_id> (1,286)
PTN000000069

>  <COMPOUND_NUMBER> (1,286)
WAY-651210

>  <LOCATION_CODE> (1,286)
PTNCS

>  <AMOUNT_CURRENT> (1,286)
32.3

$$$$
WAY-651579
csChFnd80/10101909502D

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  9  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,287)
1287

>  <Formula> (1,287)
C16H15FN2O2

>  <MolWeight> (1,287)
286.3009032

>  <PCAT_CMPD_ID> (1,287)
WAY-651579

>  <CNC_ID> (1,287)
359367286

>  <transfer_container_id> (1,287)
PTN000000069

>  <COMPOUND_NUMBER> (1,287)
WAY-651579

>  <LOCATION_CODE> (1,287)
PTNCS

>  <AMOUNT_CURRENT> (1,287)
32.7

$$$$
WAY-651633
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,288)
1288

>  <Formula> (1,288)
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>  <MolWeight> (1,288)
387.3551496

>  <PCAT_CMPD_ID> (1,288)
WAY-651633

>  <CNC_ID> (1,288)
359367340

>  <transfer_container_id> (1,288)
PTN000000069

>  <COMPOUND_NUMBER> (1,288)
WAY-651633

>  <LOCATION_CODE> (1,288)
PTNCS

>  <AMOUNT_CURRENT> (1,288)
32.2

$$$$
WAY-270884
csChFnd80/10101909502D

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>  <Mol_ID> (1,289)
1289

>  <Formula> (1,289)
C15H18N2O4S

>  <MolWeight> (1,289)
322.37942

>  <PCAT_CMPD_ID> (1,289)
WAY-270884

>  <CNC_ID> (1,289)
359369713

>  <transfer_container_id> (1,289)
PTN000000070

>  <COMPOUND_NUMBER> (1,289)
WAY-270884

>  <LOCATION_CODE> (1,289)
PTNCS

>  <AMOUNT_CURRENT> (1,289)
32.5

$$$$
WAY-270919
csChFnd80/10101909502D

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>  <Mol_ID> (1,290)
1290

>  <Formula> (1,290)
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>  <MolWeight> (1,290)
242.2963

>  <PCAT_CMPD_ID> (1,290)
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>  <CNC_ID> (1,290)
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>  <transfer_container_id> (1,290)
PTN000000070

>  <COMPOUND_NUMBER> (1,290)
WAY-270919

>  <LOCATION_CODE> (1,290)
PTNCS

>  <AMOUNT_CURRENT> (1,290)
32.5

$$$$
WAY-600624
csChFnd80/10101909502D

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>  <Formula> (1,291)
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>  <MolWeight> (1,291)
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>  <CNC_ID> (1,291)
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>  <transfer_container_id> (1,291)
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>  <COMPOUND_NUMBER> (1,291)
WAY-600624

>  <LOCATION_CODE> (1,291)
PTNCS

>  <AMOUNT_CURRENT> (1,291)
32.5

$$$$
WAY-601365
csChFnd80/10101909502D

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WAY-601365

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PTN000000070

>  <COMPOUND_NUMBER> (1,292)
WAY-601365

>  <LOCATION_CODE> (1,292)
PTNCS

>  <AMOUNT_CURRENT> (1,292)
32.5

$$$$
WAY-601379
csChFnd80/10101909502D

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>  <Mol_ID> (1,293)
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>  <Formula> (1,293)
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>  <COMPOUND_NUMBER> (1,293)
WAY-601379

>  <LOCATION_CODE> (1,293)
PTNCS

>  <AMOUNT_CURRENT> (1,293)
32.3

$$$$
WAY-601049
csChFnd80/10101909502D

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>  <Mol_ID> (1,294)
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>  <Formula> (1,294)
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>  <CNC_ID> (1,294)
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>  <COMPOUND_NUMBER> (1,294)
WAY-601049

>  <LOCATION_CODE> (1,294)
PTNCS

>  <AMOUNT_CURRENT> (1,294)
32.1

$$$$
WAY-601088
csChFnd80/10101909502D

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>  <Mol_ID> (1,295)
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>  <Formula> (1,295)
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>  <MolWeight> (1,295)
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>  <PCAT_CMPD_ID> (1,295)
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>  <CNC_ID> (1,295)
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>  <transfer_container_id> (1,295)
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>  <COMPOUND_NUMBER> (1,295)
WAY-601088

>  <LOCATION_CODE> (1,295)
PTNCS

>  <AMOUNT_CURRENT> (1,295)
32.5

$$$$
WAY-615147
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,296)
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>  <Formula> (1,296)
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>  <MolWeight> (1,296)
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>  <PCAT_CMPD_ID> (1,296)
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>  <CNC_ID> (1,296)
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>  <transfer_container_id> (1,296)
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>  <COMPOUND_NUMBER> (1,296)
WAY-615147

>  <LOCATION_CODE> (1,296)
PTNCS

>  <AMOUNT_CURRENT> (1,296)
33

$$$$
WAY-615254
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,297)
1297

>  <Formula> (1,297)
C15H18N4O

>  <MolWeight> (1,297)
270.32962

>  <PCAT_CMPD_ID> (1,297)
WAY-615254

>  <CNC_ID> (1,297)
359375976

>  <transfer_container_id> (1,297)
PTN000000070

>  <COMPOUND_NUMBER> (1,297)
WAY-615254

>  <LOCATION_CODE> (1,297)
PTNCS

>  <AMOUNT_CURRENT> (1,297)
33

$$$$
WAY-615256
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,298)
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>  <Formula> (1,298)
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>  <MolWeight> (1,298)
274.81328

>  <PCAT_CMPD_ID> (1,298)
WAY-615256

>  <CNC_ID> (1,298)
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>  <transfer_container_id> (1,298)
PTN000000070

>  <COMPOUND_NUMBER> (1,298)
WAY-615256

>  <LOCATION_CODE> (1,298)
PTNCS

>  <AMOUNT_CURRENT> (1,298)
32.7

$$$$
WAY-615338
csChFnd80/10101909502D

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>  <Mol_ID> (1,299)
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>  <Formula> (1,299)
C16H14N4O3

>  <MolWeight> (1,299)
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>  <PCAT_CMPD_ID> (1,299)
WAY-615338

>  <CNC_ID> (1,299)
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>  <transfer_container_id> (1,299)
PTN000000070

>  <COMPOUND_NUMBER> (1,299)
WAY-615338

>  <LOCATION_CODE> (1,299)
PTNCS

>  <AMOUNT_CURRENT> (1,299)
32.2

$$$$
WAY-633397
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,300)
1300

>  <Formula> (1,300)
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>  <MolWeight> (1,300)
349.58494

>  <PCAT_CMPD_ID> (1,300)
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>  <CNC_ID> (1,300)
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>  <transfer_container_id> (1,300)
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>  <COMPOUND_NUMBER> (1,300)
WAY-633397

>  <LOCATION_CODE> (1,300)
PTNCS

>  <AMOUNT_CURRENT> (1,300)
32.5

$$$$
WAY-633416
csChFnd80/10101909502D

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>  <Mol_ID> (1,301)
1301

>  <Formula> (1,301)
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>  <MolWeight> (1,301)
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>  <PCAT_CMPD_ID> (1,301)
WAY-633416

>  <CNC_ID> (1,301)
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>  <transfer_container_id> (1,301)
PTN000000070

>  <COMPOUND_NUMBER> (1,301)
WAY-633416

>  <LOCATION_CODE> (1,301)
PTNCS

>  <AMOUNT_CURRENT> (1,301)
32

$$$$
WAY-633731
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,302)
1302

>  <Formula> (1,302)
C24H19N5O3

>  <MolWeight> (1,302)
425.43936

>  <PCAT_CMPD_ID> (1,302)
WAY-633731

>  <CNC_ID> (1,302)
359377847

>  <transfer_container_id> (1,302)
PTN000000070

>  <COMPOUND_NUMBER> (1,302)
WAY-633731

>  <LOCATION_CODE> (1,302)
PTNCS

>  <AMOUNT_CURRENT> (1,302)
32.4

$$$$
WAY-651662-A
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,303)
1303

>  <Formula> (1,303)
C16H18FNS

>  <MolWeight> (1,303)
275.3842232

>  <PCAT_CMPD_ID> (1,303)
WAY-651662

>  <CNC_ID> (1,303)
359378543

>  <transfer_container_id> (1,303)
PTN000000070

>  <COMPOUND_NUMBER> (1,303)
WAY-651662

>  <LOCATION_CODE> (1,303)
PTNCS

>  <AMOUNT_CURRENT> (1,303)
32.8

$$$$
WAY-651702
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,304)
1304

>  <Formula> (1,304)
C8H8N2O2S

>  <MolWeight> (1,304)
196.22632

>  <PCAT_CMPD_ID> (1,304)
WAY-651702

>  <CNC_ID> (1,304)
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>  <transfer_container_id> (1,304)
PTN000000070

>  <COMPOUND_NUMBER> (1,304)
WAY-651702

>  <LOCATION_CODE> (1,304)
PTNCS

>  <AMOUNT_CURRENT> (1,304)
32.9

$$$$
WAY-651874
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,305)
1305

>  <Formula> (1,305)
C22H20O5

>  <MolWeight> (1,305)
364.3912

>  <PCAT_CMPD_ID> (1,305)
WAY-651874

>  <CNC_ID> (1,305)
359378755

>  <transfer_container_id> (1,305)
PTN000000070

>  <COMPOUND_NUMBER> (1,305)
WAY-651874

>  <LOCATION_CODE> (1,305)
PTNCS

>  <AMOUNT_CURRENT> (1,305)
32.2

$$$$
WAY-652233
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,306)
1306

>  <Formula> (1,306)
C15H11N3O4

>  <MolWeight> (1,306)
297.26554

>  <PCAT_CMPD_ID> (1,306)
WAY-652233

>  <CNC_ID> (1,306)
359379114

>  <transfer_container_id> (1,306)
PTN000000070

>  <COMPOUND_NUMBER> (1,306)
WAY-652233

>  <LOCATION_CODE> (1,306)
PTNCS

>  <AMOUNT_CURRENT> (1,306)
32.8

$$$$
WAY-652250
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,307)
1307

>  <Formula> (1,307)
C21H22FNO3

>  <MolWeight> (1,307)
355.4026832

>  <PCAT_CMPD_ID> (1,307)
WAY-652250

>  <CNC_ID> (1,307)
359379131

>  <transfer_container_id> (1,307)
PTN000000070

>  <COMPOUND_NUMBER> (1,307)
WAY-652250

>  <LOCATION_CODE> (1,307)
PTNCS

>  <AMOUNT_CURRENT> (1,307)
32.9

$$$$
WAY-652276
csChFnd80/10101909502D

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 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,308)
1308

>  <Formula> (1,308)
C17H17ClN4O

>  <MolWeight> (1,308)
328.79608

>  <PCAT_CMPD_ID> (1,308)
WAY-652276

>  <CNC_ID> (1,308)
359379157

>  <transfer_container_id> (1,308)
PTN000000070

>  <COMPOUND_NUMBER> (1,308)
WAY-652276

>  <LOCATION_CODE> (1,308)
PTNCS

>  <AMOUNT_CURRENT> (1,308)
32.7

$$$$
WAY-652294
csChFnd80/10101909502D

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 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  3  2  0  0  0  0
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M  END
>  <Mol_ID> (1,309)
1309

>  <Formula> (1,309)
C20H18FN3O3S

>  <MolWeight> (1,309)
399.4386232

>  <PCAT_CMPD_ID> (1,309)
WAY-652294

>  <CNC_ID> (1,309)
359379175

>  <transfer_container_id> (1,309)
PTN000000070

>  <COMPOUND_NUMBER> (1,309)
WAY-652294

>  <LOCATION_CODE> (1,309)
PTNCS

>  <AMOUNT_CURRENT> (1,309)
33

$$$$
WAY-652405
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,310)
1310

>  <Formula> (1,310)
C19H20F3N3O

>  <MolWeight> (1,310)
363.3768096

>  <PCAT_CMPD_ID> (1,310)
WAY-652405

>  <CNC_ID> (1,310)
359379286

>  <transfer_container_id> (1,310)
PTN000000070

>  <COMPOUND_NUMBER> (1,310)
WAY-652405

>  <LOCATION_CODE> (1,310)
PTNCS

>  <AMOUNT_CURRENT> (1,310)
32.2

$$$$
WAY-652434
csChFnd80/10101909502D

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>  <Mol_ID> (1,311)
1311

>  <Formula> (1,311)
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>  <MolWeight> (1,311)
254.66634

>  <PCAT_CMPD_ID> (1,311)
WAY-652434

>  <CNC_ID> (1,311)
359379315

>  <transfer_container_id> (1,311)
PTN000000070

>  <COMPOUND_NUMBER> (1,311)
WAY-652434

>  <LOCATION_CODE> (1,311)
PTNCS

>  <AMOUNT_CURRENT> (1,311)
32

$$$$
WAY-652439
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,312)
1312

>  <Formula> (1,312)
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>  <MolWeight> (1,312)
216.23588

>  <PCAT_CMPD_ID> (1,312)
WAY-652439

>  <CNC_ID> (1,312)
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>  <transfer_container_id> (1,312)
PTN000000070

>  <COMPOUND_NUMBER> (1,312)
WAY-652439

>  <LOCATION_CODE> (1,312)
PTNCS

>  <AMOUNT_CURRENT> (1,312)
32.7

$$$$
WAY-652440
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,313)
1313

>  <Formula> (1,313)
C15H9NO3

>  <MolWeight> (1,313)
251.23686

>  <PCAT_CMPD_ID> (1,313)
WAY-652440

>  <CNC_ID> (1,313)
359379321

>  <transfer_container_id> (1,313)
PTN000000070

>  <COMPOUND_NUMBER> (1,313)
WAY-652440

>  <LOCATION_CODE> (1,313)
PTNCS

>  <AMOUNT_CURRENT> (1,313)
32.1

$$$$
WAY-652576
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,314)
1314

>  <Formula> (1,314)
C20H19NO3

>  <MolWeight> (1,314)
321.36976

>  <PCAT_CMPD_ID> (1,314)
WAY-652576

>  <CNC_ID> (1,314)
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>  <transfer_container_id> (1,314)
PTN000000070

>  <COMPOUND_NUMBER> (1,314)
WAY-652576

>  <LOCATION_CODE> (1,314)
PTNCS

>  <AMOUNT_CURRENT> (1,314)
32.6

$$$$
WAY-653085
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,315)
1315

>  <Formula> (1,315)
C14H10N4O2S

>  <MolWeight> (1,315)
298.3198

>  <PCAT_CMPD_ID> (1,315)
WAY-653085

>  <CNC_ID> (1,315)
359379965

>  <transfer_container_id> (1,315)
PTN000000070

>  <COMPOUND_NUMBER> (1,315)
WAY-653085

>  <LOCATION_CODE> (1,315)
PTNCS

>  <AMOUNT_CURRENT> (1,315)
32.9

$$$$
WAY-653281
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,316)
1316

>  <Formula> (1,316)
C16H12N2O3S

>  <MolWeight> (1,316)
312.34308

>  <PCAT_CMPD_ID> (1,316)
WAY-653281

>  <CNC_ID> (1,316)
359380161

>  <transfer_container_id> (1,316)
PTN000000070

>  <COMPOUND_NUMBER> (1,316)
WAY-653281

>  <LOCATION_CODE> (1,316)
PTNCS

>  <AMOUNT_CURRENT> (1,316)
32.4

$$$$
WAY-271658
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,317)
1317

>  <Formula> (1,317)
C13H11ClN4OS2

>  <MolWeight> (1,317)
338.83564

>  <PCAT_CMPD_ID> (1,317)
WAY-271658

>  <CNC_ID> (1,317)
359381181

>  <transfer_container_id> (1,317)
PTN000000071

>  <COMPOUND_NUMBER> (1,317)
WAY-271658

>  <LOCATION_CODE> (1,317)
PTNCS

>  <AMOUNT_CURRENT> (1,317)
32.5

$$$$
WAY-272144
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,318)
1318

>  <Formula> (1,318)
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>  <MolWeight> (1,318)
411.4046664

>  <PCAT_CMPD_ID> (1,318)
WAY-272144

>  <CNC_ID> (1,318)
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>  <transfer_container_id> (1,318)
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>  <COMPOUND_NUMBER> (1,318)
WAY-272144

>  <LOCATION_CODE> (1,318)
PTNCS

>  <AMOUNT_CURRENT> (1,318)
32.5

$$$$
WAY-272926
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,319)
1319

>  <Formula> (1,319)
C18H16N2O3

>  <MolWeight> (1,319)
308.33124

>  <PCAT_CMPD_ID> (1,319)
WAY-272926

>  <CNC_ID> (1,319)
359382449

>  <transfer_container_id> (1,319)
PTN000000071

>  <COMPOUND_NUMBER> (1,319)
WAY-272926

>  <LOCATION_CODE> (1,319)
PTNCS

>  <AMOUNT_CURRENT> (1,319)
32.5

$$$$
WAY-601859
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,320)
1320

>  <Formula> (1,320)
C16H13N5

>  <MolWeight> (1,320)
275.30792

>  <PCAT_CMPD_ID> (1,320)
WAY-601859

>  <CNC_ID> (1,320)
359387807

>  <transfer_container_id> (1,320)
PTN000000071

>  <COMPOUND_NUMBER> (1,320)
WAY-601859

>  <LOCATION_CODE> (1,320)
PTNCS

>  <AMOUNT_CURRENT> (1,320)
32.7

$$$$
WAY-601922
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,321)
1321

>  <Formula> (1,321)
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>  <MolWeight> (1,321)
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>  <PCAT_CMPD_ID> (1,321)
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>  <CNC_ID> (1,321)
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>  <transfer_container_id> (1,321)
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>  <COMPOUND_NUMBER> (1,321)
WAY-601922

>  <LOCATION_CODE> (1,321)
PTNCS

>  <AMOUNT_CURRENT> (1,321)
32.5

$$$$
WAY-602591
csChFnd80/10101909502D

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>  <Formula> (1,322)
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>  <MolWeight> (1,322)
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>  <PCAT_CMPD_ID> (1,322)
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>  <CNC_ID> (1,322)
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>  <transfer_container_id> (1,322)
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>  <COMPOUND_NUMBER> (1,322)
WAY-602591

>  <LOCATION_CODE> (1,322)
PTNCS

>  <AMOUNT_CURRENT> (1,322)
32.4

$$$$
WAY-602341
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,323)
1323

>  <Formula> (1,323)
C18H17ClNO3P

>  <MolWeight> (1,323)
361.759241

>  <PCAT_CMPD_ID> (1,323)
WAY-602341

>  <CNC_ID> (1,323)
359388289

>  <transfer_container_id> (1,323)
PTN000000071

>  <COMPOUND_NUMBER> (1,323)
WAY-602341

>  <LOCATION_CODE> (1,323)
PTNCS

>  <AMOUNT_CURRENT> (1,323)
32.2

$$$$
WAY-603014
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,324)
1324

>  <Formula> (1,324)
C6H10N8

>  <MolWeight> (1,324)
194.1972

>  <PCAT_CMPD_ID> (1,324)
WAY-603014

>  <CNC_ID> (1,324)
359388962

>  <transfer_container_id> (1,324)
PTN000000071

>  <COMPOUND_NUMBER> (1,324)
WAY-603014

>  <LOCATION_CODE> (1,324)
PTNCS

>  <AMOUNT_CURRENT> (1,324)
32.8

$$$$
WAY-635770
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,325)
1325

>  <Formula> (1,325)
C15H12N2O3

>  <MolWeight> (1,325)
268.26738

>  <PCAT_CMPD_ID> (1,325)
WAY-635770

>  <CNC_ID> (1,325)
359390870

>  <transfer_container_id> (1,325)
PTN000000071

>  <COMPOUND_NUMBER> (1,325)
WAY-635770

>  <LOCATION_CODE> (1,325)
PTNCS

>  <AMOUNT_CURRENT> (1,325)
32.9

$$$$
WAY-636040
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,326)
1326

>  <Formula> (1,326)
C16H15NO6S

>  <MolWeight> (1,326)
349.3584

>  <PCAT_CMPD_ID> (1,326)
WAY-636040

>  <CNC_ID> (1,326)
359391140

>  <transfer_container_id> (1,326)
PTN000000071

>  <COMPOUND_NUMBER> (1,326)
WAY-636040

>  <LOCATION_CODE> (1,326)
PTNCS

>  <AMOUNT_CURRENT> (1,326)
32.3

$$$$
WAY-636303
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,327)
1327

>  <Formula> (1,327)
C16H15F3N2O3

>  <MolWeight> (1,327)
340.2971096

>  <PCAT_CMPD_ID> (1,327)
WAY-636303

>  <CNC_ID> (1,327)
359391403

>  <transfer_container_id> (1,327)
PTN000000071

>  <COMPOUND_NUMBER> (1,327)
WAY-636303

>  <LOCATION_CODE> (1,327)
PTNCS

>  <AMOUNT_CURRENT> (1,327)
32.3

$$$$
WAY-655367
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,328)
1328

>  <Formula> (1,328)
C18H12N2OS2

>  <MolWeight> (1,328)
336.43068

>  <PCAT_CMPD_ID> (1,328)
WAY-655367

>  <CNC_ID> (1,328)
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>  <transfer_container_id> (1,328)
PTN000000071

>  <COMPOUND_NUMBER> (1,328)
WAY-655367

>  <LOCATION_CODE> (1,328)
PTNCS

>  <AMOUNT_CURRENT> (1,328)
32.5

$$$$
WAY-655435
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,329)
1329

>  <Formula> (1,329)
C9H10N2O3S

>  <MolWeight> (1,329)
226.2523

>  <PCAT_CMPD_ID> (1,329)
WAY-655435

>  <CNC_ID> (1,329)
359393675

>  <transfer_container_id> (1,329)
PTN000000071

>  <COMPOUND_NUMBER> (1,329)
WAY-655435

>  <LOCATION_CODE> (1,329)
PTNCS

>  <AMOUNT_CURRENT> (1,329)
32.4

$$$$
WAY-604264-A
csChFnd80/10101909502D

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>  <Mol_ID> (1,330)
1330

>  <Formula> (1,330)
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>  <MolWeight> (1,330)
453.53558

>  <PCAT_CMPD_ID> (1,330)
WAY-604264-A

>  <CNC_ID> (1,330)
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>  <transfer_container_id> (1,330)
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>  <COMPOUND_NUMBER> (1,330)
WAY-604264-A

>  <LOCATION_CODE> (1,330)
PTNCS

>  <AMOUNT_CURRENT> (1,330)
33

$$$$
WAY-604053
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,331)
1331

>  <Formula> (1,331)
C13H13BrN2

>  <MolWeight> (1,331)
277.15972

>  <PCAT_CMPD_ID> (1,331)
WAY-604053

>  <CNC_ID> (1,331)
359401888

>  <transfer_container_id> (1,331)
PTN000000072

>  <COMPOUND_NUMBER> (1,331)
WAY-604053

>  <LOCATION_CODE> (1,331)
PTNCS

>  <AMOUNT_CURRENT> (1,331)
32.6

$$$$
WAY-604589
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,332)
1332

>  <Formula> (1,332)
C18H13NO3S

>  <MolWeight> (1,332)
323.36572

>  <PCAT_CMPD_ID> (1,332)
WAY-604589

>  <CNC_ID> (1,332)
359402424

>  <transfer_container_id> (1,332)
PTN000000072

>  <COMPOUND_NUMBER> (1,332)
WAY-604589

>  <LOCATION_CODE> (1,332)
PTNCS

>  <AMOUNT_CURRENT> (1,332)
32.2

$$$$
WAY-604650
csChFnd80/10101909502D

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>  <Mol_ID> (1,333)
1333

>  <Formula> (1,333)
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>  <MolWeight> (1,333)
351.20722

>  <PCAT_CMPD_ID> (1,333)
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>  <CNC_ID> (1,333)
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>  <COMPOUND_NUMBER> (1,333)
WAY-604650

>  <LOCATION_CODE> (1,333)
PTNCS

>  <AMOUNT_CURRENT> (1,333)
32.3

$$$$
WAY-605004
csChFnd80/10101909502D

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>  <Mol_ID> (1,334)
1334

>  <Formula> (1,334)
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>  <MolWeight> (1,334)
436.93558

>  <PCAT_CMPD_ID> (1,334)
WAY-605004

>  <CNC_ID> (1,334)
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>  <transfer_container_id> (1,334)
PTN000000072

>  <COMPOUND_NUMBER> (1,334)
WAY-605004

>  <LOCATION_CODE> (1,334)
PTNCS

>  <AMOUNT_CURRENT> (1,334)
32.1

$$$$
WAY-637420
csChFnd80/10101909502D

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>  <Mol_ID> (1,335)
1335

>  <Formula> (1,335)
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>  <MolWeight> (1,335)
260.3315

>  <PCAT_CMPD_ID> (1,335)
WAY-637420

>  <CNC_ID> (1,335)
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>  <transfer_container_id> (1,335)
PTN000000072

>  <COMPOUND_NUMBER> (1,335)
WAY-637420

>  <LOCATION_CODE> (1,335)
PTNCS

>  <AMOUNT_CURRENT> (1,335)
32.4

$$$$
WAY-638493
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,336)
1336

>  <Formula> (1,336)
C20H13NO2

>  <MolWeight> (1,336)
299.32272

>  <PCAT_CMPD_ID> (1,336)
WAY-638493

>  <CNC_ID> (1,336)
359405471

>  <transfer_container_id> (1,336)
PTN000000072

>  <COMPOUND_NUMBER> (1,336)
WAY-638493

>  <LOCATION_CODE> (1,336)
PTNCS

>  <AMOUNT_CURRENT> (1,336)
33

$$$$
WAY-656892
csChFnd80/10101909502D

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1337

>  <Formula> (1,337)
C25H17ClN2O4

>  <MolWeight> (1,337)
444.86648

>  <PCAT_CMPD_ID> (1,337)
WAY-656892

>  <CNC_ID> (1,337)
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>  <transfer_container_id> (1,337)
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>  <COMPOUND_NUMBER> (1,337)
WAY-656892

>  <LOCATION_CODE> (1,337)
PTNCS

>  <AMOUNT_CURRENT> (1,337)
32.6

$$$$
WAY-607294
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,338)
1338

>  <Formula> (1,338)
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>  <MolWeight> (1,338)
326.43586

>  <PCAT_CMPD_ID> (1,338)
WAY-607294

>  <CNC_ID> (1,338)
359415715

>  <transfer_container_id> (1,338)
PTN000000073

>  <COMPOUND_NUMBER> (1,338)
WAY-607294

>  <LOCATION_CODE> (1,338)
PTNCS

>  <AMOUNT_CURRENT> (1,338)
32.1

$$$$
WAY-607737
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,339)
1339

>  <Formula> (1,339)
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>  <MolWeight> (1,339)
217.22724

>  <PCAT_CMPD_ID> (1,339)
WAY-607737

>  <CNC_ID> (1,339)
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>  <transfer_container_id> (1,339)
PTN000000073

>  <COMPOUND_NUMBER> (1,339)
WAY-607737

>  <LOCATION_CODE> (1,339)
PTNCS

>  <AMOUNT_CURRENT> (1,339)
33

$$$$
WAY-638945
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,340)
1340

>  <Formula> (1,340)
C17H15Cl2N3O

>  <MolWeight> (1,340)
348.2265

>  <PCAT_CMPD_ID> (1,340)
WAY-638945

>  <CNC_ID> (1,340)
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>  <transfer_container_id> (1,340)
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>  <COMPOUND_NUMBER> (1,340)
WAY-638945

>  <LOCATION_CODE> (1,340)
PTNCS

>  <AMOUNT_CURRENT> (1,340)
32.9

$$$$
WAY-638969
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,341)
1341

>  <Formula> (1,341)
C18H20N2O2

>  <MolWeight> (1,341)
296.3636

>  <PCAT_CMPD_ID> (1,341)
WAY-638969

>  <CNC_ID> (1,341)
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>  <transfer_container_id> (1,341)
PTN000000073

>  <COMPOUND_NUMBER> (1,341)
WAY-638969

>  <LOCATION_CODE> (1,341)
PTNCS

>  <AMOUNT_CURRENT> (1,341)
32.7

$$$$
WAY-658460
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,342)
1342

>  <Formula> (1,342)
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>  <MolWeight> (1,342)
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>  <PCAT_CMPD_ID> (1,342)
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>  <CNC_ID> (1,342)
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>  <transfer_container_id> (1,342)
PTN000000073

>  <COMPOUND_NUMBER> (1,342)
WAY-658460

>  <LOCATION_CODE> (1,342)
PTNCS

>  <AMOUNT_CURRENT> (1,342)
32.7

$$$$
WAY-660842
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,343)
1343

>  <Formula> (1,343)
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>  <MolWeight> (1,343)
440.53682

>  <PCAT_CMPD_ID> (1,343)
WAY-660842

>  <CNC_ID> (1,343)
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>  <transfer_container_id> (1,343)
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>  <COMPOUND_NUMBER> (1,343)
WAY-660842

>  <LOCATION_CODE> (1,343)
PTNCS

>  <AMOUNT_CURRENT> (1,343)
32.7

$$$$
WAY-660900
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,344)
1344

>  <Formula> (1,344)
C18H13NO4

>  <MolWeight> (1,344)
307.30012

>  <PCAT_CMPD_ID> (1,344)
WAY-660900

>  <CNC_ID> (1,344)
359432139

>  <transfer_container_id> (1,344)
PTN000000074

>  <COMPOUND_NUMBER> (1,344)
WAY-660900

>  <LOCATION_CODE> (1,344)
PTNCS

>  <AMOUNT_CURRENT> (1,344)
32.5

$$$$
WYE-179378
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,345)
1345

>  <Formula> (1,345)
C20H23ClN2O3

>  <MolWeight> (1,345)
374.86122

>  <PCAT_CMPD_ID> (1,345)
WYE-179378

>  <CNC_ID> (1,345)
359450452

>  <transfer_container_id> (1,345)
PTN000000076

>  <COMPOUND_NUMBER> (1,345)
WYE-179378

>  <LOCATION_CODE> (1,345)
PTNCS

>  <AMOUNT_CURRENT> (1,345)
32.9

$$$$
WAY-312914
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,346)
1346

>  <Formula> (1,346)
C16H15N3O2S

>  <MolWeight> (1,346)
313.3742

>  <PCAT_CMPD_ID> (1,346)
WAY-312914

>  <CNC_ID> (1,346)
359327951

>  <transfer_container_id> (1,346)
PTN000000067

>  <COMPOUND_NUMBER> (1,346)
WAY-312914

>  <LOCATION_CODE> (1,346)
PTNCS

>  <AMOUNT_CURRENT> (1,346)
33.6

$$$$
WAY-297565
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,347)
1347

>  <Formula> (1,347)
C15H11BrN4O

>  <MolWeight> (1,347)
343.17804

>  <PCAT_CMPD_ID> (1,347)
WAY-297565

>  <CNC_ID> (1,347)
359344009

>  <transfer_container_id> (1,347)
PTN000000068

>  <COMPOUND_NUMBER> (1,347)
WAY-297565

>  <LOCATION_CODE> (1,347)
PTNCS

>  <AMOUNT_CURRENT> (1,347)
33.5

$$$$
WAY-297953
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,348)
1348

>  <Formula> (1,348)
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>  <MolWeight> (1,348)
292.31368

>  <PCAT_CMPD_ID> (1,348)
WAY-297953

>  <CNC_ID> (1,348)
359344397

>  <transfer_container_id> (1,348)
PTN000000068

>  <COMPOUND_NUMBER> (1,348)
WAY-297953

>  <LOCATION_CODE> (1,348)
PTNCS

>  <AMOUNT_CURRENT> (1,348)
33.1

$$$$
WAY-297985
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,349)
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>  <MolWeight> (1,349)
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>  <CNC_ID> (1,349)
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>  <transfer_container_id> (1,349)
PTN000000068

>  <COMPOUND_NUMBER> (1,349)
WAY-297985

>  <LOCATION_CODE> (1,349)
PTNCS

>  <AMOUNT_CURRENT> (1,349)
33.2

$$$$
WAY-114855
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,350)
1350

>  <Formula> (1,350)
C12H13N3OS2

>  <MolWeight> (1,350)
279.38112

>  <PCAT_CMPD_ID> (1,350)
WAY-114855

>  <CNC_ID> (1,350)
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>  <transfer_container_id> (1,350)
PTN000000070

>  <COMPOUND_NUMBER> (1,350)
WAY-114855

>  <LOCATION_CODE> (1,350)
PTNCS

>  <AMOUNT_CURRENT> (1,350)
33.3

$$$$
WAY-299691
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,351)
1351

>  <Formula> (1,351)
C21H17N3O2

>  <MolWeight> (1,351)
343.37858

>  <PCAT_CMPD_ID> (1,351)
WAY-299691

>  <CNC_ID> (1,351)
359370368

>  <transfer_container_id> (1,351)
PTN000000070

>  <COMPOUND_NUMBER> (1,351)
WAY-299691

>  <LOCATION_CODE> (1,351)
PTNCS

>  <AMOUNT_CURRENT> (1,351)
33.3

$$$$
WAY-388441
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,352)
1352

>  <Formula> (1,352)
C14H14N4O5

>  <MolWeight> (1,352)
318.28476

>  <PCAT_CMPD_ID> (1,352)
WAY-388441

>  <CNC_ID> (1,352)
359372581

>  <transfer_container_id> (1,352)
PTN000000070

>  <COMPOUND_NUMBER> (1,352)
WAY-388441

>  <LOCATION_CODE> (1,352)
PTNCS

>  <AMOUNT_CURRENT> (1,352)
32.2

$$$$
WAY-388465
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,353)
1353

>  <Formula> (1,353)
C14H9FN2OS

>  <MolWeight> (1,353)
272.2974632

>  <PCAT_CMPD_ID> (1,353)
WAY-388465

>  <CNC_ID> (1,353)
359372603

>  <transfer_container_id> (1,353)
PTN000000070

>  <COMPOUND_NUMBER> (1,353)
WAY-388465

>  <LOCATION_CODE> (1,353)
PTNCS

>  <AMOUNT_CURRENT> (1,353)
32.3

$$$$
WAY-388505
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,354)
1354

>  <Formula> (1,354)
C19H15F2N3O3S

>  <MolWeight> (1,354)
403.4025064

>  <PCAT_CMPD_ID> (1,354)
WAY-388505

>  <CNC_ID> (1,354)
359372643

>  <transfer_container_id> (1,354)
PTN000000070

>  <COMPOUND_NUMBER> (1,354)
WAY-388505

>  <LOCATION_CODE> (1,354)
PTNCS

>  <AMOUNT_CURRENT> (1,354)
32.3

$$$$
WAY-388536
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,355)
1355

>  <Formula> (1,355)
C21H21FN2O2S

>  <MolWeight> (1,355)
384.4670432

>  <PCAT_CMPD_ID> (1,355)
WAY-388536

>  <CNC_ID> (1,355)
359372674

>  <transfer_container_id> (1,355)
PTN000000070

>  <COMPOUND_NUMBER> (1,355)
WAY-388536

>  <LOCATION_CODE> (1,355)
PTNCS

>  <AMOUNT_CURRENT> (1,355)
32.8

$$$$
WAY-388571
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,356)
1356

>  <Formula> (1,356)
C12H9NO2S

>  <MolWeight> (1,356)
231.27036

>  <PCAT_CMPD_ID> (1,356)
WAY-388571

>  <CNC_ID> (1,356)
359372709

>  <transfer_container_id> (1,356)
PTN000000070

>  <COMPOUND_NUMBER> (1,356)
WAY-388571

>  <LOCATION_CODE> (1,356)
PTNCS

>  <AMOUNT_CURRENT> (1,356)
32.3

$$$$
CL-403527
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,357)
1357

>  <Formula> (1,357)
C18H22ClF3N2O3S

>  <MolWeight> (1,357)
438.8920896

>  <PCAT_CMPD_ID> (1,357)
CL-403527

>  <CNC_ID> (1,357)
359407691

>  <transfer_container_id> (1,357)
PTN000000073

>  <COMPOUND_NUMBER> (1,357)
CL-403527

>  <LOCATION_CODE> (1,357)
PTNCS

>  <AMOUNT_CURRENT> (1,357)
33.3

$$$$
WAY-222382-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,358)
1358

>  <Formula> (1,358)
C20H23N3O

>  <MolWeight> (1,358)
321.41612

>  <PCAT_CMPD_ID> (1,358)
WAY-222382-A

>  <CNC_ID> (1,358)
359407951

>  <transfer_container_id> (1,358)
PTN000000073

>  <COMPOUND_NUMBER> (1,358)
WAY-222382-A

>  <LOCATION_CODE> (1,358)
PTNCS

>  <AMOUNT_CURRENT> (1,358)
33.3

$$$$
WAY-306114-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,359)
1359

>  <Formula> (1,359)
C20H22N2O3

>  <MolWeight> (1,359)
338.40028

>  <PCAT_CMPD_ID> (1,359)
WAY-306114-A

>  <CNC_ID> (1,359)
359408615

>  <transfer_container_id> (1,359)
PTN000000073

>  <COMPOUND_NUMBER> (1,359)
WAY-306114-A

>  <LOCATION_CODE> (1,359)
PTNCS

>  <AMOUNT_CURRENT> (1,359)
33.4

$$$$
CL-292724
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,360)
1360

>  <Formula> (1,360)
C11H9BrN2S

>  <MolWeight> (1,360)
281.17156

>  <PCAT_CMPD_ID> (1,360)
CL-292724

>  <CNC_ID> (1,360)
359419966

>  <transfer_container_id> (1,360)
PTN000000074

>  <COMPOUND_NUMBER> (1,360)
CL-292724

>  <LOCATION_CODE> (1,360)
PTNCS

>  <AMOUNT_CURRENT> (1,360)
33.4

$$$$
CL-58998
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,361)
1361

>  <Formula> (1,361)
C18H12N4

>  <MolWeight> (1,361)
284.31468

>  <PCAT_CMPD_ID> (1,361)
CL-58998

>  <CNC_ID> (1,361)
359420034

>  <transfer_container_id> (1,361)
PTN000000074

>  <COMPOUND_NUMBER> (1,361)
CL-58998

>  <LOCATION_CODE> (1,361)
PTNCS

>  <AMOUNT_CURRENT> (1,361)
33.2

$$$$
WAY-307665
csChFnd80/10101909502D

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 10  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,362)
1362

>  <Formula> (1,362)
C16H16N4O3S

>  <MolWeight> (1,362)
344.38824

>  <PCAT_CMPD_ID> (1,362)
WAY-307665

>  <CNC_ID> (1,362)
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>  <transfer_container_id> (1,362)
PTN000000074

>  <COMPOUND_NUMBER> (1,362)
WAY-307665

>  <LOCATION_CODE> (1,362)
PTNCS

>  <AMOUNT_CURRENT> (1,362)
33.6

$$$$
WAY-308051
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,363)
1363

>  <Formula> (1,363)
C12H9F3N6

>  <MolWeight> (1,363)
294.2352696

>  <PCAT_CMPD_ID> (1,363)
WAY-308051

>  <CNC_ID> (1,363)
359420905

>  <transfer_container_id> (1,363)
PTN000000074

>  <COMPOUND_NUMBER> (1,363)
WAY-308051

>  <LOCATION_CODE> (1,363)
PTNCS

>  <AMOUNT_CURRENT> (1,363)
33.4

$$$$
WAY-309047
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,364)
1364

>  <Formula> (1,364)
C20H16N4O4S

>  <MolWeight> (1,364)
408.43044

>  <PCAT_CMPD_ID> (1,364)
WAY-309047

>  <CNC_ID> (1,364)
359421900

>  <transfer_container_id> (1,364)
PTN000000074

>  <COMPOUND_NUMBER> (1,364)
WAY-309047

>  <LOCATION_CODE> (1,364)
PTNCS

>  <AMOUNT_CURRENT> (1,364)
33.7

$$$$
WAY-312669
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,365)
1365

>  <Formula> (1,365)
C13H7F3N4O3S

>  <MolWeight> (1,365)
356.2798896

>  <PCAT_CMPD_ID> (1,365)
WAY-312669

>  <CNC_ID> (1,365)
359327706

>  <transfer_container_id> (1,365)
PTN000000067

>  <COMPOUND_NUMBER> (1,365)
WAY-312669

>  <LOCATION_CODE> (1,365)
PTNCS

>  <AMOUNT_CURRENT> (1,365)
33.6

$$$$
WAY-312885
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,366)
1366

>  <Formula> (1,366)
C17H14N2O3

>  <MolWeight> (1,366)
294.30466

>  <PCAT_CMPD_ID> (1,366)
WAY-312885

>  <CNC_ID> (1,366)
359327922

>  <transfer_container_id> (1,366)
PTN000000067

>  <COMPOUND_NUMBER> (1,366)
WAY-312885

>  <LOCATION_CODE> (1,366)
PTNCS

>  <AMOUNT_CURRENT> (1,366)
33.1

$$$$
WAY-119563
csChFnd80/10101909502D

 15 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,367)
1367

>  <Formula> (1,367)
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>  <MolWeight> (1,367)
211.25758

>  <PCAT_CMPD_ID> (1,367)
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>  <CNC_ID> (1,367)
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>  <transfer_container_id> (1,367)
PTN000000067

>  <COMPOUND_NUMBER> (1,367)
WAY-119563

>  <LOCATION_CODE> (1,367)
PTNCS

>  <AMOUNT_CURRENT> (1,367)
33.8

$$$$
CL-183319
csChFnd80/10101909502D

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>  <Mol_ID> (1,368)
1368

>  <Formula> (1,368)
C11H8N2O

>  <MolWeight> (1,368)
184.19402

>  <PCAT_CMPD_ID> (1,368)
CL-183319

>  <CNC_ID> (1,368)
359326694

>  <transfer_container_id> (1,368)
PTN000000067

>  <COMPOUND_NUMBER> (1,368)
CL-183319

>  <LOCATION_CODE> (1,368)
PTNCS

>  <AMOUNT_CURRENT> (1,368)
33.6

$$$$
WAY-312668
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,369)
1369

>  <Formula> (1,369)
C14H10N4OS

>  <MolWeight> (1,369)
282.3204

>  <PCAT_CMPD_ID> (1,369)
WAY-312668

>  <CNC_ID> (1,369)
359327705

>  <transfer_container_id> (1,369)
PTN000000067

>  <COMPOUND_NUMBER> (1,369)
WAY-312668

>  <LOCATION_CODE> (1,369)
PTNCS

>  <AMOUNT_CURRENT> (1,369)
33

$$$$
CL-271214
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,370)
1370

>  <Formula> (1,370)
C14H18N2O

>  <MolWeight> (1,370)
230.30552

>  <PCAT_CMPD_ID> (1,370)
CL-271214

>  <CNC_ID> (1,370)
359339850

>  <transfer_container_id> (1,370)
PTN000000068

>  <COMPOUND_NUMBER> (1,370)
CL-271214

>  <LOCATION_CODE> (1,370)
PTNCS

>  <AMOUNT_CURRENT> (1,370)
33.2

$$$$
CL-402701
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
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  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 16 20  2  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,371)
1371

>  <Formula> (1,371)
C16H10N2O2

>  <MolWeight> (1,371)
262.2628

>  <PCAT_CMPD_ID> (1,371)
CL-402701

>  <CNC_ID> (1,371)
359339881

>  <transfer_container_id> (1,371)
PTN000000068

>  <COMPOUND_NUMBER> (1,371)
CL-402701

>  <LOCATION_CODE> (1,371)
PTNCS

>  <AMOUNT_CURRENT> (1,371)
33.2

$$$$
WAY-222010
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11  7  2  0  0  0  0
 12 10  2  0  0  0  0
 13  3  1  0  0  0  0
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 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
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  4  6  1  0  0  0  0
 16 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,372)
1372

>  <Formula> (1,372)
C18H21N3O3

>  <MolWeight> (1,372)
327.37764

>  <PCAT_CMPD_ID> (1,372)
WAY-222010

>  <CNC_ID> (1,372)
359340154

>  <transfer_container_id> (1,372)
PTN000000068

>  <COMPOUND_NUMBER> (1,372)
WAY-222010

>  <LOCATION_CODE> (1,372)
PTNCS

>  <AMOUNT_CURRENT> (1,372)
33.1

$$$$
WAY-232873
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,373)
1373

>  <Formula> (1,373)
C11H10N6OS

>  <MolWeight> (1,373)
274.3017

>  <PCAT_CMPD_ID> (1,373)
WAY-232873

>  <CNC_ID> (1,373)
359340247

>  <transfer_container_id> (1,373)
PTN000000068

>  <COMPOUND_NUMBER> (1,373)
WAY-232873

>  <LOCATION_CODE> (1,373)
PTNCS

>  <AMOUNT_CURRENT> (1,373)
33

$$$$
WAY-239643
csChFnd80/10101909502D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,374)
1374

>  <Formula> (1,374)
C21H22N2O3S

>  <MolWeight> (1,374)
382.47598

>  <PCAT_CMPD_ID> (1,374)
WAY-239643

>  <CNC_ID> (1,374)
359340344

>  <transfer_container_id> (1,374)
PTN000000068

>  <COMPOUND_NUMBER> (1,374)
WAY-239643

>  <LOCATION_CODE> (1,374)
PTNCS

>  <AMOUNT_CURRENT> (1,374)
33.1

$$$$
WAY-296500
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,375)
1375

>  <Formula> (1,375)
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>  <MolWeight> (1,375)
388.82482

>  <PCAT_CMPD_ID> (1,375)
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>  <CNC_ID> (1,375)
359342944

>  <transfer_container_id> (1,375)
PTN000000068

>  <COMPOUND_NUMBER> (1,375)
WAY-296500

>  <LOCATION_CODE> (1,375)
PTNCS

>  <AMOUNT_CURRENT> (1,375)
33.4

$$$$
WAY-296572
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,376)
1376

>  <Formula> (1,376)
C17H13NO4S

>  <MolWeight> (1,376)
327.35442

>  <PCAT_CMPD_ID> (1,376)
WAY-296572

>  <CNC_ID> (1,376)
359343016

>  <transfer_container_id> (1,376)
PTN000000068

>  <COMPOUND_NUMBER> (1,376)
WAY-296572

>  <LOCATION_CODE> (1,376)
PTNCS

>  <AMOUNT_CURRENT> (1,376)
33.3

$$$$
WAY-296602
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,377)
1377

>  <Formula> (1,377)
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>  <MolWeight> (1,377)
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>  <PCAT_CMPD_ID> (1,377)
WAY-296602

>  <CNC_ID> (1,377)
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>  <transfer_container_id> (1,377)
PTN000000068

>  <COMPOUND_NUMBER> (1,377)
WAY-296602

>  <LOCATION_CODE> (1,377)
PTNCS

>  <AMOUNT_CURRENT> (1,377)
33.1

$$$$
WAY-296743
csChFnd80/10101909502D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,378)
1378

>  <Formula> (1,378)
C25H22N4O4S

>  <MolWeight> (1,378)
474.53158

>  <PCAT_CMPD_ID> (1,378)
WAY-296743

>  <CNC_ID> (1,378)
359343187

>  <transfer_container_id> (1,378)
PTN000000068

>  <COMPOUND_NUMBER> (1,378)
WAY-296743

>  <LOCATION_CODE> (1,378)
PTNCS

>  <AMOUNT_CURRENT> (1,378)
33.3

$$$$
WAY-296745
csChFnd80/10101909502D

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>  <Mol_ID> (1,379)
1379

>  <Formula> (1,379)
C14H9BrN2O2S

>  <MolWeight> (1,379)
349.20246

>  <PCAT_CMPD_ID> (1,379)
WAY-296745

>  <CNC_ID> (1,379)
359343189

>  <transfer_container_id> (1,379)
PTN000000068

>  <COMPOUND_NUMBER> (1,379)
WAY-296745

>  <LOCATION_CODE> (1,379)
PTNCS

>  <AMOUNT_CURRENT> (1,379)
33

$$$$
WAY-297078
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,380)
1380

>  <Formula> (1,380)
C15H16N4O

>  <MolWeight> (1,380)
268.31374

>  <PCAT_CMPD_ID> (1,380)
WAY-297078

>  <CNC_ID> (1,380)
359343522

>  <transfer_container_id> (1,380)
PTN000000068

>  <COMPOUND_NUMBER> (1,380)
WAY-297078

>  <LOCATION_CODE> (1,380)
PTNCS

>  <AMOUNT_CURRENT> (1,380)
33.4

$$$$
WAY-297106
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,381)
1381

>  <Formula> (1,381)
C17H16N2O

>  <MolWeight> (1,381)
264.32174

>  <PCAT_CMPD_ID> (1,381)
WAY-297106

>  <CNC_ID> (1,381)
359343550

>  <transfer_container_id> (1,381)
PTN000000068

>  <COMPOUND_NUMBER> (1,381)
WAY-297106

>  <LOCATION_CODE> (1,381)
PTNCS

>  <AMOUNT_CURRENT> (1,381)
33.4

$$$$
WAY-297237
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,382)
1382

>  <Formula> (1,382)
C16H18ClF3N4O2

>  <MolWeight> (1,382)
390.7879296

>  <PCAT_CMPD_ID> (1,382)
WAY-297237

>  <CNC_ID> (1,382)
359343681

>  <transfer_container_id> (1,382)
PTN000000068

>  <COMPOUND_NUMBER> (1,382)
WAY-297237

>  <LOCATION_CODE> (1,382)
PTNCS

>  <AMOUNT_CURRENT> (1,382)
33

$$$$
WAY-297421
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,383)
1383

>  <Formula> (1,383)
C20H16N2O

>  <MolWeight> (1,383)
300.35384

>  <PCAT_CMPD_ID> (1,383)
WAY-297421

>  <CNC_ID> (1,383)
359343865

>  <transfer_container_id> (1,383)
PTN000000068

>  <COMPOUND_NUMBER> (1,383)
WAY-297421

>  <LOCATION_CODE> (1,383)
PTNCS

>  <AMOUNT_CURRENT> (1,383)
33.2

$$$$
WL-44908
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,384)
1384

>  <Formula> (1,384)
C16H16N2O4

>  <MolWeight> (1,384)
300.30924

>  <PCAT_CMPD_ID> (1,384)
WL-44908

>  <CNC_ID> (1,384)
359433510

>  <transfer_container_id> (1,384)
PTN000000074

>  <COMPOUND_NUMBER> (1,384)
WL-44908

>  <LOCATION_CODE> (1,384)
PTNCS

>  <AMOUNT_CURRENT> (1,384)
33.4

$$$$
WAY-346517
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 24  3  1  0  0  0  0
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 13 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,385)
1385

>  <Formula> (1,385)
C19H22FN3O

>  <MolWeight> (1,385)
327.3958832

>  <PCAT_CMPD_ID> (1,385)
WAY-346517

>  <CNC_ID> (1,385)
359434402

>  <transfer_container_id> (1,385)
PTN000000075

>  <COMPOUND_NUMBER> (1,385)
WAY-346517

>  <LOCATION_CODE> (1,385)
PTNCS

>  <AMOUNT_CURRENT> (1,385)
32.8

$$$$
WAY-347253
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,386)
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>  <Formula> (1,386)
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>  <MolWeight> (1,386)
282.76586

>  <PCAT_CMPD_ID> (1,386)
WAY-347253

>  <CNC_ID> (1,386)
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>  <transfer_container_id> (1,386)
PTN000000075

>  <COMPOUND_NUMBER> (1,386)
WAY-347253

>  <LOCATION_CODE> (1,386)
PTNCS

>  <AMOUNT_CURRENT> (1,386)
32.6

$$$$
WAY-354111
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,387)
1387

>  <Formula> (1,387)
C19H24N2O2S2

>  <MolWeight> (1,387)
376.53606

>  <PCAT_CMPD_ID> (1,387)
WAY-354111

>  <CNC_ID> (1,387)
359441738

>  <transfer_container_id> (1,387)
PTN000000075

>  <COMPOUND_NUMBER> (1,387)
WAY-354111

>  <LOCATION_CODE> (1,387)
PTNCS

>  <AMOUNT_CURRENT> (1,387)
32.4

$$$$
WAY-357920
csChFnd80/10101909502D

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>  <Mol_ID> (1,388)
1388

>  <Formula> (1,388)
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>  <MolWeight> (1,388)
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>  <PCAT_CMPD_ID> (1,388)
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>  <CNC_ID> (1,388)
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>  <transfer_container_id> (1,388)
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>  <COMPOUND_NUMBER> (1,388)
WAY-357920

>  <LOCATION_CODE> (1,388)
PTNCS

>  <AMOUNT_CURRENT> (1,388)
32.5

$$$$
WAY-627429
csChFnd80/10101909502D

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>  <Mol_ID> (1,389)
1389

>  <Formula> (1,389)
C15H13N3O2

>  <MolWeight> (1,389)
267.28262

>  <PCAT_CMPD_ID> (1,389)
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>  <CNC_ID> (1,389)
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>  <transfer_container_id> (1,389)
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>  <COMPOUND_NUMBER> (1,389)
WAY-627429

>  <LOCATION_CODE> (1,389)
PTNCS

>  <AMOUNT_CURRENT> (1,389)
32.6

$$$$
WAY-627435
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,390)
1390

>  <Formula> (1,390)
C15H11Cl2NO3

>  <MolWeight> (1,390)
324.15874

>  <PCAT_CMPD_ID> (1,390)
WAY-627435

>  <CNC_ID> (1,390)
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>  <transfer_container_id> (1,390)
PTN000000067

>  <COMPOUND_NUMBER> (1,390)
WAY-627435

>  <LOCATION_CODE> (1,390)
PTNCS

>  <AMOUNT_CURRENT> (1,390)
32.8

$$$$
WAY-627495
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,391)
1391

>  <Formula> (1,391)
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>  <MolWeight> (1,391)
398.3993896

>  <PCAT_CMPD_ID> (1,391)
WAY-627495

>  <CNC_ID> (1,391)
359336299

>  <transfer_container_id> (1,391)
PTN000000067

>  <COMPOUND_NUMBER> (1,391)
WAY-627495

>  <LOCATION_CODE> (1,391)
PTNCS

>  <AMOUNT_CURRENT> (1,391)
32.4

$$$$
WAY-627496
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,392)
1392

>  <Formula> (1,392)
C16H18N2O3

>  <MolWeight> (1,392)
286.32572

>  <PCAT_CMPD_ID> (1,392)
WAY-627496

>  <CNC_ID> (1,392)
359336300

>  <transfer_container_id> (1,392)
PTN000000067

>  <COMPOUND_NUMBER> (1,392)
WAY-627496

>  <LOCATION_CODE> (1,392)
PTNCS

>  <AMOUNT_CURRENT> (1,392)
32.6

$$$$
WAY-644218
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,393)
1393

>  <Formula> (1,393)
C16H15Cl2NO2S

>  <MolWeight> (1,393)
356.2668

>  <PCAT_CMPD_ID> (1,393)
WAY-644218

>  <CNC_ID> (1,393)
359336890

>  <transfer_container_id> (1,393)
PTN000000067

>  <COMPOUND_NUMBER> (1,393)
WAY-644218

>  <LOCATION_CODE> (1,393)
PTNCS

>  <AMOUNT_CURRENT> (1,393)
32.8

$$$$
WAY-273446
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,394)
1394

>  <Formula> (1,394)
C21H25N3O2S2

>  <MolWeight> (1,394)
415.5721

>  <PCAT_CMPD_ID> (1,394)
WAY-273446

>  <CNC_ID> (1,394)
359340715

>  <transfer_container_id> (1,394)
PTN000000068

>  <COMPOUND_NUMBER> (1,394)
WAY-273446

>  <LOCATION_CODE> (1,394)
PTNCS

>  <AMOUNT_CURRENT> (1,394)
32.5

$$$$
WAY-613009
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,395)
1395

>  <Formula> (1,395)
C21H16N2O2

>  <MolWeight> (1,395)
328.36394

>  <PCAT_CMPD_ID> (1,395)
WAY-613009

>  <CNC_ID> (1,395)
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>  <transfer_container_id> (1,395)
PTN000000068

>  <COMPOUND_NUMBER> (1,395)
WAY-613009

>  <LOCATION_CODE> (1,395)
PTNCS

>  <AMOUNT_CURRENT> (1,395)
32.9

$$$$
WAY-628718
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,396)
1396

>  <Formula> (1,396)
C19H20N2O3S2

>  <MolWeight> (1,396)
388.5037

>  <PCAT_CMPD_ID> (1,396)
WAY-628718

>  <CNC_ID> (1,396)
359349869

>  <transfer_container_id> (1,396)
PTN000000068

>  <COMPOUND_NUMBER> (1,396)
WAY-628718

>  <LOCATION_CODE> (1,396)
PTNCS

>  <AMOUNT_CURRENT> (1,396)
32.1

$$$$
WAY-628863-A
csChFnd80/10101909502D

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 10  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,397)
1397

>  <Formula> (1,397)
C13H19BrNO2+

>  <MolWeight> (1,397)
301.19946

>  <PCAT_CMPD_ID> (1,397)
WAY-628863-A

>  <CNC_ID> (1,397)
359350014

>  <transfer_container_id> (1,397)
PTN000000068

>  <COMPOUND_NUMBER> (1,397)
WAY-628863-A

>  <LOCATION_CODE> (1,397)
PTNCS

>  <AMOUNT_CURRENT> (1,397)
32.4

$$$$
WAY-629030
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,398)
1398

>  <Formula> (1,398)
C14H15NO2

>  <MolWeight> (1,398)
229.2744

>  <PCAT_CMPD_ID> (1,398)
WAY-629030

>  <CNC_ID> (1,398)
359350181

>  <transfer_container_id> (1,398)
PTN000000068

>  <COMPOUND_NUMBER> (1,398)
WAY-629030

>  <LOCATION_CODE> (1,398)
PTNCS

>  <AMOUNT_CURRENT> (1,398)
32.5

$$$$
WAY-630072
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,399)
1399

>  <Formula> (1,399)
C13H12N2O3

>  <MolWeight> (1,399)
244.24598

>  <PCAT_CMPD_ID> (1,399)
WAY-630072

>  <CNC_ID> (1,399)
359351222

>  <transfer_container_id> (1,399)
PTN000000068

>  <COMPOUND_NUMBER> (1,399)
WAY-630072

>  <LOCATION_CODE> (1,399)
PTNCS

>  <AMOUNT_CURRENT> (1,399)
32.6

$$$$
WAY-630108
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,400)
1400

>  <Formula> (1,400)
C19H20N2O

>  <MolWeight> (1,400)
292.3749

>  <PCAT_CMPD_ID> (1,400)
WAY-630108

>  <CNC_ID> (1,400)
359351258

>  <transfer_container_id> (1,400)
PTN000000068

>  <COMPOUND_NUMBER> (1,400)
WAY-630108

>  <LOCATION_CODE> (1,400)
PTNCS

>  <AMOUNT_CURRENT> (1,400)
32.9

$$$$
WAY-630152
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,401)
1401

>  <Formula> (1,401)
C17H14N2

>  <MolWeight> (1,401)
246.30646

>  <PCAT_CMPD_ID> (1,401)
WAY-630152

>  <CNC_ID> (1,401)
359351301

>  <transfer_container_id> (1,401)
PTN000000068

>  <COMPOUND_NUMBER> (1,401)
WAY-630152

>  <LOCATION_CODE> (1,401)
PTNCS

>  <AMOUNT_CURRENT> (1,401)
32.5

$$$$
WAY-647165
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,402)
1402

>  <Formula> (1,402)
C20H16ClNO4S2

>  <MolWeight> (1,402)
433.92834

>  <PCAT_CMPD_ID> (1,402)
WAY-647165

>  <CNC_ID> (1,402)
359351544

>  <transfer_container_id> (1,402)
PTN000000068

>  <COMPOUND_NUMBER> (1,402)
WAY-647165

>  <LOCATION_CODE> (1,402)
PTNCS

>  <AMOUNT_CURRENT> (1,402)
32.3

$$$$
WAY-647255-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,403)
1403

>  <Formula> (1,403)
C20H16ClNO3

>  <MolWeight> (1,403)
353.79894

>  <PCAT_CMPD_ID> (1,403)
WAY-647255-A

>  <CNC_ID> (1,403)
359351634

>  <transfer_container_id> (1,403)
PTN000000068

>  <COMPOUND_NUMBER> (1,403)
WAY-647255-A

>  <LOCATION_CODE> (1,403)
PTNCS

>  <AMOUNT_CURRENT> (1,403)
32.6

$$$$
WAY-647512
csChFnd80/10101909502D

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 15  5  2  0  0  0  0
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 20  3  2  0  0  0  0
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 14 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,404)
1404

>  <Formula> (1,404)
C19H20N2O2S

>  <MolWeight> (1,404)
340.4393

>  <PCAT_CMPD_ID> (1,404)
WAY-647512

>  <CNC_ID> (1,404)
359351890

>  <transfer_container_id> (1,404)
PTN000000068

>  <COMPOUND_NUMBER> (1,404)
WAY-647512

>  <LOCATION_CODE> (1,404)
PTNCS

>  <AMOUNT_CURRENT> (1,404)
32.2

$$$$
WAY-647806
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,405)
1405

>  <Formula> (1,405)
C18H11N3O3S

>  <MolWeight> (1,405)
349.36324

>  <PCAT_CMPD_ID> (1,405)
WAY-647806

>  <CNC_ID> (1,405)
359352184

>  <transfer_container_id> (1,405)
PTN000000068

>  <COMPOUND_NUMBER> (1,405)
WAY-647806

>  <LOCATION_CODE> (1,405)
PTNCS

>  <AMOUNT_CURRENT> (1,405)
32.8

$$$$
WAY-648566
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,406)
1406

>  <Formula> (1,406)
C22H18N4O2S2

>  <MolWeight> (1,406)
434.53392

>  <PCAT_CMPD_ID> (1,406)
WAY-648566

>  <CNC_ID> (1,406)
359352944

>  <transfer_container_id> (1,406)
PTN000000068

>  <COMPOUND_NUMBER> (1,406)
WAY-648566

>  <LOCATION_CODE> (1,406)
PTNCS

>  <AMOUNT_CURRENT> (1,406)
32.3

$$$$
WAY-649180
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,407)
1407

>  <Formula> (1,407)
C18H18N2O3S

>  <MolWeight> (1,407)
342.41212

>  <PCAT_CMPD_ID> (1,407)
WAY-649180

>  <CNC_ID> (1,407)
359353556

>  <transfer_container_id> (1,407)
PTN000000068

>  <COMPOUND_NUMBER> (1,407)
WAY-649180

>  <LOCATION_CODE> (1,407)
PTNCS

>  <AMOUNT_CURRENT> (1,407)
33

$$$$
WAY-601523
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 15  8  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,408)
1408

>  <Formula> (1,408)
C12H10N2O3

>  <MolWeight> (1,408)
230.2194

>  <PCAT_CMPD_ID> (1,408)
WAY-601523

>  <CNC_ID> (1,408)
359375251

>  <transfer_container_id> (1,408)
PTN000000070

>  <COMPOUND_NUMBER> (1,408)
WAY-601523

>  <LOCATION_CODE> (1,408)
PTNCS

>  <AMOUNT_CURRENT> (1,408)
32.7

$$$$
WAY-615766
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 17 19  2  0  0  0  0
 24 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,409)
1409

>  <Formula> (1,409)
C19H16ClN3O3S

>  <MolWeight> (1,409)
401.86664

>  <PCAT_CMPD_ID> (1,409)
WAY-615766

>  <CNC_ID> (1,409)
359376488

>  <transfer_container_id> (1,409)
PTN000000070

>  <COMPOUND_NUMBER> (1,409)
WAY-615766

>  <LOCATION_CODE> (1,409)
PTNCS

>  <AMOUNT_CURRENT> (1,409)
32.1

$$$$
WAY-615780
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,410)
1410

>  <Formula> (1,410)
C15H24N2O2

>  <MolWeight> (1,410)
264.36326

>  <PCAT_CMPD_ID> (1,410)
WAY-615780

>  <CNC_ID> (1,410)
359376502

>  <transfer_container_id> (1,410)
PTN000000070

>  <COMPOUND_NUMBER> (1,410)
WAY-615780

>  <LOCATION_CODE> (1,410)
PTNCS

>  <AMOUNT_CURRENT> (1,410)
32.4

$$$$
WAY-632954
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,411)
1411

>  <Formula> (1,411)
C15H14N4O

>  <MolWeight> (1,411)
266.29786

>  <PCAT_CMPD_ID> (1,411)
WAY-632954

>  <CNC_ID> (1,411)
359377070

>  <transfer_container_id> (1,411)
PTN000000070

>  <COMPOUND_NUMBER> (1,411)
WAY-632954

>  <LOCATION_CODE> (1,411)
PTNCS

>  <AMOUNT_CURRENT> (1,411)
32.2

$$$$
WAY-652647
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,412)
1412

>  <Formula> (1,412)
C12H12FNO3S

>  <MolWeight> (1,412)
269.2919832

>  <PCAT_CMPD_ID> (1,412)
WAY-652647

>  <CNC_ID> (1,412)
359379528

>  <transfer_container_id> (1,412)
PTN000000070

>  <COMPOUND_NUMBER> (1,412)
WAY-652647

>  <LOCATION_CODE> (1,412)
PTNCS

>  <AMOUNT_CURRENT> (1,412)
32.6

$$$$
WAY-652736
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,413)
1413

>  <Formula> (1,413)
C23H23NO2

>  <MolWeight> (1,413)
345.43422

>  <PCAT_CMPD_ID> (1,413)
WAY-652736

>  <CNC_ID> (1,413)
359379617

>  <transfer_container_id> (1,413)
PTN000000070

>  <COMPOUND_NUMBER> (1,413)
WAY-652736

>  <LOCATION_CODE> (1,413)
PTNCS

>  <AMOUNT_CURRENT> (1,413)
32.1

$$$$
WAY-641030
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,414)
1414

>  <Formula> (1,414)
C19H16N4O3

>  <MolWeight> (1,414)
348.35534

>  <PCAT_CMPD_ID> (1,414)
WAY-641030

>  <CNC_ID> (1,414)
359431081

>  <transfer_container_id> (1,414)
PTN000000074

>  <COMPOUND_NUMBER> (1,414)
WAY-641030

>  <LOCATION_CODE> (1,414)
PTNCS

>  <AMOUNT_CURRENT> (1,414)
32.7

$$$$
WAY-661934
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,415)
1415

>  <Formula> (1,415)
C23H19FN4O3S

>  <MolWeight> (1,415)
450.4853632

>  <PCAT_CMPD_ID> (1,415)
WAY-661934

>  <CNC_ID> (1,415)
359433171

>  <transfer_container_id> (1,415)
PTN000000074

>  <COMPOUND_NUMBER> (1,415)
WAY-661934

>  <LOCATION_CODE> (1,415)
PTNCS

>  <AMOUNT_CURRENT> (1,415)
32.5

$$$$
WAY-278670
csChFnd80/10101909502D

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>  <Mol_ID> (1,416)
1416

>  <Formula> (1,416)
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>  <MolWeight> (1,416)
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>  <PCAT_CMPD_ID> (1,416)
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>  <CNC_ID> (1,416)
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>  <transfer_container_id> (1,416)
PTN000000067

>  <COMPOUND_NUMBER> (1,416)
WAY-278670

>  <LOCATION_CODE> (1,416)
PTNCS

>  <AMOUNT_CURRENT> (1,416)
32.5

$$$$
WAY-217028
csChFnd80/10101909502D

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 10  8  1  0  0  0  0
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 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
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 16  6  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
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 29 28  1  0  0  0  0
  4  7  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,417)
1417

>  <Formula> (1,417)
C19H16ClF3N2O4

>  <MolWeight> (1,417)
428.7895496

>  <PCAT_CMPD_ID> (1,417)
WAY-217028

>  <CNC_ID> (1,417)
359313797

>  <transfer_container_id> (1,417)
PTN000000065

>  <COMPOUND_NUMBER> (1,417)
WAY-217028

>  <LOCATION_CODE> (1,417)
PTNCS

>  <AMOUNT_CURRENT> (1,417)
33.8

$$$$
WAY-239680
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 20 21  1  0  0  0  0
  6  8  1  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,418)
1418

>  <Formula> (1,418)
C17H25N3O

>  <MolWeight> (1,418)
287.3999

>  <PCAT_CMPD_ID> (1,418)
WAY-239680

>  <CNC_ID> (1,418)
359313970

>  <transfer_container_id> (1,418)
PTN000000065

>  <COMPOUND_NUMBER> (1,418)
WAY-239680

>  <LOCATION_CODE> (1,418)
PTNCS

>  <AMOUNT_CURRENT> (1,418)
33.5

$$$$
WAY-312156
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
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 17 20  1  0  0  0  0
 10 15  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,419)
1419

>  <Formula> (1,419)
C14H12FNO4

>  <MolWeight> (1,419)
277.2477832

>  <PCAT_CMPD_ID> (1,419)
WAY-312156

>  <CNC_ID> (1,419)
359315896

>  <transfer_container_id> (1,419)
PTN000000065

>  <COMPOUND_NUMBER> (1,419)
WAY-312156

>  <LOCATION_CODE> (1,419)
PTNCS

>  <AMOUNT_CURRENT> (1,419)
33.8

$$$$
WAY-310931
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 21 24  1  0  0  0  0
  7  8  2  0  0  0  0
 19 20  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,420)
1420

>  <Formula> (1,420)
C17H19F3N2O2

>  <MolWeight> (1,420)
340.3401696

>  <PCAT_CMPD_ID> (1,420)
WAY-310931

>  <CNC_ID> (1,420)
359314673

>  <transfer_container_id> (1,420)
PTN000000065

>  <COMPOUND_NUMBER> (1,420)
WAY-310931

>  <LOCATION_CODE> (1,420)
PTNCS

>  <AMOUNT_CURRENT> (1,420)
33.6

$$$$
WAY-311404
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 16 18  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,421)
1421

>  <Formula> (1,421)
C20H17N3O3S

>  <MolWeight> (1,421)
379.43228

>  <PCAT_CMPD_ID> (1,421)
WAY-311404

>  <CNC_ID> (1,421)
359315145

>  <transfer_container_id> (1,421)
PTN000000065

>  <COMPOUND_NUMBER> (1,421)
WAY-311404

>  <LOCATION_CODE> (1,421)
PTNCS

>  <AMOUNT_CURRENT> (1,421)
33.1

$$$$
WAY-344435
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,422)
1422

>  <Formula> (1,422)
C21H26N4OS

>  <MolWeight> (1,422)
382.52234

>  <PCAT_CMPD_ID> (1,422)
WAY-344435

>  <CNC_ID> (1,422)
359319769

>  <transfer_container_id> (1,422)
PTN000000065

>  <COMPOUND_NUMBER> (1,422)
WAY-344435

>  <LOCATION_CODE> (1,422)
PTNCS

>  <AMOUNT_CURRENT> (1,422)
32.8

$$$$
WAY-344854
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 13 11  1  0  0  0  0
 14  7  1  0  0  0  0
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 17  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,423)
1423

>  <Formula> (1,423)
C22H19N3O3S

>  <MolWeight> (1,423)
405.46956

>  <PCAT_CMPD_ID> (1,423)
WAY-344854

>  <CNC_ID> (1,423)
359320165

>  <transfer_container_id> (1,423)
PTN000000065

>  <COMPOUND_NUMBER> (1,423)
WAY-344854

>  <LOCATION_CODE> (1,423)
PTNCS

>  <AMOUNT_CURRENT> (1,423)
32.3

$$$$
WAY-329017
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 13  2  1  0  0  0  0
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 20 24  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,424)
1424

>  <Formula> (1,424)
C20H28N2O2

>  <MolWeight> (1,424)
328.44852

>  <PCAT_CMPD_ID> (1,424)
WAY-329017

>  <CNC_ID> (1,424)
359316382

>  <transfer_container_id> (1,424)
PTN000000065

>  <COMPOUND_NUMBER> (1,424)
WAY-329017

>  <LOCATION_CODE> (1,424)
PTNCS

>  <AMOUNT_CURRENT> (1,424)
32.5

$$$$
WAY-332238
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
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 15  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,425)
1425

>  <Formula> (1,425)
C21H22N2O3

>  <MolWeight> (1,425)
350.41098

>  <PCAT_CMPD_ID> (1,425)
WAY-332238

>  <CNC_ID> (1,425)
359330774

>  <transfer_container_id> (1,425)
PTN000000067

>  <COMPOUND_NUMBER> (1,425)
WAY-332238

>  <LOCATION_CODE> (1,425)
PTNCS

>  <AMOUNT_CURRENT> (1,425)
32.5

$$$$
WAY-663514
csChFnd80/10101909502D

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 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
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 10  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,426)
1426

>  <Formula> (1,426)
C18H16N2O3S2

>  <MolWeight> (1,426)
372.46124

>  <PCAT_CMPD_ID> (1,426)
WAY-663514

>  <CNC_ID> (1,426)
359326417

>  <transfer_container_id> (1,426)
PTN000000065

>  <COMPOUND_NUMBER> (1,426)
WAY-663514

>  <LOCATION_CODE> (1,426)
PTNCS

>  <AMOUNT_CURRENT> (1,426)
32.7

$$$$
WAY-329826
csChFnd80/10101909502D

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 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  2  0  0  0  0
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 20  4  1  0  0  0  0
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  3  6  1  0  0  0  0
 15 13  2  0  0  0  0
 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,427)
1427

>  <Formula> (1,427)
C18H17BrN2O2S

>  <MolWeight> (1,427)
405.30878

>  <PCAT_CMPD_ID> (1,427)
WAY-329826

>  <CNC_ID> (1,427)
359317192

>  <transfer_container_id> (1,427)
PTN000000065

>  <COMPOUND_NUMBER> (1,427)
WAY-329826

>  <LOCATION_CODE> (1,427)
PTNCS

>  <AMOUNT_CURRENT> (1,427)
32.5

$$$$
WAY-329530
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 16  6  2  0  0  0  0
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  5  3  2  0  0  0  0
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 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,428)
1428

>  <Formula> (1,428)
C17H16N2O4

>  <MolWeight> (1,428)
312.31994

>  <PCAT_CMPD_ID> (1,428)
WAY-329530

>  <CNC_ID> (1,428)
359316898

>  <transfer_container_id> (1,428)
PTN000000065

>  <COMPOUND_NUMBER> (1,428)
WAY-329530

>  <LOCATION_CODE> (1,428)
PTNCS

>  <AMOUNT_CURRENT> (1,428)
32.5

$$$$
WAY-331010
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
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 30 23  1  0  0  0  0
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M  END
>  <Mol_ID> (1,429)
1429

>  <Formula> (1,429)
C25H29N5O2

>  <MolWeight> (1,429)
431.53006

>  <PCAT_CMPD_ID> (1,429)
WAY-331010

>  <CNC_ID> (1,429)
359318365

>  <transfer_container_id> (1,429)
PTN000000065

>  <COMPOUND_NUMBER> (1,429)
WAY-331010

>  <LOCATION_CODE> (1,429)
PTNCS

>  <AMOUNT_CURRENT> (1,429)
32.5

$$$$
WAY-331450
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,430)
1430

>  <Formula> (1,430)
C15H9FN4OS

>  <MolWeight> (1,430)
312.3215632

>  <PCAT_CMPD_ID> (1,430)
WAY-331450

>  <CNC_ID> (1,430)
359318802

>  <transfer_container_id> (1,430)
PTN000000065

>  <COMPOUND_NUMBER> (1,430)
WAY-331450

>  <LOCATION_CODE> (1,430)
PTNCS

>  <AMOUNT_CURRENT> (1,430)
32.5

$$$$
WAY-329079
csChFnd80/10101909502D

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 11 10  2  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
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 15 18  2  0  0  0  0
 16  9  1  0  0  0  0
 17  5  1  0  0  0  0
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 20  6  1  0  0  0  0
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 15 11  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,431)
1431

>  <Formula> (1,431)
C25H30N2O4

>  <MolWeight> (1,431)
422.5167

>  <PCAT_CMPD_ID> (1,431)
WAY-329079

>  <CNC_ID> (1,431)
359316444

>  <transfer_container_id> (1,431)
PTN000000065

>  <COMPOUND_NUMBER> (1,431)
WAY-329079

>  <LOCATION_CODE> (1,431)
PTNCS

>  <AMOUNT_CURRENT> (1,431)
32.5

$$$$
SD-8980
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  5  1  1  0  0  0  0
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 10  9  2  0  0  0  0
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 11  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,432)
1432

>  <Formula> (1,432)
C10H12N2O

>  <MolWeight> (1,432)
176.21508

>  <PCAT_CMPD_ID> (1,432)
SD-8980

>  <CNC_ID> (1,432)
359326807

>  <transfer_container_id> (1,432)
PTN000000067

>  <COMPOUND_NUMBER> (1,432)
SD-8980

>  <LOCATION_CODE> (1,432)
PTNCS

>  <AMOUNT_CURRENT> (1,432)
32.5

$$$$
WAY-329871
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 22 18  1  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,433)
1433

>  <Formula> (1,433)
C19H20N2O

>  <MolWeight> (1,433)
292.3749

>  <PCAT_CMPD_ID> (1,433)
WAY-329871

>  <CNC_ID> (1,433)
359317237

>  <transfer_container_id> (1,433)
PTN000000065

>  <COMPOUND_NUMBER> (1,433)
WAY-329871

>  <LOCATION_CODE> (1,433)
PTNCS

>  <AMOUNT_CURRENT> (1,433)
32.5

$$$$
WAY-643631
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,434)
1434

>  <Formula> (1,434)
C10H12N2O3

>  <MolWeight> (1,434)
208.21388

>  <PCAT_CMPD_ID> (1,434)
WAY-643631

>  <CNC_ID> (1,434)
359325369

>  <transfer_container_id> (1,434)
PTN000000065

>  <COMPOUND_NUMBER> (1,434)
WAY-643631

>  <LOCATION_CODE> (1,434)
PTNCS

>  <AMOUNT_CURRENT> (1,434)
32.6

$$$$
WAY-329901
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
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 14  7  1  0  0  0  0
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  4  6  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,435)
1435

>  <Formula> (1,435)
C11H19N3O2S

>  <MolWeight> (1,435)
257.35246

>  <PCAT_CMPD_ID> (1,435)
WAY-329901

>  <CNC_ID> (1,435)
359317267

>  <transfer_container_id> (1,435)
PTN000000065

>  <COMPOUND_NUMBER> (1,435)
WAY-329901

>  <LOCATION_CODE> (1,435)
PTNCS

>  <AMOUNT_CURRENT> (1,435)
32.5

$$$$
WAY-330063
csChFnd80/10101909502D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,436)
1436

>  <Formula> (1,436)
C25H21N3O5

>  <MolWeight> (1,436)
443.45134

>  <PCAT_CMPD_ID> (1,436)
WAY-330063

>  <CNC_ID> (1,436)
359317428

>  <transfer_container_id> (1,436)
PTN000000065

>  <COMPOUND_NUMBER> (1,436)
WAY-330063

>  <LOCATION_CODE> (1,436)
PTNCS

>  <AMOUNT_CURRENT> (1,436)
32.5

$$$$
WAY-623905
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 12  7  2  0  0  0  0
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 15  8  1  0  0  0  0
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 18  4  1  0  0  0  0
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 20 10  1  0  0  0  0
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  6  3  1  0  0  0  0
 24 19  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,437)
1437

>  <Formula> (1,437)
C20H21NO3

>  <MolWeight> (1,437)
323.38564

>  <PCAT_CMPD_ID> (1,437)
WAY-623905

>  <CNC_ID> (1,437)
359322524

>  <transfer_container_id> (1,437)
PTN000000065

>  <COMPOUND_NUMBER> (1,437)
WAY-623905

>  <LOCATION_CODE> (1,437)
PTNCS

>  <AMOUNT_CURRENT> (1,437)
32.6

$$$$
WAY-329469
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
    9.9000   -5.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  4  1  2  0  0  0  0
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  8 11  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  9  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 10  8  1  0  0  0  0
  5  2  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,438)
1439

>  <Formula> (1,438)
C14H13NO3S

>  <MolWeight> (1,438)
275.32292

>  <PCAT_CMPD_ID> (1,438)
WAY-329469

>  <CNC_ID> (1,438)
359316837

>  <transfer_container_id> (1,438)
PTN000000065

>  <COMPOUND_NUMBER> (1,438)
WAY-329469

>  <LOCATION_CODE> (1,438)
PTNCS

>  <AMOUNT_CURRENT> (1,438)
32.5

$$$$
WAY-623727
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.3250    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  1  2  0  0  0  0
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 10  6  2  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
 14 16  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  2  0  0  0  0
 18 13  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
 21  9  1  0  0  0  0
 22 11  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  2  0  0  0  0
  9 11  2  0  0  0  0
  3  5  2  0  0  0  0
 23 24  1  0  0  0  0
 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,439)
1440

>  <Formula> (1,439)
C17H9Cl2N3O2

>  <MolWeight> (1,439)
358.17826

>  <PCAT_CMPD_ID> (1,439)
WAY-623727

>  <CNC_ID> (1,439)
359322347

>  <transfer_container_id> (1,439)
PTN000000065

>  <COMPOUND_NUMBER> (1,439)
WAY-623727

>  <LOCATION_CODE> (1,439)
PTNCS

>  <AMOUNT_CURRENT> (1,439)
32.2

$$$$
WAY-332731
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  1  0  0  0  0
 14  7  2  0  0  0  0
 15  8  2  0  0  0  0
 16 13  1  0  0  0  0
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 18 14  1  0  0  0  0
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 22 20  2  0  0  0  0
 21 22  1  0  0  0  0
  2  4  1  0  0  0  0
  8  7  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,440)
1441

>  <Formula> (1,440)
C16H15N3O2S

>  <MolWeight> (1,440)
313.3742

>  <PCAT_CMPD_ID> (1,440)
WAY-332731

>  <CNC_ID> (1,440)
359331267

>  <transfer_container_id> (1,440)
PTN000000067

>  <COMPOUND_NUMBER> (1,440)
WAY-332731

>  <LOCATION_CODE> (1,440)
PTNCS

>  <AMOUNT_CURRENT> (1,440)
32.5

$$$$
WAY-329735
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 17 13  1  0  0  0  0
 18  6  2  0  0  0  0
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 20 11  1  0  0  0  0
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  9  7  2  0  0  0  0
  8  6  1  0  0  0  0
 22 21  2  0  0  0  0
 13 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,441)
1442

>  <Formula> (1,441)
C16H12BrN5

>  <MolWeight> (1,441)
354.20398

>  <PCAT_CMPD_ID> (1,441)
WAY-329735

>  <CNC_ID> (1,441)
359317102

>  <transfer_container_id> (1,441)
PTN000000065

>  <COMPOUND_NUMBER> (1,441)
WAY-329735

>  <LOCATION_CODE> (1,441)
PTNCS

>  <AMOUNT_CURRENT> (1,441)
32.5

$$$$
WAY-329987
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
   13.2000   -6.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  3  1  0  0  0  0
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 13 10  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16  9  1  0  0  0  0
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 14 15  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,442)
1443

>  <Formula> (1,442)
C17H14N4O

>  <MolWeight> (1,442)
290.31926

>  <PCAT_CMPD_ID> (1,442)
WAY-329987

>  <CNC_ID> (1,442)
359317353

>  <transfer_container_id> (1,442)
PTN000000065

>  <COMPOUND_NUMBER> (1,442)
WAY-329987

>  <LOCATION_CODE> (1,442)
PTNCS

>  <AMOUNT_CURRENT> (1,442)
32.5

$$$$
WAY-330677
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  3  2  0  0  0  0
 12 15  2  0  0  0  0
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 14  2  1  0  0  0  0
 15  4  1  0  0  0  0
 16 18  1  0  0  0  0
 17  4  2  0  0  0  0
 18 14  1  0  0  0  0
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  5 16  1  0  0  0  0
 25 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,443)
1444

>  <Formula> (1,443)
C18H21N3O3S

>  <MolWeight> (1,443)
359.44264

>  <PCAT_CMPD_ID> (1,443)
WAY-330677

>  <CNC_ID> (1,443)
359318032

>  <transfer_container_id> (1,443)
PTN000000065

>  <COMPOUND_NUMBER> (1,443)
WAY-330677

>  <LOCATION_CODE> (1,443)
PTNCS

>  <AMOUNT_CURRENT> (1,443)
32.5

$$$$
WAY-330238
csChFnd80/10101909502D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
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 14  3  1  0  0  0  0
 15  6  1  0  0  0  0
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 13  8  2  0  0  0  0
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 29 27  2  0  0  0  0
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M  END
>  <Mol_ID> (1,444)
1445

>  <Formula> (1,444)
C22H17N5O2

>  <MolWeight> (1,444)
383.40268

>  <PCAT_CMPD_ID> (1,444)
WAY-330238

>  <CNC_ID> (1,444)
359317603

>  <transfer_container_id> (1,444)
PTN000000065

>  <COMPOUND_NUMBER> (1,444)
WAY-330238

>  <LOCATION_CODE> (1,444)
PTNCS

>  <AMOUNT_CURRENT> (1,444)
32.5

$$$$
WAY-641691
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 15  4  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,445)
1446

>  <Formula> (1,445)
C22H31N3OS

>  <MolWeight> (1,445)
385.56604

>  <PCAT_CMPD_ID> (1,445)
WAY-641691

>  <CNC_ID> (1,445)
359323429

>  <transfer_container_id> (1,445)
PTN000000065

>  <COMPOUND_NUMBER> (1,445)
WAY-641691

>  <LOCATION_CODE> (1,445)
PTNCS

>  <AMOUNT_CURRENT> (1,445)
32.3

$$$$
WAY-335030
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,446)
1447

>  <Formula> (1,446)
C24H22N2O5

>  <MolWeight> (1,446)
418.44188

>  <PCAT_CMPD_ID> (1,446)
WAY-335030

>  <CNC_ID> (1,446)
359333560

>  <transfer_container_id> (1,446)
PTN000000067

>  <COMPOUND_NUMBER> (1,446)
WAY-335030

>  <LOCATION_CODE> (1,446)
PTNCS

>  <AMOUNT_CURRENT> (1,446)
32.5

$$$$
WAY-335031
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 11 21  2  0  0  0  0
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M  END
>  <Mol_ID> (1,447)
1448

>  <Formula> (1,447)
C23H25N3O4S

>  <MolWeight> (1,447)
439.5273

>  <PCAT_CMPD_ID> (1,447)
WAY-335031

>  <CNC_ID> (1,447)
359333561

>  <transfer_container_id> (1,447)
PTN000000067

>  <COMPOUND_NUMBER> (1,447)
WAY-335031

>  <LOCATION_CODE> (1,447)
PTNCS

>  <AMOUNT_CURRENT> (1,447)
32.5

$$$$
WAY-335044
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
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 16  6  1  0  0  0  0
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 15 18  2  0  0  0  0
  2  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,448)
1449

>  <Formula> (1,448)
C14H13ClO5S

>  <MolWeight> (1,448)
328.76802

>  <PCAT_CMPD_ID> (1,448)
WAY-335044

>  <CNC_ID> (1,448)
359333573

>  <transfer_container_id> (1,448)
PTN000000067

>  <COMPOUND_NUMBER> (1,448)
WAY-335044

>  <LOCATION_CODE> (1,448)
PTNCS

>  <AMOUNT_CURRENT> (1,448)
32.5

$$$$
WAY-335097
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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 16 12  1  0  0  0  0
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 26 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,449)
1450

>  <Formula> (1,449)
C22H17NO4S

>  <MolWeight> (1,449)
391.43968

>  <PCAT_CMPD_ID> (1,449)
WAY-335097

>  <CNC_ID> (1,449)
359333624

>  <transfer_container_id> (1,449)
PTN000000067

>  <COMPOUND_NUMBER> (1,449)
WAY-335097

>  <LOCATION_CODE> (1,449)
PTNCS

>  <AMOUNT_CURRENT> (1,449)
32.5

$$$$
WAY-337924
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,450)
1451

>  <Formula> (1,450)
C20H21BrN2O3S

>  <MolWeight> (1,450)
449.36134

>  <PCAT_CMPD_ID> (1,450)
WAY-337924

>  <CNC_ID> (1,450)
359347175

>  <transfer_container_id> (1,450)
PTN000000068

>  <COMPOUND_NUMBER> (1,450)
WAY-337924

>  <LOCATION_CODE> (1,450)
PTNCS

>  <AMOUNT_CURRENT> (1,450)
32.5

$$$$
WAY-611945
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,451)
1452

>  <Formula> (1,451)
C20H20ClN3O4S

>  <MolWeight> (1,451)
433.9085

>  <PCAT_CMPD_ID> (1,451)
WAY-611945

>  <CNC_ID> (1,451)
359347847

>  <transfer_container_id> (1,451)
PTN000000068

>  <COMPOUND_NUMBER> (1,451)
WAY-611945

>  <LOCATION_CODE> (1,451)
PTNCS

>  <AMOUNT_CURRENT> (1,451)
32.3

$$$$
CL-207115
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,452)
1453

>  <Formula> (1,452)
C13H8ClN3O2S

>  <MolWeight> (1,452)
305.73952

>  <PCAT_CMPD_ID> (1,452)
CL-207115

>  <CNC_ID> (1,452)
359353705

>  <transfer_container_id> (1,452)
PTN000000069

>  <COMPOUND_NUMBER> (1,452)
CL-207115

>  <LOCATION_CODE> (1,452)
PTNCS

>  <AMOUNT_CURRENT> (1,452)
28

$$$$
WAY-338693
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,453)
1454

>  <Formula> (1,453)
C21H18N2O3

>  <MolWeight> (1,453)
346.37922

>  <PCAT_CMPD_ID> (1,453)
WAY-338693

>  <CNC_ID> (1,453)
359359310

>  <transfer_container_id> (1,453)
PTN000000069

>  <COMPOUND_NUMBER> (1,453)
WAY-338693

>  <LOCATION_CODE> (1,453)
PTNCS

>  <AMOUNT_CURRENT> (1,453)
32.5

$$$$
WAY-338818
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,454)
1455

>  <Formula> (1,454)
C11H13N3O4S

>  <MolWeight> (1,454)
283.30362

>  <PCAT_CMPD_ID> (1,454)
WAY-338818

>  <CNC_ID> (1,454)
359359435

>  <transfer_container_id> (1,454)
PTN000000069

>  <COMPOUND_NUMBER> (1,454)
WAY-338818

>  <LOCATION_CODE> (1,454)
PTNCS

>  <AMOUNT_CURRENT> (1,454)
32.5

$$$$
WAY-338857
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,455)
1456

>  <Formula> (1,455)
C21H20N2O2S

>  <MolWeight> (1,455)
364.4607

>  <PCAT_CMPD_ID> (1,455)
WAY-338857

>  <CNC_ID> (1,455)
359359474

>  <transfer_container_id> (1,455)
PTN000000069

>  <COMPOUND_NUMBER> (1,455)
WAY-338857

>  <LOCATION_CODE> (1,455)
PTNCS

>  <AMOUNT_CURRENT> (1,455)
32.5

$$$$
WAY-339294
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,456)
1457

>  <Formula> (1,456)
C12H12N2O2

>  <MolWeight> (1,456)
216.23588

>  <PCAT_CMPD_ID> (1,456)
WAY-339294

>  <CNC_ID> (1,456)
359359911

>  <transfer_container_id> (1,456)
PTN000000069

>  <COMPOUND_NUMBER> (1,456)
WAY-339294

>  <LOCATION_CODE> (1,456)
PTNCS

>  <AMOUNT_CURRENT> (1,456)
32.5

$$$$
WAY-613292
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,457)
1458

>  <Formula> (1,457)
C19H31NO2

>  <MolWeight> (1,457)
305.45494

>  <PCAT_CMPD_ID> (1,457)
WAY-613292

>  <CNC_ID> (1,457)
359361315

>  <transfer_container_id> (1,457)
PTN000000069

>  <COMPOUND_NUMBER> (1,457)
WAY-613292

>  <LOCATION_CODE> (1,457)
PTNCS

>  <AMOUNT_CURRENT> (1,457)
32

$$$$
WAY-613478
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,458)
1459

>  <Formula> (1,458)
C14H14N4O4

>  <MolWeight> (1,458)
302.28536

>  <PCAT_CMPD_ID> (1,458)
WAY-613478

>  <CNC_ID> (1,458)
359361501

>  <transfer_container_id> (1,458)
PTN000000069

>  <COMPOUND_NUMBER> (1,458)
WAY-613478

>  <LOCATION_CODE> (1,458)
PTNCS

>  <AMOUNT_CURRENT> (1,458)
32.3

$$$$
WAY-613498
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,459)
1460

>  <Formula> (1,459)
C17H18BrN3O2

>  <MolWeight> (1,459)
376.24772

>  <PCAT_CMPD_ID> (1,459)
WAY-613498

>  <CNC_ID> (1,459)
359361521

>  <transfer_container_id> (1,459)
PTN000000069

>  <COMPOUND_NUMBER> (1,459)
WAY-613498

>  <LOCATION_CODE> (1,459)
PTNCS

>  <AMOUNT_CURRENT> (1,459)
32.6

$$$$
WAY-630597-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,460)
1461

>  <Formula> (1,460)
C18H27NO

>  <MolWeight> (1,460)
273.41308

>  <PCAT_CMPD_ID> (1,460)
WAY-630597

>  <CNC_ID> (1,460)
359363116

>  <transfer_container_id> (1,460)
PTN000000069

>  <COMPOUND_NUMBER> (1,460)
WAY-630597

>  <LOCATION_CODE> (1,460)
PTNCS

>  <AMOUNT_CURRENT> (1,460)
32.8

$$$$
WAY-631932
csChFnd80/10101909502D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,461)
1462

>  <Formula> (1,461)
C24H24N2O2S3

>  <MolWeight> (1,461)
468.65456

>  <PCAT_CMPD_ID> (1,461)
WAY-631932

>  <CNC_ID> (1,461)
359364452

>  <transfer_container_id> (1,461)
PTN000000069

>  <COMPOUND_NUMBER> (1,461)
WAY-631932

>  <LOCATION_CODE> (1,461)
PTNCS

>  <AMOUNT_CURRENT> (1,461)
32

$$$$
WAY-650238
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,462)
1463

>  <Formula> (1,462)
C15H10ClFN2O2

>  <MolWeight> (1,462)
304.7035032

>  <PCAT_CMPD_ID> (1,462)
WAY-650238

>  <CNC_ID> (1,462)
359365945

>  <transfer_container_id> (1,462)
PTN000000069

>  <COMPOUND_NUMBER> (1,462)
WAY-650238

>  <LOCATION_CODE> (1,462)
PTNCS

>  <AMOUNT_CURRENT> (1,462)
32.6

$$$$
WAY-271032
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,463)
1464

>  <Formula> (1,463)
C13H13NO4S

>  <MolWeight> (1,463)
279.31162

>  <PCAT_CMPD_ID> (1,463)
WAY-271032

>  <CNC_ID> (1,463)
359369861

>  <transfer_container_id> (1,463)
PTN000000070

>  <COMPOUND_NUMBER> (1,463)
WAY-271032

>  <LOCATION_CODE> (1,463)
PTNCS

>  <AMOUNT_CURRENT> (1,463)
29.2

$$$$
WAY-271068
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,464)
1465

>  <Formula> (1,464)
C17H11F2N3OS

>  <MolWeight> (1,464)
343.3505464

>  <PCAT_CMPD_ID> (1,464)
WAY-271068

>  <CNC_ID> (1,464)
359369897

>  <transfer_container_id> (1,464)
PTN000000070

>  <COMPOUND_NUMBER> (1,464)
WAY-271068

>  <LOCATION_CODE> (1,464)
PTNCS

>  <AMOUNT_CURRENT> (1,464)
32.5

$$$$
WAY-601243
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,465)
1466

>  <Formula> (1,465)
C15H16N2O2

>  <MolWeight> (1,465)
256.29974

>  <PCAT_CMPD_ID> (1,465)
WAY-601243

>  <CNC_ID> (1,465)
359374971

>  <transfer_container_id> (1,465)
PTN000000070

>  <COMPOUND_NUMBER> (1,465)
WAY-601243

>  <LOCATION_CODE> (1,465)
PTNCS

>  <AMOUNT_CURRENT> (1,465)
29.4

$$$$
WAY-600705
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,466)
1467

>  <Formula> (1,466)
C7H10N6O

>  <MolWeight> (1,466)
194.1939

>  <PCAT_CMPD_ID> (1,466)
WAY-600705

>  <CNC_ID> (1,466)
359374424

>  <transfer_container_id> (1,466)
PTN000000070

>  <COMPOUND_NUMBER> (1,466)
WAY-600705

>  <LOCATION_CODE> (1,466)
PTNCS

>  <AMOUNT_CURRENT> (1,466)
32.6

$$$$
WAY-320344
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,467)
1468

>  <Formula> (1,467)
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>  <MolWeight> (1,467)
284.31314

>  <PCAT_CMPD_ID> (1,467)
WAY-320344

>  <CNC_ID> (1,467)
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>  <transfer_container_id> (1,467)
PTN000000071

>  <COMPOUND_NUMBER> (1,467)
WAY-320344

>  <LOCATION_CODE> (1,467)
PTNCS

>  <AMOUNT_CURRENT> (1,467)
32.5

$$$$
WAY-320385
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,468)
1469

>  <Formula> (1,468)
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>  <MolWeight> (1,468)
262.32746

>  <PCAT_CMPD_ID> (1,468)
WAY-320385

>  <CNC_ID> (1,468)
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>  <transfer_container_id> (1,468)
PTN000000071

>  <COMPOUND_NUMBER> (1,468)
WAY-320385

>  <LOCATION_CODE> (1,468)
PTNCS

>  <AMOUNT_CURRENT> (1,468)
32.5

$$$$
WAY-320395
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,469)
1470

>  <Formula> (1,469)
C19H14N2

>  <MolWeight> (1,469)
270.32786

>  <PCAT_CMPD_ID> (1,469)
WAY-320395

>  <CNC_ID> (1,469)
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>  <transfer_container_id> (1,469)
PTN000000071

>  <COMPOUND_NUMBER> (1,469)
WAY-320395

>  <LOCATION_CODE> (1,469)
PTNCS

>  <AMOUNT_CURRENT> (1,469)
32.5

$$$$
WAY-601964
csChFnd80/10101909502D

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>  <Mol_ID> (1,470)
1471

>  <Formula> (1,470)
C20H20FN5O3S

>  <MolWeight> (1,470)
429.4679032

>  <PCAT_CMPD_ID> (1,470)
WAY-601964

>  <CNC_ID> (1,470)
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>  <transfer_container_id> (1,470)
PTN000000071

>  <COMPOUND_NUMBER> (1,470)
WAY-601964

>  <LOCATION_CODE> (1,470)
PTNCS

>  <AMOUNT_CURRENT> (1,470)
32.7

$$$$
WAY-602183
csChFnd80/10101909502D

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>  <Mol_ID> (1,471)
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>  <Formula> (1,471)
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>  <MolWeight> (1,471)
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>  <PCAT_CMPD_ID> (1,471)
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>  <CNC_ID> (1,471)
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>  <transfer_container_id> (1,471)
PTN000000071

>  <COMPOUND_NUMBER> (1,471)
WAY-602183

>  <LOCATION_CODE> (1,471)
PTNCS

>  <AMOUNT_CURRENT> (1,471)
32.6

$$$$
WAY-653888
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,472)
1473

>  <Formula> (1,472)
C26H26FN5

>  <MolWeight> (1,472)
427.5165432

>  <PCAT_CMPD_ID> (1,472)
WAY-653888

>  <CNC_ID> (1,472)
359392129

>  <transfer_container_id> (1,472)
PTN000000071

>  <COMPOUND_NUMBER> (1,472)
WAY-653888

>  <LOCATION_CODE> (1,472)
PTNCS

>  <AMOUNT_CURRENT> (1,472)
32

$$$$
WAY-653891
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,473)
1474

>  <Formula> (1,473)
C22H21N3O2S

>  <MolWeight> (1,473)
391.48604

>  <PCAT_CMPD_ID> (1,473)
WAY-653891

>  <CNC_ID> (1,473)
359392132

>  <transfer_container_id> (1,473)
PTN000000071

>  <COMPOUND_NUMBER> (1,473)
WAY-653891

>  <LOCATION_CODE> (1,473)
PTNCS

>  <AMOUNT_CURRENT> (1,473)
32.1

$$$$
WAY-320701
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,474)
1475

>  <Formula> (1,474)
C21H19NO5

>  <MolWeight> (1,474)
365.37926

>  <PCAT_CMPD_ID> (1,474)
WAY-320701

>  <CNC_ID> (1,474)
359396835

>  <transfer_container_id> (1,474)
PTN000000072

>  <COMPOUND_NUMBER> (1,474)
WAY-320701

>  <LOCATION_CODE> (1,474)
PTNCS

>  <AMOUNT_CURRENT> (1,474)
32.5

$$$$
WAY-321011
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,475)
1476

>  <Formula> (1,475)
C21H19NO4S

>  <MolWeight> (1,475)
381.44486

>  <PCAT_CMPD_ID> (1,475)
WAY-321011

>  <CNC_ID> (1,475)
359397143

>  <transfer_container_id> (1,475)
PTN000000072

>  <COMPOUND_NUMBER> (1,475)
WAY-321011

>  <LOCATION_CODE> (1,475)
PTNCS

>  <AMOUNT_CURRENT> (1,475)
32.5

$$$$
WAY-321416-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,476)
1477

>  <Formula> (1,476)
C21H25NO3

>  <MolWeight> (1,476)
339.4281

>  <PCAT_CMPD_ID> (1,476)
WAY-321416-A

>  <CNC_ID> (1,476)
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>  <transfer_container_id> (1,476)
PTN000000072

>  <COMPOUND_NUMBER> (1,476)
WAY-321416-A

>  <LOCATION_CODE> (1,476)
PTNCS

>  <AMOUNT_CURRENT> (1,476)
32.5

$$$$
WAY-321504
csChFnd80/10101909502D

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 10  2  2  0  0  0  0
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M  END
>  <Mol_ID> (1,477)
1478

>  <Formula> (1,477)
C13H13BrN2O5S

>  <MolWeight> (1,477)
389.22172

>  <PCAT_CMPD_ID> (1,477)
WAY-321504

>  <CNC_ID> (1,477)
359397627

>  <transfer_container_id> (1,477)
PTN000000072

>  <COMPOUND_NUMBER> (1,477)
WAY-321504

>  <LOCATION_CODE> (1,477)
PTNCS

>  <AMOUNT_CURRENT> (1,477)
32.5

$$$$
WAY-321960
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,478)
1479

>  <Formula> (1,478)
C15H18N2O3

>  <MolWeight> (1,478)
274.31502

>  <PCAT_CMPD_ID> (1,478)
WAY-321960

>  <CNC_ID> (1,478)
359398065

>  <transfer_container_id> (1,478)
PTN000000072

>  <COMPOUND_NUMBER> (1,478)
WAY-321960

>  <LOCATION_CODE> (1,478)
PTNCS

>  <AMOUNT_CURRENT> (1,478)
32.5

$$$$
WAY-321977
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,479)
1480

>  <Formula> (1,479)
C24H29N3O3

>  <MolWeight> (1,479)
407.50536

>  <PCAT_CMPD_ID> (1,479)
WAY-321977

>  <CNC_ID> (1,479)
359398082

>  <transfer_container_id> (1,479)
PTN000000072

>  <COMPOUND_NUMBER> (1,479)
WAY-321977

>  <LOCATION_CODE> (1,479)
PTNCS

>  <AMOUNT_CURRENT> (1,479)
32.5

$$$$
WAY-322284
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,480)
1481

>  <Formula> (1,480)
C21H22N2O3S

>  <MolWeight> (1,480)
382.47598

>  <PCAT_CMPD_ID> (1,480)
WAY-322284

>  <CNC_ID> (1,480)
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>  <transfer_container_id> (1,480)
PTN000000072

>  <COMPOUND_NUMBER> (1,480)
WAY-322284

>  <LOCATION_CODE> (1,480)
PTNCS

>  <AMOUNT_CURRENT> (1,480)
32.5

$$$$
WAY-322417
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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 10  7  2  0  0  0  0
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  3  2  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,481)
1482

>  <Formula> (1,481)
C17H22N2O3S

>  <MolWeight> (1,481)
334.43318

>  <PCAT_CMPD_ID> (1,481)
WAY-322417

>  <CNC_ID> (1,481)
359398509

>  <transfer_container_id> (1,481)
PTN000000072

>  <COMPOUND_NUMBER> (1,481)
WAY-322417

>  <LOCATION_CODE> (1,481)
PTNCS

>  <AMOUNT_CURRENT> (1,481)
32.5

$$$$
WAY-322569
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
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 15 10  2  0  0  0  0
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 17  9  2  0  0  0  0
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 19  5  1  0  0  0  0
 20  6  2  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
 18 12  2  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,482)
1483

>  <Formula> (1,482)
C18H19N3O

>  <MolWeight> (1,482)
293.36296

>  <PCAT_CMPD_ID> (1,482)
WAY-322569

>  <CNC_ID> (1,482)
359398647

>  <transfer_container_id> (1,482)
PTN000000072

>  <COMPOUND_NUMBER> (1,482)
WAY-322569

>  <LOCATION_CODE> (1,482)
PTNCS

>  <AMOUNT_CURRENT> (1,482)
32.5

$$$$
WAY-322581
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.6987   -0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  2  0  0  0  0
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  8 12  1  0  0  0  0
  8 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
  7 11  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,483)
1484

>  <Formula> (1,483)
C11H16N2O2S

>  <MolWeight> (1,483)
240.32194

>  <PCAT_CMPD_ID> (1,483)
WAY-322581

>  <CNC_ID> (1,483)
359398659

>  <transfer_container_id> (1,483)
PTN000000072

>  <COMPOUND_NUMBER> (1,483)
WAY-322581

>  <LOCATION_CODE> (1,483)
PTNCS

>  <AMOUNT_CURRENT> (1,483)
32.5

$$$$
WAY-322688
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
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 18  6  1  0  0  0  0
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 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,484)
1485

>  <Formula> (1,484)
C20H18O7

>  <MolWeight> (1,484)
370.35272

>  <PCAT_CMPD_ID> (1,484)
WAY-322688

>  <CNC_ID> (1,484)
359398765

>  <transfer_container_id> (1,484)
PTN000000072

>  <COMPOUND_NUMBER> (1,484)
WAY-322688

>  <LOCATION_CODE> (1,484)
PTNCS

>  <AMOUNT_CURRENT> (1,484)
32.5

$$$$
WAY-322974
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
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 20 18  1  0  0  0  0
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 13 17  2  0  0  0  0
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M  END
>  <Mol_ID> (1,485)
1486

>  <Formula> (1,485)
C17H16N2O

>  <MolWeight> (1,485)
264.32174

>  <PCAT_CMPD_ID> (1,485)
WAY-322974

>  <CNC_ID> (1,485)
359399045

>  <transfer_container_id> (1,485)
PTN000000072

>  <COMPOUND_NUMBER> (1,485)
WAY-322974

>  <LOCATION_CODE> (1,485)
PTNCS

>  <AMOUNT_CURRENT> (1,485)
32.5

$$$$
WAY-323004
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,486)
1487

>  <Formula> (1,486)
C19H16ClN3OS

>  <MolWeight> (1,486)
369.86784

>  <PCAT_CMPD_ID> (1,486)
WAY-323004

>  <CNC_ID> (1,486)
359399075

>  <transfer_container_id> (1,486)
PTN000000072

>  <COMPOUND_NUMBER> (1,486)
WAY-323004

>  <LOCATION_CODE> (1,486)
PTNCS

>  <AMOUNT_CURRENT> (1,486)
32.5

$$$$
WAY-227982
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 11 10  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,487)
1488

>  <Formula> (1,487)
C12H11NO5

>  <MolWeight> (1,487)
249.21944

>  <PCAT_CMPD_ID> (1,487)
WAY-227982

>  <CNC_ID> (1,487)
359313878

>  <transfer_container_id> (1,487)
PTN000000065

>  <COMPOUND_NUMBER> (1,487)
WAY-227982

>  <LOCATION_CODE> (1,487)
PTNCS

>  <AMOUNT_CURRENT> (1,487)
33.2

$$$$
WAY-312346
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,488)
1489

>  <Formula> (1,488)
C21H24N4O2S2

>  <MolWeight> (1,488)
428.57086

>  <PCAT_CMPD_ID> (1,488)
WAY-312346

>  <CNC_ID> (1,488)
359316086

>  <transfer_container_id> (1,488)
PTN000000065

>  <COMPOUND_NUMBER> (1,488)
WAY-312346

>  <LOCATION_CODE> (1,488)
PTNCS

>  <AMOUNT_CURRENT> (1,488)
33.8

$$$$
WAY-345207
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,489)
1490

>  <Formula> (1,489)
C16H18N2O2S

>  <MolWeight> (1,489)
302.39132

>  <PCAT_CMPD_ID> (1,489)
WAY-345207

>  <CNC_ID> (1,489)
359320509

>  <transfer_container_id> (1,489)
PTN000000065

>  <COMPOUND_NUMBER> (1,489)
WAY-345207

>  <LOCATION_CODE> (1,489)
PTNCS

>  <AMOUNT_CURRENT> (1,489)
24.69

$$$$
WAY-310444
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,490)
1491

>  <Formula> (1,490)
C16H17N3O4

>  <MolWeight> (1,490)
315.32388

>  <PCAT_CMPD_ID> (1,490)
WAY-310444

>  <CNC_ID> (1,490)
359314185

>  <transfer_container_id> (1,490)
PTN000000065

>  <COMPOUND_NUMBER> (1,490)
WAY-310444

>  <LOCATION_CODE> (1,490)
PTNCS

>  <AMOUNT_CURRENT> (1,490)
33.9

$$$$
WAY-312360
csChFnd80/10101909502D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,491)
1492

>  <Formula> (1,491)
C27H30N2O5

>  <MolWeight> (1,491)
462.5375

>  <PCAT_CMPD_ID> (1,491)
WAY-312360

>  <CNC_ID> (1,491)
359316100

>  <transfer_container_id> (1,491)
PTN000000065

>  <COMPOUND_NUMBER> (1,491)
WAY-312360

>  <LOCATION_CODE> (1,491)
PTNCS

>  <AMOUNT_CURRENT> (1,491)
33.4

$$$$
WAY-310446
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,492)
1493

>  <Formula> (1,492)
C16H19N3O3

>  <MolWeight> (1,492)
301.34036

>  <PCAT_CMPD_ID> (1,492)
WAY-310446

>  <CNC_ID> (1,492)
359314187

>  <transfer_container_id> (1,492)
PTN000000065

>  <COMPOUND_NUMBER> (1,492)
WAY-310446

>  <LOCATION_CODE> (1,492)
PTNCS

>  <AMOUNT_CURRENT> (1,492)
33.1

$$$$
WAY-311842
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,493)
1494

>  <Formula> (1,493)
C17H13NO2S

>  <MolWeight> (1,493)
295.35562

>  <PCAT_CMPD_ID> (1,493)
WAY-311842

>  <CNC_ID> (1,493)
359315583

>  <transfer_container_id> (1,493)
PTN000000065

>  <COMPOUND_NUMBER> (1,493)
WAY-311842

>  <LOCATION_CODE> (1,493)
PTNCS

>  <AMOUNT_CURRENT> (1,493)
33.1

$$$$
WAY-344108
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,494)
1495

>  <Formula> (1,494)
C23H21N3O4S

>  <MolWeight> (1,494)
435.49554

>  <PCAT_CMPD_ID> (1,494)
WAY-344108

>  <CNC_ID> (1,494)
359319444

>  <transfer_container_id> (1,494)
PTN000000065

>  <COMPOUND_NUMBER> (1,494)
WAY-344108

>  <LOCATION_CODE> (1,494)
PTNCS

>  <AMOUNT_CURRENT> (1,494)
23.1

$$$$
WAY-344079
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,495)
1496

>  <Formula> (1,495)
C19H15FN2O3S

>  <MolWeight> (1,495)
370.3974032

>  <PCAT_CMPD_ID> (1,495)
WAY-344079

>  <CNC_ID> (1,495)
359319415

>  <transfer_container_id> (1,495)
PTN000000065

>  <COMPOUND_NUMBER> (1,495)
WAY-344079

>  <LOCATION_CODE> (1,495)
PTNCS

>  <AMOUNT_CURRENT> (1,495)
32.5

$$$$
WAY-345267
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,496)
1497

>  <Formula> (1,496)
C23H23NO4

>  <MolWeight> (1,496)
377.43302

>  <PCAT_CMPD_ID> (1,496)
WAY-345267

>  <CNC_ID> (1,496)
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>  <transfer_container_id> (1,496)
PTN000000065

>  <COMPOUND_NUMBER> (1,496)
WAY-345267

>  <LOCATION_CODE> (1,496)
PTNCS

>  <AMOUNT_CURRENT> (1,496)
32.8

$$$$
WAY-216470
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,497)
1498

>  <Formula> (1,497)
C24H23N3O6S

>  <MolWeight> (1,497)
481.52092

>  <PCAT_CMPD_ID> (1,497)
WAY-216470

>  <CNC_ID> (1,497)
359313791

>  <transfer_container_id> (1,497)
PTN000000065

>  <COMPOUND_NUMBER> (1,497)
WAY-216470

>  <LOCATION_CODE> (1,497)
PTNCS

>  <AMOUNT_CURRENT> (1,497)
33.9

$$$$
WAY-313365
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,498)
1499

>  <Formula> (1,498)
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>  <MolWeight> (1,498)
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>  <PCAT_CMPD_ID> (1,498)
WAY-313365

>  <CNC_ID> (1,498)
359328401

>  <transfer_container_id> (1,498)
PTN000000067

>  <COMPOUND_NUMBER> (1,498)
WAY-313365

>  <LOCATION_CODE> (1,498)
PTNCS

>  <AMOUNT_CURRENT> (1,498)
33.6

$$$$
WAY-310537-A
csChFnd80/10101909502D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,499)
1500

>  <Formula> (1,499)
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>  <MolWeight> (1,499)
157.12408

>  <PCAT_CMPD_ID> (1,499)
WAY-310537-A

>  <CNC_ID> (1,499)
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>  <transfer_container_id> (1,499)
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>  <COMPOUND_NUMBER> (1,499)
WAY-310537-A

>  <LOCATION_CODE> (1,499)
PTNCS

>  <AMOUNT_CURRENT> (1,499)
33.7

$$$$
WAY-312287
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,500)
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>  <Formula> (1,500)
C19H22N2O4S

>  <MolWeight> (1,500)
374.45398

>  <PCAT_CMPD_ID> (1,500)
WAY-312287

>  <CNC_ID> (1,500)
359316027

>  <transfer_container_id> (1,500)
PTN000000065

>  <COMPOUND_NUMBER> (1,500)
WAY-312287

>  <LOCATION_CODE> (1,500)
PTNCS

>  <AMOUNT_CURRENT> (1,500)
33

$$$$
WAY-344789
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,501)
1502

>  <Formula> (1,501)
C21H25FN2O3

>  <MolWeight> (1,501)
372.4332032

>  <PCAT_CMPD_ID> (1,501)
WAY-344789

>  <CNC_ID> (1,501)
359320100

>  <transfer_container_id> (1,501)
PTN000000065

>  <COMPOUND_NUMBER> (1,501)
WAY-344789

>  <LOCATION_CODE> (1,501)
PTNCS

>  <AMOUNT_CURRENT> (1,501)
32.2

$$$$
WAY-310311
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,502)
1503

>  <Formula> (1,502)
C14H13ClN2O2

>  <MolWeight> (1,502)
276.71822

>  <PCAT_CMPD_ID> (1,502)
WAY-310311

>  <CNC_ID> (1,502)
359314052

>  <transfer_container_id> (1,502)
PTN000000065

>  <COMPOUND_NUMBER> (1,502)
WAY-310311

>  <LOCATION_CODE> (1,502)
PTNCS

>  <AMOUNT_CURRENT> (1,502)
33.7

$$$$
WAY-310525
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
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 20  5  1  0  0  0  0
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  3  2  1  0  0  0  0
 11  8  1  0  0  0  0
 14 17  2  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,503)
1504

>  <Formula> (1,503)
C21H21N5O3

>  <MolWeight> (1,503)
391.42314

>  <PCAT_CMPD_ID> (1,503)
WAY-310525

>  <CNC_ID> (1,503)
359314266

>  <transfer_container_id> (1,503)
PTN000000065

>  <COMPOUND_NUMBER> (1,503)
WAY-310525

>  <LOCATION_CODE> (1,503)
PTNCS

>  <AMOUNT_CURRENT> (1,503)
33.3

$$$$
WAY-344621
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 11  7  2  0  0  0  0
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 13  4  1  0  0  0  0
 14  8  2  0  0  0  0
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  5  3  1  0  0  0  0
 29 27  1  0  0  0  0
  6  9  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,504)
1505

>  <Formula> (1,504)
C23H21N3O2S

>  <MolWeight> (1,504)
403.49674

>  <PCAT_CMPD_ID> (1,504)
WAY-344621

>  <CNC_ID> (1,504)
359319938

>  <transfer_container_id> (1,504)
PTN000000065

>  <COMPOUND_NUMBER> (1,504)
WAY-344621

>  <LOCATION_CODE> (1,504)
PTNCS

>  <AMOUNT_CURRENT> (1,504)
32.3

$$$$
WAY-344801
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
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 14  8  2  0  0  0  0
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 17  5  1  0  0  0  0
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 20 18  1  0  0  0  0
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M  END
>  <Mol_ID> (1,505)
1506

>  <Formula> (1,505)
C19H17FN2O3

>  <MolWeight> (1,505)
340.3482832

>  <PCAT_CMPD_ID> (1,505)
WAY-344801

>  <CNC_ID> (1,505)
359320112

>  <transfer_container_id> (1,505)
PTN000000065

>  <COMPOUND_NUMBER> (1,505)
WAY-344801

>  <LOCATION_CODE> (1,505)
PTNCS

>  <AMOUNT_CURRENT> (1,505)
32.7

$$$$
WAY-312175
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,506)
1507

>  <Formula> (1,506)
C18H18Cl2N2O3S

>  <MolWeight> (1,506)
413.31812

>  <PCAT_CMPD_ID> (1,506)
WAY-312175

>  <CNC_ID> (1,506)
359315915

>  <transfer_container_id> (1,506)
PTN000000065

>  <COMPOUND_NUMBER> (1,506)
WAY-312175

>  <LOCATION_CODE> (1,506)
PTNCS

>  <AMOUNT_CURRENT> (1,506)
33

$$$$
GI-570431
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,507)
1508

>  <Formula> (1,507)
C22H17NO4

>  <MolWeight> (1,507)
359.37468

>  <PCAT_CMPD_ID> (1,507)
GI-570431

>  <CNC_ID> (1,507)
359313669

>  <transfer_container_id> (1,507)
PTN000000065

>  <COMPOUND_NUMBER> (1,507)
GI-570431

>  <LOCATION_CODE> (1,507)
PTNCS

>  <AMOUNT_CURRENT> (1,507)
33.5

$$$$
WAY-344114
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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 15  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,508)
1509

>  <Formula> (1,508)
C18H19N5OS

>  <MolWeight> (1,508)
353.44136

>  <PCAT_CMPD_ID> (1,508)
WAY-344114

>  <CNC_ID> (1,508)
359319450

>  <transfer_container_id> (1,508)
PTN000000065

>  <COMPOUND_NUMBER> (1,508)
WAY-344114

>  <LOCATION_CODE> (1,508)
PTNCS

>  <AMOUNT_CURRENT> (1,508)
25.9

$$$$
WAY-343886
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 11  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,509)
1510

>  <Formula> (1,509)
C13H12N4OS

>  <MolWeight> (1,509)
272.32558

>  <PCAT_CMPD_ID> (1,509)
WAY-343886

>  <CNC_ID> (1,509)
359319227

>  <transfer_container_id> (1,509)
PTN000000065

>  <COMPOUND_NUMBER> (1,509)
WAY-343886

>  <LOCATION_CODE> (1,509)
PTNCS

>  <AMOUNT_CURRENT> (1,509)
30.8

$$$$
WAY-310343
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 16 18  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,510)
1511

>  <Formula> (1,510)
C21H23ClN2O3

>  <MolWeight> (1,510)
386.87192

>  <PCAT_CMPD_ID> (1,510)
WAY-310343

>  <CNC_ID> (1,510)
359314084

>  <transfer_container_id> (1,510)
PTN000000065

>  <COMPOUND_NUMBER> (1,510)
WAY-310343

>  <LOCATION_CODE> (1,510)
PTNCS

>  <AMOUNT_CURRENT> (1,510)
33.8

$$$$
WAY-312997
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,511)
1512

>  <Formula> (1,511)
C21H16ClN3O3S2

>  <MolWeight> (1,511)
457.95304

>  <PCAT_CMPD_ID> (1,511)
WAY-312997

>  <CNC_ID> (1,511)
359328034

>  <transfer_container_id> (1,511)
PTN000000067

>  <COMPOUND_NUMBER> (1,511)
WAY-312997

>  <LOCATION_CODE> (1,511)
PTNCS

>  <AMOUNT_CURRENT> (1,511)
33.1

$$$$
WAY-311030
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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  5  9  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,512)
1513

>  <Formula> (1,512)
C8H11N3O4S

>  <MolWeight> (1,512)
245.25564

>  <PCAT_CMPD_ID> (1,512)
WAY-311030

>  <CNC_ID> (1,512)
359314772

>  <transfer_container_id> (1,512)
PTN000000065

>  <COMPOUND_NUMBER> (1,512)
WAY-311030

>  <LOCATION_CODE> (1,512)
PTNCS

>  <AMOUNT_CURRENT> (1,512)
33.9

$$$$
WAY-242725
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,513)
1514

>  <Formula> (1,513)
C21H26N2O4

>  <MolWeight> (1,513)
370.44214

>  <PCAT_CMPD_ID> (1,513)
WAY-242725

>  <CNC_ID> (1,513)
359313996

>  <transfer_container_id> (1,513)
PTN000000065

>  <COMPOUND_NUMBER> (1,513)
WAY-242725

>  <LOCATION_CODE> (1,513)
PTNCS

>  <AMOUNT_CURRENT> (1,513)
33.1

$$$$
WAY-312168
csChFnd80/10101909502D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,514)
1515

>  <Formula> (1,514)
C26H30N6O2

>  <MolWeight> (1,514)
458.5554

>  <PCAT_CMPD_ID> (1,514)
WAY-312168

>  <CNC_ID> (1,514)
359315908

>  <transfer_container_id> (1,514)
PTN000000065

>  <COMPOUND_NUMBER> (1,514)
WAY-312168

>  <LOCATION_CODE> (1,514)
PTNCS

>  <AMOUNT_CURRENT> (1,514)
33.3

$$$$
WAY-310510
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,515)
1516

>  <Formula> (1,515)
C14H8BrNO3

>  <MolWeight> (1,515)
318.12222

>  <PCAT_CMPD_ID> (1,515)
WAY-310510

>  <CNC_ID> (1,515)
359314251

>  <transfer_container_id> (1,515)
PTN000000065

>  <COMPOUND_NUMBER> (1,515)
WAY-310510

>  <LOCATION_CODE> (1,515)
PTNCS

>  <AMOUNT_CURRENT> (1,515)
33.5

$$$$
WAY-344394
csChFnd80/10101909502D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 30 32  2  0  0  0  0
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M  END
>  <Mol_ID> (1,516)
1517

>  <Formula> (1,516)
C23H27FN2O5S

>  <MolWeight> (1,516)
462.5342832

>  <PCAT_CMPD_ID> (1,516)
WAY-344394

>  <CNC_ID> (1,516)
359319729

>  <transfer_container_id> (1,516)
PTN000000065

>  <COMPOUND_NUMBER> (1,516)
WAY-344394

>  <LOCATION_CODE> (1,516)
PTNCS

>  <AMOUNT_CURRENT> (1,516)
32.6

$$$$
WAY-311035
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,517)
1518

>  <Formula> (1,517)
C19H16ClN3O3S

>  <MolWeight> (1,517)
401.86664

>  <PCAT_CMPD_ID> (1,517)
WAY-311035

>  <CNC_ID> (1,517)
359314777

>  <transfer_container_id> (1,517)
PTN000000065

>  <COMPOUND_NUMBER> (1,517)
WAY-311035

>  <LOCATION_CODE> (1,517)
PTNCS

>  <AMOUNT_CURRENT> (1,517)
32.1

$$$$
WAY-344757
csChFnd80/10101909502D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,518)
1519

>  <Formula> (1,518)
C23H19N3O3

>  <MolWeight> (1,518)
385.41526

>  <PCAT_CMPD_ID> (1,518)
WAY-344757

>  <CNC_ID> (1,518)
359320068

>  <transfer_container_id> (1,518)
PTN000000065

>  <COMPOUND_NUMBER> (1,518)
WAY-344757

>  <LOCATION_CODE> (1,518)
PTNCS

>  <AMOUNT_CURRENT> (1,518)
32.8

$$$$
WAY-344712
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,519)
1520

>  <Formula> (1,519)
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399.8178296

>  <PCAT_CMPD_ID> (1,519)
WAY-344712

>  <CNC_ID> (1,519)
359320024

>  <transfer_container_id> (1,519)
PTN000000065

>  <COMPOUND_NUMBER> (1,519)
WAY-344712

>  <LOCATION_CODE> (1,519)
PTNCS

>  <AMOUNT_CURRENT> (1,519)
32.1

$$$$
WAY-344806
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,520)
1521

>  <Formula> (1,520)
C19H12Cl2N2O3

>  <MolWeight> (1,520)
387.21618

>  <PCAT_CMPD_ID> (1,520)
WAY-344806

>  <CNC_ID> (1,520)
359320117

>  <transfer_container_id> (1,520)
PTN000000065

>  <COMPOUND_NUMBER> (1,520)
WAY-344806

>  <LOCATION_CODE> (1,520)
PTNCS

>  <AMOUNT_CURRENT> (1,520)
32.7

$$$$
WAY-312318
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,521)
1522

>  <Formula> (1,521)
C8H8N2S2

>  <MolWeight> (1,521)
196.29252

>  <PCAT_CMPD_ID> (1,521)
WAY-312318

>  <CNC_ID> (1,521)
359316058

>  <transfer_container_id> (1,521)
PTN000000065

>  <COMPOUND_NUMBER> (1,521)
WAY-312318

>  <LOCATION_CODE> (1,521)
PTNCS

>  <AMOUNT_CURRENT> (1,521)
33.5

$$$$
WAY-268041
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,522)
1523

>  <Formula> (1,522)
C15H17NO4

>  <MolWeight> (1,522)
275.29978

>  <PCAT_CMPD_ID> (1,522)
WAY-268041

>  <CNC_ID> (1,522)
359314016

>  <transfer_container_id> (1,522)
PTN000000065

>  <COMPOUND_NUMBER> (1,522)
WAY-268041

>  <LOCATION_CODE> (1,522)
PTNCS

>  <AMOUNT_CURRENT> (1,522)
33.7

$$$$
WAY-216292-A
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,523)
1524

>  <Formula> (1,523)
C12H14N2

>  <MolWeight> (1,523)
186.25296

>  <PCAT_CMPD_ID> (1,523)
WAY-216292-A

>  <CNC_ID> (1,523)
359313787

>  <transfer_container_id> (1,523)
PTN000000065

>  <COMPOUND_NUMBER> (1,523)
WAY-216292-A

>  <LOCATION_CODE> (1,523)
PTNCS

>  <AMOUNT_CURRENT> (1,523)
33.6

$$$$
WAY-244302
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,524)
1525

>  <Formula> (1,524)
C11H16O4

>  <MolWeight> (1,524)
212.24234

>  <PCAT_CMPD_ID> (1,524)
WAY-244302

>  <CNC_ID> (1,524)
359314004

>  <transfer_container_id> (1,524)
PTN000000065

>  <COMPOUND_NUMBER> (1,524)
WAY-244302

>  <LOCATION_CODE> (1,524)
PTNCS

>  <AMOUNT_CURRENT> (1,524)
33.2

$$$$
WAY-340149
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,525)
1526

>  <Formula> (1,525)
C10H7N3O2S

>  <MolWeight> (1,525)
233.24648

>  <PCAT_CMPD_ID> (1,525)
WAY-340149

>  <CNC_ID> (1,525)
359318890

>  <transfer_container_id> (1,525)
PTN000000065

>  <COMPOUND_NUMBER> (1,525)
WAY-340149

>  <LOCATION_CODE> (1,525)
PTNCS

>  <AMOUNT_CURRENT> (1,525)
32.3

$$$$
WAY-115509
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,526)
1527

>  <Formula> (1,526)
C18H11ClN2O2S

>  <MolWeight> (1,526)
354.81014

>  <PCAT_CMPD_ID> (1,526)
WAY-115509

>  <CNC_ID> (1,526)
359313704

>  <transfer_container_id> (1,526)
PTN000000065

>  <COMPOUND_NUMBER> (1,526)
WAY-115509

>  <LOCATION_CODE> (1,526)
PTNCS

>  <AMOUNT_CURRENT> (1,526)
33.2

$$$$
WAY-345368
csChFnd80/10101909502D

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 10  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,527)
1528

>  <Formula> (1,527)
C20H17N3O4S

>  <MolWeight> (1,527)
395.43168

>  <PCAT_CMPD_ID> (1,527)
WAY-345368

>  <CNC_ID> (1,527)
359320639

>  <transfer_container_id> (1,527)
PTN000000065

>  <COMPOUND_NUMBER> (1,527)
WAY-345368

>  <LOCATION_CODE> (1,527)
PTNCS

>  <AMOUNT_CURRENT> (1,527)
26.6

$$$$
WAY-311721
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,528)
1529

>  <Formula> (1,528)
C17H14ClNOS

>  <MolWeight> (1,528)
315.81716

>  <PCAT_CMPD_ID> (1,528)
WAY-311721

>  <CNC_ID> (1,528)
359315462

>  <transfer_container_id> (1,528)
PTN000000065

>  <COMPOUND_NUMBER> (1,528)
WAY-311721

>  <LOCATION_CODE> (1,528)
PTNCS

>  <AMOUNT_CURRENT> (1,528)
33.7

$$$$
WAY-344094
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,529)
1530

>  <Formula> (1,529)
C23H22ClNO6S

>  <MolWeight> (1,529)
475.94188

>  <PCAT_CMPD_ID> (1,529)
WAY-344094

>  <CNC_ID> (1,529)
359319430

>  <transfer_container_id> (1,529)
PTN000000065

>  <COMPOUND_NUMBER> (1,529)
WAY-344094

>  <LOCATION_CODE> (1,529)
PTNCS

>  <AMOUNT_CURRENT> (1,529)
32.4

$$$$
WAY-343785
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,530)
1531

>  <Formula> (1,530)
C17H13F2N3O3

>  <MolWeight> (1,530)
345.3002264

>  <PCAT_CMPD_ID> (1,530)
WAY-343785

>  <CNC_ID> (1,530)
359319126

>  <transfer_container_id> (1,530)
PTN000000065

>  <COMPOUND_NUMBER> (1,530)
WAY-343785

>  <LOCATION_CODE> (1,530)
PTNCS

>  <AMOUNT_CURRENT> (1,530)
29.01

$$$$
WAY-344004
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,531)
1532

>  <Formula> (1,531)
C22H26N4O4S

>  <MolWeight> (1,531)
442.53124

>  <PCAT_CMPD_ID> (1,531)
WAY-344004

>  <CNC_ID> (1,531)
359319342

>  <transfer_container_id> (1,531)
PTN000000065

>  <COMPOUND_NUMBER> (1,531)
WAY-344004

>  <LOCATION_CODE> (1,531)
PTNCS

>  <AMOUNT_CURRENT> (1,531)
32.4

$$$$
WAY-310724
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,532)
1533

>  <Formula> (1,532)
C20H15NO2S

>  <MolWeight> (1,532)
333.4036

>  <PCAT_CMPD_ID> (1,532)
WAY-310724

>  <CNC_ID> (1,532)
359314465

>  <transfer_container_id> (1,532)
PTN000000065

>  <COMPOUND_NUMBER> (1,532)
WAY-310724

>  <LOCATION_CODE> (1,532)
PTNCS

>  <AMOUNT_CURRENT> (1,532)
33.8

$$$$
CL-240804
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,533)
1534

>  <Formula> (1,533)
C13H19N

>  <MolWeight> (1,533)
189.29666

>  <PCAT_CMPD_ID> (1,533)
CL-240804

>  <CNC_ID> (1,533)
359313565

>  <transfer_container_id> (1,533)
PTN000000065

>  <COMPOUND_NUMBER> (1,533)
CL-240804

>  <LOCATION_CODE> (1,533)
PTNCS

>  <AMOUNT_CURRENT> (1,533)
33.4

$$$$
WAY-234080-A
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,534)
1535

>  <Formula> (1,534)
C19H23NO

>  <MolWeight> (1,534)
281.39202

>  <PCAT_CMPD_ID> (1,534)
WAY-234080-A

>  <CNC_ID> (1,534)
359313922

>  <transfer_container_id> (1,534)
PTN000000065

>  <COMPOUND_NUMBER> (1,534)
WAY-234080-A

>  <LOCATION_CODE> (1,534)
PTNCS

>  <AMOUNT_CURRENT> (1,534)
33.8

$$$$
WAY-344804
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,535)
1536

>  <Formula> (1,535)
C17H13Cl2F2NO3

>  <MolWeight> (1,535)
388.1928264

>  <PCAT_CMPD_ID> (1,535)
WAY-344804

>  <CNC_ID> (1,535)
359320115

>  <transfer_container_id> (1,535)
PTN000000065

>  <COMPOUND_NUMBER> (1,535)
WAY-344804

>  <LOCATION_CODE> (1,535)
PTNCS

>  <AMOUNT_CURRENT> (1,535)
32

$$$$
WAY-311981
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,536)
1537

>  <Formula> (1,536)
C14H19ClN2O3S

>  <MolWeight> (1,536)
330.83026

>  <PCAT_CMPD_ID> (1,536)
WAY-311981

>  <CNC_ID> (1,536)
359315722

>  <transfer_container_id> (1,536)
PTN000000065

>  <COMPOUND_NUMBER> (1,536)
WAY-311981

>  <LOCATION_CODE> (1,536)
PTNCS

>  <AMOUNT_CURRENT> (1,536)
33.1

$$$$
WAY-345379
csChFnd80/10101909502D

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>  <Mol_ID> (1,537)
1538

>  <Formula> (1,537)
C22H17ClN2O2

>  <MolWeight> (1,537)
376.83558

>  <PCAT_CMPD_ID> (1,537)
WAY-345379

>  <CNC_ID> (1,537)
359320649

>  <transfer_container_id> (1,537)
PTN000000065

>  <COMPOUND_NUMBER> (1,537)
WAY-345379

>  <LOCATION_CODE> (1,537)
PTNCS

>  <AMOUNT_CURRENT> (1,537)
32.2

$$$$
WAY-340014
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,538)
1539

>  <Formula> (1,538)
C16H18N2O

>  <MolWeight> (1,538)
254.32692

>  <PCAT_CMPD_ID> (1,538)
WAY-340014

>  <CNC_ID> (1,538)
359318866

>  <transfer_container_id> (1,538)
PTN000000065

>  <COMPOUND_NUMBER> (1,538)
WAY-340014

>  <LOCATION_CODE> (1,538)
PTNCS

>  <AMOUNT_CURRENT> (1,538)
32.4

$$$$
WAY-312202-A
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,539)
1540

>  <Formula> (1,539)
C18H23N3

>  <MolWeight> (1,539)
281.39532

>  <PCAT_CMPD_ID> (1,539)
WAY-312202-A

>  <CNC_ID> (1,539)
359315942

>  <transfer_container_id> (1,539)
PTN000000065

>  <COMPOUND_NUMBER> (1,539)
WAY-312202-A

>  <LOCATION_CODE> (1,539)
PTNCS

>  <AMOUNT_CURRENT> (1,539)
33.5

$$$$
WAY-310299
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,540)
1541

>  <Formula> (1,540)
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>  <MolWeight> (1,540)
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>  <CNC_ID> (1,540)
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>  <transfer_container_id> (1,540)
PTN000000065

>  <COMPOUND_NUMBER> (1,540)
WAY-310299

>  <LOCATION_CODE> (1,540)
PTNCS

>  <AMOUNT_CURRENT> (1,540)
33.2

$$$$
WAY-310560
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,541)
1542

>  <Formula> (1,541)
C15H21NO5

>  <MolWeight> (1,541)
295.33094

>  <PCAT_CMPD_ID> (1,541)
WAY-310560

>  <CNC_ID> (1,541)
359314301

>  <transfer_container_id> (1,541)
PTN000000065

>  <COMPOUND_NUMBER> (1,541)
WAY-310560

>  <LOCATION_CODE> (1,541)
PTNCS

>  <AMOUNT_CURRENT> (1,541)
33.4

$$$$
WAY-311262
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,542)
1543

>  <Formula> (1,542)
C13H13N3O3S

>  <MolWeight> (1,542)
291.32562

>  <PCAT_CMPD_ID> (1,542)
WAY-311262

>  <CNC_ID> (1,542)
359315003

>  <transfer_container_id> (1,542)
PTN000000065

>  <COMPOUND_NUMBER> (1,542)
WAY-311262

>  <LOCATION_CODE> (1,542)
PTNCS

>  <AMOUNT_CURRENT> (1,542)
33.8

$$$$
WAY-345382
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,543)
1544

>  <Formula> (1,543)
C18H20BrNO2

>  <MolWeight> (1,543)
362.2609

>  <PCAT_CMPD_ID> (1,543)
WAY-345382

>  <CNC_ID> (1,543)
359320652

>  <transfer_container_id> (1,543)
PTN000000065

>  <COMPOUND_NUMBER> (1,543)
WAY-345382

>  <LOCATION_CODE> (1,543)
PTNCS

>  <AMOUNT_CURRENT> (1,543)
32.6

$$$$
WAY-310719
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,544)
1545

>  <Formula> (1,544)
C7H12N4O2

>  <MolWeight> (1,544)
184.19578

>  <PCAT_CMPD_ID> (1,544)
WAY-310719

>  <CNC_ID> (1,544)
359314460

>  <transfer_container_id> (1,544)
PTN000000065

>  <COMPOUND_NUMBER> (1,544)
WAY-310719

>  <LOCATION_CODE> (1,544)
PTNCS

>  <AMOUNT_CURRENT> (1,544)
33.3

$$$$
WAY-310411
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 17 21  2  0  0  0  0
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M  END
>  <Mol_ID> (1,545)
1546

>  <Formula> (1,545)
C18H17N3O3

>  <MolWeight> (1,545)
323.34588

>  <PCAT_CMPD_ID> (1,545)
WAY-310411

>  <CNC_ID> (1,545)
359314152

>  <transfer_container_id> (1,545)
PTN000000065

>  <COMPOUND_NUMBER> (1,545)
WAY-310411

>  <LOCATION_CODE> (1,545)
PTNCS

>  <AMOUNT_CURRENT> (1,545)
33.3

$$$$
WAY-343985
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,546)
1547

>  <Formula> (1,546)
C22H23NO4

>  <MolWeight> (1,546)
365.42232

>  <PCAT_CMPD_ID> (1,546)
WAY-343985

>  <CNC_ID> (1,546)
359319323

>  <transfer_container_id> (1,546)
PTN000000065

>  <COMPOUND_NUMBER> (1,546)
WAY-343985

>  <LOCATION_CODE> (1,546)
PTNCS

>  <AMOUNT_CURRENT> (1,546)
32.5

$$$$
WAY-345404
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (1,547)
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WAY-345404

>  <CNC_ID> (1,547)
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>  <transfer_container_id> (1,547)
PTN000000065

>  <COMPOUND_NUMBER> (1,547)
WAY-345404

>  <LOCATION_CODE> (1,547)
PTNCS

>  <AMOUNT_CURRENT> (1,547)
32.2

$$$$
WAY-240491
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,548)
1549

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258.27256

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WAY-240491

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PTN000000065

>  <COMPOUND_NUMBER> (1,548)
WAY-240491

>  <LOCATION_CODE> (1,548)
PTNCS

>  <AMOUNT_CURRENT> (1,548)
33.8

$$$$
WAY-311576
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,549)
1550

>  <Formula> (1,549)
C20H22N2O5

>  <MolWeight> (1,549)
370.39908

>  <PCAT_CMPD_ID> (1,549)
WAY-311576

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>  <transfer_container_id> (1,549)
PTN000000065

>  <COMPOUND_NUMBER> (1,549)
WAY-311576

>  <LOCATION_CODE> (1,549)
PTNCS

>  <AMOUNT_CURRENT> (1,549)
33.8

$$$$
WAY-310736
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,550)
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>  <Formula> (1,550)
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>  <MolWeight> (1,550)
230.2823

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WAY-310736

>  <CNC_ID> (1,550)
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>  <transfer_container_id> (1,550)
PTN000000065

>  <COMPOUND_NUMBER> (1,550)
WAY-310736

>  <LOCATION_CODE> (1,550)
PTNCS

>  <AMOUNT_CURRENT> (1,550)
33.7

$$$$
WAY-311650
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,551)
1552

>  <Formula> (1,551)
C21H28N2O4S2

>  <MolWeight> (1,551)
436.58802

>  <PCAT_CMPD_ID> (1,551)
WAY-311650

>  <CNC_ID> (1,551)
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>  <transfer_container_id> (1,551)
PTN000000065

>  <COMPOUND_NUMBER> (1,551)
WAY-311650

>  <LOCATION_CODE> (1,551)
PTNCS

>  <AMOUNT_CURRENT> (1,551)
33

$$$$
WAY-344868
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,552)
1553

>  <Formula> (1,552)
C16H19Cl2NO3

>  <MolWeight> (1,552)
344.23296

>  <PCAT_CMPD_ID> (1,552)
WAY-344868

>  <CNC_ID> (1,552)
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>  <transfer_container_id> (1,552)
PTN000000065

>  <COMPOUND_NUMBER> (1,552)
WAY-344868

>  <LOCATION_CODE> (1,552)
PTNCS

>  <AMOUNT_CURRENT> (1,552)
32.1

$$$$
WAY-310770
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 14 19  1  0  0  0  0
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  6  7  1  0  0  0  0
  9 10  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,553)
1554

>  <Formula> (1,553)
C17H17NO3

>  <MolWeight> (1,553)
283.32178

>  <PCAT_CMPD_ID> (1,553)
WAY-310770

>  <CNC_ID> (1,553)
359314511

>  <transfer_container_id> (1,553)
PTN000000065

>  <COMPOUND_NUMBER> (1,553)
WAY-310770

>  <LOCATION_CODE> (1,553)
PTNCS

>  <AMOUNT_CURRENT> (1,553)
33.7

$$$$
WAY-343801
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  0  0  0  0
 13  5  2  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,554)
1555

>  <Formula> (1,554)
C23H24N2O3S

>  <MolWeight> (1,554)
408.51326

>  <PCAT_CMPD_ID> (1,554)
WAY-343801

>  <CNC_ID> (1,554)
359319142

>  <transfer_container_id> (1,554)
PTN000000065

>  <COMPOUND_NUMBER> (1,554)
WAY-343801

>  <LOCATION_CODE> (1,554)
PTNCS

>  <AMOUNT_CURRENT> (1,554)
32.6

$$$$
WL-9416
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,555)
1556

>  <Formula> (1,555)
C9H7ClN2O

>  <MolWeight> (1,555)
194.61768

>  <PCAT_CMPD_ID> (1,555)
WL-9416

>  <CNC_ID> (1,555)
359326686

>  <transfer_container_id> (1,555)
PTN000000065

>  <COMPOUND_NUMBER> (1,555)
WL-9416

>  <LOCATION_CODE> (1,555)
PTNCS

>  <AMOUNT_CURRENT> (1,555)
33.8

$$$$
WAY-312170
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,556)
1557

>  <Formula> (1,556)
C13H14N2

>  <MolWeight> (1,556)
198.26366

>  <PCAT_CMPD_ID> (1,556)
WAY-312170

>  <CNC_ID> (1,556)
359315910

>  <transfer_container_id> (1,556)
PTN000000065

>  <COMPOUND_NUMBER> (1,556)
WAY-312170

>  <LOCATION_CODE> (1,556)
PTNCS

>  <AMOUNT_CURRENT> (1,556)
33.6

$$$$
WAY-311949
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,557)
1558

>  <Formula> (1,557)
C10H13NO2

>  <MolWeight> (1,557)
179.21572

>  <PCAT_CMPD_ID> (1,557)
WAY-311949

>  <CNC_ID> (1,557)
359315690

>  <transfer_container_id> (1,557)
PTN000000065

>  <COMPOUND_NUMBER> (1,557)
WAY-311949

>  <LOCATION_CODE> (1,557)
PTNCS

>  <AMOUNT_CURRENT> (1,557)
33.4

$$$$
WAY-311076
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,558)
1559

>  <Formula> (1,558)
C18H9Cl2NO2

>  <MolWeight> (1,558)
342.17556

>  <PCAT_CMPD_ID> (1,558)
WAY-311076

>  <CNC_ID> (1,558)
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>  <transfer_container_id> (1,558)
PTN000000065

>  <COMPOUND_NUMBER> (1,558)
WAY-311076

>  <LOCATION_CODE> (1,558)
PTNCS

>  <AMOUNT_CURRENT> (1,558)
33.5

$$$$
WAY-344718
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,559)
1560

>  <Formula> (1,559)
C17H23ClN2O3

>  <MolWeight> (1,559)
338.82912

>  <PCAT_CMPD_ID> (1,559)
WAY-344718

>  <CNC_ID> (1,559)
359320030

>  <transfer_container_id> (1,559)
PTN000000065

>  <COMPOUND_NUMBER> (1,559)
WAY-344718

>  <LOCATION_CODE> (1,559)
PTNCS

>  <AMOUNT_CURRENT> (1,559)
32.1

$$$$
WAY-310598
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,560)
1561

>  <Formula> (1,560)
C20H21N3

>  <MolWeight> (1,560)
303.40084

>  <PCAT_CMPD_ID> (1,560)
WAY-310598

>  <CNC_ID> (1,560)
359314339

>  <transfer_container_id> (1,560)
PTN000000065

>  <COMPOUND_NUMBER> (1,560)
WAY-310598

>  <LOCATION_CODE> (1,560)
PTNCS

>  <AMOUNT_CURRENT> (1,560)
33.4

$$$$
WAY-345362
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,561)
1562

>  <Formula> (1,561)
C16H22N2O2

>  <MolWeight> (1,561)
274.35808

>  <PCAT_CMPD_ID> (1,561)
WAY-345362

>  <CNC_ID> (1,561)
359320633

>  <transfer_container_id> (1,561)
PTN000000065

>  <COMPOUND_NUMBER> (1,561)
WAY-345362

>  <LOCATION_CODE> (1,561)
PTNCS

>  <AMOUNT_CURRENT> (1,561)
32.3

$$$$
WAY-340152
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 16  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,562)
1563

>  <Formula> (1,562)
C21H27NO3

>  <MolWeight> (1,562)
341.44398

>  <PCAT_CMPD_ID> (1,562)
WAY-340152

>  <CNC_ID> (1,562)
359318893

>  <transfer_container_id> (1,562)
PTN000000065

>  <COMPOUND_NUMBER> (1,562)
WAY-340152

>  <LOCATION_CODE> (1,562)
PTNCS

>  <AMOUNT_CURRENT> (1,562)
32.6

$$$$
WAY-345546
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,563)
1564

>  <Formula> (1,563)
C22H25ClN2O4

>  <MolWeight> (1,563)
416.8979

>  <PCAT_CMPD_ID> (1,563)
WAY-345546

>  <CNC_ID> (1,563)
359320808

>  <transfer_container_id> (1,563)
PTN000000065

>  <COMPOUND_NUMBER> (1,563)
WAY-345546

>  <LOCATION_CODE> (1,563)
PTNCS

>  <AMOUNT_CURRENT> (1,563)
28.9

$$$$
WAY-343828
csChFnd80/10101909502D

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 16  7  1  0  0  0  0
 17  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,564)
1565

>  <Formula> (1,564)
C20H19N3O2

>  <MolWeight> (1,564)
333.38376

>  <PCAT_CMPD_ID> (1,564)
WAY-343828

>  <CNC_ID> (1,564)
359319169

>  <transfer_container_id> (1,564)
PTN000000065

>  <COMPOUND_NUMBER> (1,564)
WAY-343828

>  <LOCATION_CODE> (1,564)
PTNCS

>  <AMOUNT_CURRENT> (1,564)
31.2

$$$$
WAY-344728
csChFnd80/10101909502D

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 23  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,565)
1566

>  <Formula> (1,565)
C17H17FN2O3

>  <MolWeight> (1,565)
316.3268832

>  <PCAT_CMPD_ID> (1,565)
WAY-344728

>  <CNC_ID> (1,565)
359320040

>  <transfer_container_id> (1,565)
PTN000000065

>  <COMPOUND_NUMBER> (1,565)
WAY-344728

>  <LOCATION_CODE> (1,565)
PTNCS

>  <AMOUNT_CURRENT> (1,565)
28.9

$$$$
WAY-344483
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,566)
1567

>  <Formula> (1,566)
C20H20F3N3O2S

>  <MolWeight> (1,566)
423.4519096

>  <PCAT_CMPD_ID> (1,566)
WAY-344483

>  <CNC_ID> (1,566)
359319816

>  <transfer_container_id> (1,566)
PTN000000065

>  <COMPOUND_NUMBER> (1,566)
WAY-344483

>  <LOCATION_CODE> (1,566)
PTNCS

>  <AMOUNT_CURRENT> (1,566)
33

$$$$
WAY-345423
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 18 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,567)
1568

>  <Formula> (1,567)
C15H17N3O3

>  <MolWeight> (1,567)
287.31378

>  <PCAT_CMPD_ID> (1,567)
WAY-345423

>  <CNC_ID> (1,567)
359320693

>  <transfer_container_id> (1,567)
PTN000000065

>  <COMPOUND_NUMBER> (1,567)
WAY-345423

>  <LOCATION_CODE> (1,567)
PTNCS

>  <AMOUNT_CURRENT> (1,567)
32.3

$$$$
WAY-345044
csChFnd80/10101909502D

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  2  1  1  0  0  0  0
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  9  7  1  0  0  0  0
 10 12  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  1  0  0  0  0
 13 20  1  0  0  0  0
 14  2  1  0  0  0  0
 15  2  1  0  0  0  0
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 17 16  1  0  0  0  0
 18  3  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
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 23 10  1  0  0  0  0
 24 17  2  0  0  0  0
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 13 19  1  0  0  0  0
  9 22  2  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,568)
1569

>  <Formula> (1,568)
C20H25N3O4S

>  <MolWeight> (1,568)
403.4952

>  <PCAT_CMPD_ID> (1,568)
WAY-345044

>  <CNC_ID> (1,568)
359320354

>  <transfer_container_id> (1,568)
PTN000000065

>  <COMPOUND_NUMBER> (1,568)
WAY-345044

>  <LOCATION_CODE> (1,568)
PTNCS

>  <AMOUNT_CURRENT> (1,568)
32.4

$$$$
WAY-345077
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  2  0  0  0  0
 14  4  2  0  0  0  0
 15  9  2  0  0  0  0
 16 26  1  0  0  0  0
 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20  9  1  0  0  0  0
 21 17  2  0  0  0  0
 22 12  1  0  0  0  0
 23  5  2  0  0  0  0
 24  6  2  0  0  0  0
 25 18  1  0  0  0  0
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 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 16 25  1  0  0  0  0
 21 13  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,569)
1570

>  <Formula> (1,569)
C19H20N2O7S

>  <MolWeight> (1,569)
420.4363

>  <PCAT_CMPD_ID> (1,569)
WAY-345077

>  <CNC_ID> (1,569)
359320387

>  <transfer_container_id> (1,569)
PTN000000065

>  <COMPOUND_NUMBER> (1,569)
WAY-345077

>  <LOCATION_CODE> (1,569)
PTNCS

>  <AMOUNT_CURRENT> (1,569)
29.8

$$$$
WAY-312358-A
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7 10  2  0  0  0  0
 13 16  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,570)
1571

>  <Formula> (1,570)
C16H17N3O3S

>  <MolWeight> (1,570)
331.38948

>  <PCAT_CMPD_ID> (1,570)
WAY-312358-A

>  <CNC_ID> (1,570)
359316098

>  <transfer_container_id> (1,570)
PTN000000065

>  <COMPOUND_NUMBER> (1,570)
WAY-312358-A

>  <LOCATION_CODE> (1,570)
PTNCS

>  <AMOUNT_CURRENT> (1,570)
33.6

$$$$
WAY-344362
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  2  0  0  0  0
 12  8  2  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 20  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
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 20 18  1  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
  6  3  2  0  0  0  0
 19 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,571)
1572

>  <Formula> (1,571)
C15H14Br2N2O2S

>  <MolWeight> (1,571)
446.15686

>  <PCAT_CMPD_ID> (1,571)
WAY-344362

>  <CNC_ID> (1,571)
359319697

>  <transfer_container_id> (1,571)
PTN000000065

>  <COMPOUND_NUMBER> (1,571)
WAY-344362

>  <LOCATION_CODE> (1,571)
PTNCS

>  <AMOUNT_CURRENT> (1,571)
32.9

$$$$
WAY-345186
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,572)
1573

>  <Formula> (1,572)
C20H14F3NO4

>  <MolWeight> (1,572)
389.3246696

>  <PCAT_CMPD_ID> (1,572)
WAY-345186

>  <CNC_ID> (1,572)
359320489

>  <transfer_container_id> (1,572)
PTN000000065

>  <COMPOUND_NUMBER> (1,572)
WAY-345186

>  <LOCATION_CODE> (1,572)
PTNCS

>  <AMOUNT_CURRENT> (1,572)
32.2

$$$$
WAY-344471
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 21  1  0  0  0  0
 19  6  1  0  0  0  0
 20  7  1  0  0  0  0
 21 13  2  0  0  0  0
 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24 25  1  0  0  0  0
 25 19  2  0  0  0  0
  7  4  1  0  0  0  0
 24 20  2  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,573)
1574

>  <Formula> (1,573)
C19H15NO5

>  <MolWeight> (1,573)
337.3261

>  <PCAT_CMPD_ID> (1,573)
WAY-344471

>  <CNC_ID> (1,573)
359319805

>  <transfer_container_id> (1,573)
PTN000000065

>  <COMPOUND_NUMBER> (1,573)
WAY-344471

>  <LOCATION_CODE> (1,573)
PTNCS

>  <AMOUNT_CURRENT> (1,573)
32.9

$$$$
WAY-343802
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  8 15  1  0  0  0  0
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 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  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  2  0  0  0  0
 18 10  1  0  0  0  0
 19  9  2  0  0  0  0
 20 17  1  0  0  0  0
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 23 18  1  0  0  0  0
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 25 18  2  0  0  0  0
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 27 26  2  0  0  0  0
  5  9  1  0  0  0  0
  8 16  1  0  0  0  0
 21 19  1  0  0  0  0
 27 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,574)
1575

>  <Formula> (1,574)
C20H17BrN2O4

>  <MolWeight> (1,574)
429.26398

>  <PCAT_CMPD_ID> (1,574)
WAY-343802

>  <CNC_ID> (1,574)
359319143

>  <transfer_container_id> (1,574)
PTN000000065

>  <COMPOUND_NUMBER> (1,574)
WAY-343802

>  <LOCATION_CODE> (1,574)
PTNCS

>  <AMOUNT_CURRENT> (1,574)
32.9

$$$$
WAY-345324
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 18  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14 11  1  0  0  0  0
 15  9  2  0  0  0  0
 16 10  2  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19 14  1  0  0  0  0
 20  5  2  0  0  0  0
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 24 25  2  0  0  0  0
 27 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,575)
1576

>  <Formula> (1,575)
C18H14BrN3O5

>  <MolWeight> (1,575)
432.22486

>  <PCAT_CMPD_ID> (1,575)
WAY-345324

>  <CNC_ID> (1,575)
359320596

>  <transfer_container_id> (1,575)
PTN000000065

>  <COMPOUND_NUMBER> (1,575)
WAY-345324

>  <LOCATION_CODE> (1,575)
PTNCS

>  <AMOUNT_CURRENT> (1,575)
27.2

$$$$
WAY-344838
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
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 29 20  1  0  0  0  0
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M  END
>  <Mol_ID> (1,576)
1577

>  <Formula> (1,576)
C19H23F3N4O5

>  <MolWeight> (1,576)
444.4049296

>  <PCAT_CMPD_ID> (1,576)
WAY-344838

>  <CNC_ID> (1,576)
359320149

>  <transfer_container_id> (1,576)
PTN000000065

>  <COMPOUND_NUMBER> (1,576)
WAY-344838

>  <LOCATION_CODE> (1,576)
PTNCS

>  <AMOUNT_CURRENT> (1,576)
32

$$$$
WAY-344467
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,577)
1578

>  <Formula> (1,577)
C25H18F3NO4

>  <MolWeight> (1,577)
453.4099296

>  <PCAT_CMPD_ID> (1,577)
WAY-344467

>  <CNC_ID> (1,577)
359319801

>  <transfer_container_id> (1,577)
PTN000000065

>  <COMPOUND_NUMBER> (1,577)
WAY-344467

>  <LOCATION_CODE> (1,577)
PTNCS

>  <AMOUNT_CURRENT> (1,577)
32.7

$$$$
CL-423991
csChFnd80/10101909502D

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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (1,578)
1579

>  <Formula> (1,578)
C18H27N5O

>  <MolWeight> (1,578)
329.43988

>  <PCAT_CMPD_ID> (1,578)
CL-423991

>  <CNC_ID> (1,578)
359313626

>  <transfer_container_id> (1,578)
PTN000000065

>  <COMPOUND_NUMBER> (1,578)
CL-423991

>  <LOCATION_CODE> (1,578)
PTNCS

>  <AMOUNT_CURRENT> (1,578)
33.5

$$$$
WAY-312107
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,579)
1580

>  <Formula> (1,579)
C20H21ClN2O3

>  <MolWeight> (1,579)
372.84534

>  <PCAT_CMPD_ID> (1,579)
WAY-312107

>  <CNC_ID> (1,579)
359315847

>  <transfer_container_id> (1,579)
PTN000000065

>  <COMPOUND_NUMBER> (1,579)
WAY-312107

>  <LOCATION_CODE> (1,579)
PTNCS

>  <AMOUNT_CURRENT> (1,579)
33.5

$$$$
WAY-345589
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,580)
1581

>  <Formula> (1,580)
C20H20ClNO6

>  <MolWeight> (1,580)
405.8289

>  <PCAT_CMPD_ID> (1,580)
WAY-345589

>  <CNC_ID> (1,580)
359320846

>  <transfer_container_id> (1,580)
PTN000000065

>  <COMPOUND_NUMBER> (1,580)
WAY-345589

>  <LOCATION_CODE> (1,580)
PTNCS

>  <AMOUNT_CURRENT> (1,580)
32.7

$$$$
WAY-345373
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,581)
1582

>  <Formula> (1,581)
C19H15Cl2N3O3

>  <MolWeight> (1,581)
404.2467

>  <PCAT_CMPD_ID> (1,581)
WAY-345373

>  <CNC_ID> (1,581)
359320643

>  <transfer_container_id> (1,581)
PTN000000065

>  <COMPOUND_NUMBER> (1,581)
WAY-345373

>  <LOCATION_CODE> (1,581)
PTNCS

>  <AMOUNT_CURRENT> (1,581)
32.8

$$$$
WAY-217467
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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  5  7  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,582)
1583

>  <Formula> (1,582)
C16H18N2O2S

>  <MolWeight> (1,582)
302.39132

>  <PCAT_CMPD_ID> (1,582)
WAY-217467

>  <CNC_ID> (1,582)
359313806

>  <transfer_container_id> (1,582)
PTN000000065

>  <COMPOUND_NUMBER> (1,582)
WAY-217467

>  <LOCATION_CODE> (1,582)
PTNCS

>  <AMOUNT_CURRENT> (1,582)
33.1

$$$$
WAY-113364
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
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 16  6  1  0  0  0  0
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 18 11  1  0  0  0  0
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 20  9  1  0  0  0  0
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  2  3  1  0  0  0  0
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 27 28  2  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,583)
1584

>  <Formula> (1,583)
C21H20N2O5

>  <MolWeight> (1,583)
380.3939

>  <PCAT_CMPD_ID> (1,583)
WAY-113364

>  <CNC_ID> (1,583)
359313686

>  <transfer_container_id> (1,583)
PTN000000065

>  <COMPOUND_NUMBER> (1,583)
WAY-113364

>  <LOCATION_CODE> (1,583)
PTNCS

>  <AMOUNT_CURRENT> (1,583)
33.2

$$$$
WAY-345211
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 12  9  1  0  0  0  0
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 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (1,584)
1585

>  <Formula> (1,584)
C23H24N2O2

>  <MolWeight> (1,584)
360.44886

>  <PCAT_CMPD_ID> (1,584)
WAY-345211

>  <CNC_ID> (1,584)
359320513

>  <transfer_container_id> (1,584)
PTN000000065

>  <COMPOUND_NUMBER> (1,584)
WAY-345211

>  <LOCATION_CODE> (1,584)
PTNCS

>  <AMOUNT_CURRENT> (1,584)
27.5

$$$$
WAY-312105
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,585)
1586

>  <Formula> (1,585)
C16H19NO3

>  <MolWeight> (1,585)
273.32696

>  <PCAT_CMPD_ID> (1,585)
WAY-312105

>  <CNC_ID> (1,585)
359315845

>  <transfer_container_id> (1,585)
PTN000000065

>  <COMPOUND_NUMBER> (1,585)
WAY-312105

>  <LOCATION_CODE> (1,585)
PTNCS

>  <AMOUNT_CURRENT> (1,585)
33.7

$$$$
WAY-340010
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
 12 15  1  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16  4  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  2  0  0  0  0
 19 18  1  0  0  0  0
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 21 19  2  0  0  0  0
  6  5  1  0  0  0  0
 20 21  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,586)
1587

>  <Formula> (1,586)
C18H20N2O

>  <MolWeight> (1,586)
280.3642

>  <PCAT_CMPD_ID> (1,586)
WAY-340010

>  <CNC_ID> (1,586)
359318862

>  <transfer_container_id> (1,586)
PTN000000065

>  <COMPOUND_NUMBER> (1,586)
WAY-340010

>  <LOCATION_CODE> (1,586)
PTNCS

>  <AMOUNT_CURRENT> (1,586)
32.5

$$$$
WAY-345381
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  8  1  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  9  2  0  0  0  0
 15  7  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19  5  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
 23  9  1  0  0  0  0
 24 14  1  0  0  0  0
 25 22  1  0  0  0  0
 26 23  2  0  0  0  0
 27 26  1  0  0  0  0
  4  5  1  0  0  0  0
 14 16  1  0  0  0  0
 21 22  1  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,587)
1588

>  <Formula> (1,587)
C21H21N3O3

>  <MolWeight> (1,587)
363.40974

>  <PCAT_CMPD_ID> (1,587)
WAY-345381

>  <CNC_ID> (1,587)
359320651

>  <transfer_container_id> (1,587)
PTN000000065

>  <COMPOUND_NUMBER> (1,587)
WAY-345381

>  <LOCATION_CODE> (1,587)
PTNCS

>  <AMOUNT_CURRENT> (1,587)
32.6

$$$$
WAY-344058
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
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 15  6  1  0  0  0  0
 16  2  1  0  0  0  0
 17  7  1  0  0  0  0
 18  3  2  0  0  0  0
 19  7  2  0  0  0  0
 20 15  2  0  0  0  0
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 22 17  1  0  0  0  0
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 25 20  1  0  0  0  0
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 27 26  1  0  0  0  0
 19 24  1  0  0  0  0
 13  6  2  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,588)
1589

>  <Formula> (1,588)
C23H21NO3

>  <MolWeight> (1,588)
359.41774

>  <PCAT_CMPD_ID> (1,588)
WAY-344058

>  <CNC_ID> (1,588)
359319395

>  <transfer_container_id> (1,588)
PTN000000065

>  <COMPOUND_NUMBER> (1,588)
WAY-344058

>  <LOCATION_CODE> (1,588)
PTNCS

>  <AMOUNT_CURRENT> (1,588)
32.1

$$$$
WAY-312063
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 18 21  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,589)
1590

>  <Formula> (1,589)
C22H26N2O4

>  <MolWeight> (1,589)
382.45284

>  <PCAT_CMPD_ID> (1,589)
WAY-312063

>  <CNC_ID> (1,589)
359315804

>  <transfer_container_id> (1,589)
PTN000000065

>  <COMPOUND_NUMBER> (1,589)
WAY-312063

>  <LOCATION_CODE> (1,589)
PTNCS

>  <AMOUNT_CURRENT> (1,589)
33.3

$$$$
WAY-345616
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  1  0  0  0  0
 13  2  2  0  0  0  0
 14  2  2  0  0  0  0
 15  7  2  0  0  0  0
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 17  5  2  0  0  0  0
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 21  2  1  0  0  0  0
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 27 23  2  0  0  0  0
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M  END
>  <Mol_ID> (1,590)
1591

>  <Formula> (1,590)
C20H21ClN2O4S

>  <MolWeight> (1,590)
420.90974

>  <PCAT_CMPD_ID> (1,590)
WAY-345616

>  <CNC_ID> (1,590)
359320873

>  <transfer_container_id> (1,590)
PTN000000065

>  <COMPOUND_NUMBER> (1,590)
WAY-345616

>  <LOCATION_CODE> (1,590)
PTNCS

>  <AMOUNT_CURRENT> (1,590)
32.9

$$$$
WAY-311912
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,591)
1592

>  <Formula> (1,591)
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>  <MolWeight> (1,591)
386.50774

>  <PCAT_CMPD_ID> (1,591)
WAY-311912

>  <CNC_ID> (1,591)
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>  <transfer_container_id> (1,591)
PTN000000065

>  <COMPOUND_NUMBER> (1,591)
WAY-311912

>  <LOCATION_CODE> (1,591)
PTNCS

>  <AMOUNT_CURRENT> (1,591)
33.3

$$$$
WAY-310673
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,592)
1593

>  <Formula> (1,592)
C13H12N2OS2

>  <MolWeight> (1,592)
276.37718

>  <PCAT_CMPD_ID> (1,592)
WAY-310673

>  <CNC_ID> (1,592)
359314414

>  <transfer_container_id> (1,592)
PTN000000065

>  <COMPOUND_NUMBER> (1,592)
WAY-310673

>  <LOCATION_CODE> (1,592)
PTNCS

>  <AMOUNT_CURRENT> (1,592)
33.1

$$$$
SD-16304
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,593)
1594

>  <Formula> (1,593)
C20H16N2O

>  <MolWeight> (1,593)
300.35384

>  <PCAT_CMPD_ID> (1,593)
SD-16304

>  <CNC_ID> (1,593)
359313671

>  <transfer_container_id> (1,593)
PTN000000065

>  <COMPOUND_NUMBER> (1,593)
SD-16304

>  <LOCATION_CODE> (1,593)
PTNCS

>  <AMOUNT_CURRENT> (1,593)
33.5

$$$$
WAY-312312
csChFnd80/10101909502D

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 11  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,594)
1595

>  <Formula> (1,594)
C18H19N3O

>  <MolWeight> (1,594)
293.36296

>  <PCAT_CMPD_ID> (1,594)
WAY-312312

>  <CNC_ID> (1,594)
359316052

>  <transfer_container_id> (1,594)
PTN000000065

>  <COMPOUND_NUMBER> (1,594)
WAY-312312

>  <LOCATION_CODE> (1,594)
PTNCS

>  <AMOUNT_CURRENT> (1,594)
33.3

$$$$
WAY-312233-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,595)
1596

>  <Formula> (1,595)
C20H28N4

>  <MolWeight> (1,595)
324.46312

>  <PCAT_CMPD_ID> (1,595)
WAY-312233-A

>  <CNC_ID> (1,595)
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>  <transfer_container_id> (1,595)
PTN000000065

>  <COMPOUND_NUMBER> (1,595)
WAY-312233-A

>  <LOCATION_CODE> (1,595)
PTNCS

>  <AMOUNT_CURRENT> (1,595)
33

$$$$
WAY-311718-A
csChFnd80/10101909502D

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 11 14  1  0  0  0  0
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 10 13  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,596)
1597

>  <Formula> (1,596)
C13H18N4

>  <MolWeight> (1,596)
230.30882

>  <PCAT_CMPD_ID> (1,596)
WAY-311718-A

>  <CNC_ID> (1,596)
359315459

>  <transfer_container_id> (1,596)
PTN000000065

>  <COMPOUND_NUMBER> (1,596)
WAY-311718-A

>  <LOCATION_CODE> (1,596)
PTNCS

>  <AMOUNT_CURRENT> (1,596)
33.2

$$$$
WAY-310570
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
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 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,597)
1598

>  <Formula> (1,597)
C21H17N3O

>  <MolWeight> (1,597)
327.37918

>  <PCAT_CMPD_ID> (1,597)
WAY-310570

>  <CNC_ID> (1,597)
359314311

>  <transfer_container_id> (1,597)
PTN000000065

>  <COMPOUND_NUMBER> (1,597)
WAY-310570

>  <LOCATION_CODE> (1,597)
PTNCS

>  <AMOUNT_CURRENT> (1,597)
33.8

$$$$
WAY-345457
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 10  3  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14  6  2  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  2  0  0  0  0
 20 10  2  0  0  0  0
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 25 19  1  0  0  0  0
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 25 24  2  0  0  0  0
  7  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,598)
1599

>  <Formula> (1,598)
C18H19N3O4

>  <MolWeight> (1,598)
341.36116

>  <PCAT_CMPD_ID> (1,598)
WAY-345457

>  <CNC_ID> (1,598)
359320726

>  <transfer_container_id> (1,598)
PTN000000065

>  <COMPOUND_NUMBER> (1,598)
WAY-345457

>  <LOCATION_CODE> (1,598)
PTNCS

>  <AMOUNT_CURRENT> (1,598)
32.1

$$$$
WAY-311357-A
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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 19 23  1  0  0  0  0
  7  9  2  0  0  0  0
 11 14  2  0  0  0  0
 20 23  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,599)
1600

>  <Formula> (1,599)
C19H15N3O

>  <MolWeight> (1,599)
301.3419

>  <PCAT_CMPD_ID> (1,599)
WAY-311357-A

>  <CNC_ID> (1,599)
359315098

>  <transfer_container_id> (1,599)
PTN000000065

>  <COMPOUND_NUMBER> (1,599)
WAY-311357-A

>  <LOCATION_CODE> (1,599)
PTNCS

>  <AMOUNT_CURRENT> (1,599)
33.1

$$$$
WAY-344622
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
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 19  9  1  0  0  0  0
 20  9  2  0  0  0  0
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 23 22  2  0  0  0  0
  5  3  1  0  0  0  0
 23 21  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,600)
1601

>  <Formula> (1,600)
C17H14N2O4

>  <MolWeight> (1,600)
310.30406

>  <PCAT_CMPD_ID> (1,600)
WAY-344622

>  <CNC_ID> (1,600)
359319939

>  <transfer_container_id> (1,600)
PTN000000065

>  <COMPOUND_NUMBER> (1,600)
WAY-344622

>  <LOCATION_CODE> (1,600)
PTNCS

>  <AMOUNT_CURRENT> (1,600)
28.7

$$$$
WAY-312018
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
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 14  4  1  0  0  0  0
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 17  7  1  0  0  0  0
 18  6  2  0  0  0  0
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  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,601)
1602

>  <Formula> (1,601)
C12H10N2O3S

>  <MolWeight> (1,601)
262.2844

>  <PCAT_CMPD_ID> (1,601)
WAY-312018

>  <CNC_ID> (1,601)
359315759

>  <transfer_container_id> (1,601)
PTN000000065

>  <COMPOUND_NUMBER> (1,601)
WAY-312018

>  <LOCATION_CODE> (1,601)
PTNCS

>  <AMOUNT_CURRENT> (1,601)
33.4

$$$$
WAY-312315
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,602)
1603

>  <Formula> (1,602)
C8H11ClN4O

>  <MolWeight> (1,602)
214.65214

>  <PCAT_CMPD_ID> (1,602)
WAY-312315

>  <CNC_ID> (1,602)
359316055

>  <transfer_container_id> (1,602)
PTN000000065

>  <COMPOUND_NUMBER> (1,602)
WAY-312315

>  <LOCATION_CODE> (1,602)
PTNCS

>  <AMOUNT_CURRENT> (1,602)
33.5

$$$$
WAY-311947
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
 11 12  1  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,603)
1604

>  <Formula> (1,603)
C17H12FN3OS

>  <MolWeight> (1,603)
325.3600832

>  <PCAT_CMPD_ID> (1,603)
WAY-311947

>  <CNC_ID> (1,603)
359315688

>  <transfer_container_id> (1,603)
PTN000000065

>  <COMPOUND_NUMBER> (1,603)
WAY-311947

>  <LOCATION_CODE> (1,603)
PTNCS

>  <AMOUNT_CURRENT> (1,603)
30.1

$$$$
WAY-344020
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
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 17 14  1  0  0  0  0
 18 15  2  0  0  0  0
 19 18  1  0  0  0  0
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  8  4  2  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,604)
1605

>  <Formula> (1,604)
C14H13N3OS

>  <MolWeight> (1,604)
271.33752

>  <PCAT_CMPD_ID> (1,604)
WAY-344020

>  <CNC_ID> (1,604)
359319358

>  <transfer_container_id> (1,604)
PTN000000065

>  <COMPOUND_NUMBER> (1,604)
WAY-344020

>  <LOCATION_CODE> (1,604)
PTNCS

>  <AMOUNT_CURRENT> (1,604)
32.6

$$$$
WAY-343880
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 12  3  1  0  0  0  0
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  4  6  1  0  0  0  0
 11  7  1  0  0  0  0
 24 21  1  0  0  0  0
 23 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,605)
1606

>  <Formula> (1,605)
C19H14N2O2S

>  <MolWeight> (1,605)
334.39166

>  <PCAT_CMPD_ID> (1,605)
WAY-343880

>  <CNC_ID> (1,605)
359319221

>  <transfer_container_id> (1,605)
PTN000000065

>  <COMPOUND_NUMBER> (1,605)
WAY-343880

>  <LOCATION_CODE> (1,605)
PTNCS

>  <AMOUNT_CURRENT> (1,605)
30.1

$$$$
WAY-310672
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,606)
1607

>  <Formula> (1,606)
C11H15N3S2

>  <MolWeight> (1,606)
253.3869

>  <PCAT_CMPD_ID> (1,606)
WAY-310672

>  <CNC_ID> (1,606)
359314413

>  <transfer_container_id> (1,606)
PTN000000065

>  <COMPOUND_NUMBER> (1,606)
WAY-310672

>  <LOCATION_CODE> (1,606)
PTNCS

>  <AMOUNT_CURRENT> (1,606)
33.3

$$$$
WAY-343894
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,607)
1608

>  <Formula> (1,607)
C14H9Cl2N3O2S

>  <MolWeight> (1,607)
354.21116

>  <PCAT_CMPD_ID> (1,607)
WAY-343894

>  <CNC_ID> (1,607)
359319235

>  <transfer_container_id> (1,607)
PTN000000065

>  <COMPOUND_NUMBER> (1,607)
WAY-343894

>  <LOCATION_CODE> (1,607)
PTNCS

>  <AMOUNT_CURRENT> (1,607)
32.2

$$$$
WAY-310296
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,608)
1609

>  <Formula> (1,608)
C15H13N3O2S2

>  <MolWeight> (1,608)
331.41262

>  <PCAT_CMPD_ID> (1,608)
WAY-310296

>  <CNC_ID> (1,608)
359314037

>  <transfer_container_id> (1,608)
PTN000000065

>  <COMPOUND_NUMBER> (1,608)
WAY-310296

>  <LOCATION_CODE> (1,608)
PTNCS

>  <AMOUNT_CURRENT> (1,608)
33.5

$$$$
WAY-354289
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,609)
1610

>  <Formula> (1,609)
C21H18N4O2S

>  <MolWeight> (1,609)
390.45822

>  <PCAT_CMPD_ID> (1,609)
WAY-354289

>  <CNC_ID> (1,609)
359320922

>  <transfer_container_id> (1,609)
PTN000000065

>  <COMPOUND_NUMBER> (1,609)
WAY-354289

>  <LOCATION_CODE> (1,609)
PTNCS

>  <AMOUNT_CURRENT> (1,609)
32.8

$$$$
WAY-350475
csChFnd80/10101909502D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,610)
1611

>  <Formula> (1,610)
C24H20ClN5O

>  <MolWeight> (1,610)
429.9015

>  <PCAT_CMPD_ID> (1,610)
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>  <CNC_ID> (1,610)
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>  <transfer_container_id> (1,610)
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>  <COMPOUND_NUMBER> (1,610)
WAY-350475

>  <LOCATION_CODE> (1,610)
PTNCS

>  <AMOUNT_CURRENT> (1,610)
32

$$$$
WAY-310511
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,611)
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PTN000000065

>  <COMPOUND_NUMBER> (1,611)
WAY-310511

>  <LOCATION_CODE> (1,611)
PTNCS

>  <AMOUNT_CURRENT> (1,611)
33.8

$$$$
WAY-234320
csChFnd80/10101909502D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 22 20  1  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (1,612)
1613

>  <Formula> (1,612)
C23H20N2O4S

>  <MolWeight> (1,612)
420.4809

>  <PCAT_CMPD_ID> (1,612)
WAY-234320

>  <CNC_ID> (1,612)
359313926

>  <transfer_container_id> (1,612)
PTN000000065

>  <COMPOUND_NUMBER> (1,612)
WAY-234320

>  <LOCATION_CODE> (1,612)
PTNCS

>  <AMOUNT_CURRENT> (1,612)
33.6

$$$$
WAY-296814
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,613)
1614

>  <Formula> (1,613)
C15H15ClN2O2

>  <MolWeight> (1,613)
290.7448

>  <PCAT_CMPD_ID> (1,613)
WAY-296814

>  <CNC_ID> (1,613)
359343258

>  <transfer_container_id> (1,613)
PTN000000068

>  <COMPOUND_NUMBER> (1,613)
WAY-296814

>  <LOCATION_CODE> (1,613)
PTNCS

>  <AMOUNT_CURRENT> (1,613)
33.4

$$$$
WAY-296888
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,614)
1615

>  <Formula> (1,614)
C14H14BrN3O3S

>  <MolWeight> (1,614)
384.24826

>  <PCAT_CMPD_ID> (1,614)
WAY-296888

>  <CNC_ID> (1,614)
359343332

>  <transfer_container_id> (1,614)
PTN000000068

>  <COMPOUND_NUMBER> (1,614)
WAY-296888

>  <LOCATION_CODE> (1,614)
PTNCS

>  <AMOUNT_CURRENT> (1,614)
33.1

$$$$
WAY-296902
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,615)
1616

>  <Formula> (1,615)
C11H6BrN3O2S

>  <MolWeight> (1,615)
324.15324

>  <PCAT_CMPD_ID> (1,615)
WAY-296902

>  <CNC_ID> (1,615)
359343346

>  <transfer_container_id> (1,615)
PTN000000068

>  <COMPOUND_NUMBER> (1,615)
WAY-296902

>  <LOCATION_CODE> (1,615)
PTNCS

>  <AMOUNT_CURRENT> (1,615)
33.4

$$$$
WAY-297480
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,616)
1617

>  <Formula> (1,616)
C21H21NO5

>  <MolWeight> (1,616)
367.39514

>  <PCAT_CMPD_ID> (1,616)
WAY-297480

>  <CNC_ID> (1,616)
359343924

>  <transfer_container_id> (1,616)
PTN000000068

>  <COMPOUND_NUMBER> (1,616)
WAY-297480

>  <LOCATION_CODE> (1,616)
PTNCS

>  <AMOUNT_CURRENT> (1,616)
33.1

$$$$
WAY-297631
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,617)
1618

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>  <MolWeight> (1,617)
353.41162

>  <PCAT_CMPD_ID> (1,617)
WAY-297631

>  <CNC_ID> (1,617)
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>  <transfer_container_id> (1,617)
PTN000000068

>  <COMPOUND_NUMBER> (1,617)
WAY-297631

>  <LOCATION_CODE> (1,617)
PTNCS

>  <AMOUNT_CURRENT> (1,617)
33.3

$$$$
WAY-337228
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,618)
1619

>  <Formula> (1,618)
C20H24N2O3S

>  <MolWeight> (1,618)
372.48116

>  <PCAT_CMPD_ID> (1,618)
WAY-337228

>  <CNC_ID> (1,618)
359346484

>  <transfer_container_id> (1,618)
PTN000000074

>  <COMPOUND_NUMBER> (1,618)
WAY-337228

>  <LOCATION_CODE> (1,618)
PTNCS

>  <AMOUNT_CURRENT> (1,618)
33

$$$$
CL-416338
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,619)
1620

>  <Formula> (1,619)
C17H16N4O3S

>  <MolWeight> (1,619)
356.39894

>  <PCAT_CMPD_ID> (1,619)
CL-416338

>  <CNC_ID> (1,619)
359353777

>  <transfer_container_id> (1,619)
PTN000000069

>  <COMPOUND_NUMBER> (1,619)
CL-416338

>  <LOCATION_CODE> (1,619)
PTNCS

>  <AMOUNT_CURRENT> (1,619)
33.1

$$$$
GI-556795
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,620)
1621

>  <Formula> (1,620)
C21H24N6O

>  <MolWeight> (1,620)
376.45486

>  <PCAT_CMPD_ID> (1,620)
GI-556795

>  <CNC_ID> (1,620)
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>  <transfer_container_id> (1,620)
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>  <COMPOUND_NUMBER> (1,620)
GI-556795

>  <LOCATION_CODE> (1,620)
PTNCS

>  <AMOUNT_CURRENT> (1,620)
31.1

$$$$
WAY-113497
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,621)
1622

>  <Formula> (1,621)
C15H11NO2

>  <MolWeight> (1,621)
237.25334

>  <PCAT_CMPD_ID> (1,621)
WAY-113497

>  <CNC_ID> (1,621)
359353887

>  <transfer_container_id> (1,621)
PTN000000069

>  <COMPOUND_NUMBER> (1,621)
WAY-113497

>  <LOCATION_CODE> (1,621)
PTNCS

>  <AMOUNT_CURRENT> (1,621)
33.3

$$$$
WAY-298001
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,622)
1623

>  <Formula> (1,622)
C14H14N2O2

>  <MolWeight> (1,622)
242.27316

>  <PCAT_CMPD_ID> (1,622)
WAY-298001

>  <CNC_ID> (1,622)
359356995

>  <transfer_container_id> (1,622)
PTN000000069

>  <COMPOUND_NUMBER> (1,622)
WAY-298001

>  <LOCATION_CODE> (1,622)
PTNCS

>  <AMOUNT_CURRENT> (1,622)
33.3

$$$$
WAY-298004
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,623)
1624

>  <Formula> (1,623)
C6H4F3N5O

>  <MolWeight> (1,623)
219.1240696

>  <PCAT_CMPD_ID> (1,623)
WAY-298004

>  <CNC_ID> (1,623)
359356998

>  <transfer_container_id> (1,623)
PTN000000069

>  <COMPOUND_NUMBER> (1,623)
WAY-298004

>  <LOCATION_CODE> (1,623)
PTNCS

>  <AMOUNT_CURRENT> (1,623)
33.1

$$$$
WAY-298067
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,624)
1625

>  <Formula> (1,624)
C18H15FN2O2

>  <MolWeight> (1,624)
310.3223032

>  <PCAT_CMPD_ID> (1,624)
WAY-298067

>  <CNC_ID> (1,624)
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>  <transfer_container_id> (1,624)
PTN000000069

>  <COMPOUND_NUMBER> (1,624)
WAY-298067

>  <LOCATION_CODE> (1,624)
PTNCS

>  <AMOUNT_CURRENT> (1,624)
33.4

$$$$
WAY-298108
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,625)
1626

>  <Formula> (1,625)
C12H12FNO3S

>  <MolWeight> (1,625)
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>  <PCAT_CMPD_ID> (1,625)
WAY-298108

>  <CNC_ID> (1,625)
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>  <transfer_container_id> (1,625)
PTN000000069

>  <COMPOUND_NUMBER> (1,625)
WAY-298108

>  <LOCATION_CODE> (1,625)
PTNCS

>  <AMOUNT_CURRENT> (1,625)
33.1

$$$$
WAY-215371
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,626)
1627

>  <Formula> (1,626)
C15H14F3NO3

>  <MolWeight> (1,626)
313.2717696

>  <PCAT_CMPD_ID> (1,626)
WAY-215371

>  <CNC_ID> (1,626)
359354008

>  <transfer_container_id> (1,626)
PTN000000069

>  <COMPOUND_NUMBER> (1,626)
WAY-215371

>  <LOCATION_CODE> (1,626)
PTNCS

>  <AMOUNT_CURRENT> (1,626)
33.3

$$$$
WAY-216775
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,627)
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>  <Formula> (1,627)
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>  <MolWeight> (1,627)
356.89068

>  <PCAT_CMPD_ID> (1,627)
WAY-216775

>  <CNC_ID> (1,627)
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>  <transfer_container_id> (1,627)
PTN000000069

>  <COMPOUND_NUMBER> (1,627)
WAY-216775

>  <LOCATION_CODE> (1,627)
PTNCS

>  <AMOUNT_CURRENT> (1,627)
33.1

$$$$
WAY-230588
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,628)
1629

>  <Formula> (1,628)
C14H12N2O2

>  <MolWeight> (1,628)
240.25728

>  <PCAT_CMPD_ID> (1,628)
WAY-230588

>  <CNC_ID> (1,628)
359354081

>  <transfer_container_id> (1,628)
PTN000000069

>  <COMPOUND_NUMBER> (1,628)
WAY-230588

>  <LOCATION_CODE> (1,628)
PTNCS

>  <AMOUNT_CURRENT> (1,628)
33.2

$$$$
WAY-234929
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,629)
1630

>  <Formula> (1,629)
C20H17FN2O3S

>  <MolWeight> (1,629)
384.4239832

>  <PCAT_CMPD_ID> (1,629)
WAY-234929

>  <CNC_ID> (1,629)
359354141

>  <transfer_container_id> (1,629)
PTN000000069

>  <COMPOUND_NUMBER> (1,629)
WAY-234929

>  <LOCATION_CODE> (1,629)
PTNCS

>  <AMOUNT_CURRENT> (1,629)
33

$$$$
WAY-298140
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,630)
1631

>  <Formula> (1,630)
C20H21NO6S

>  <MolWeight> (1,630)
403.44884

>  <PCAT_CMPD_ID> (1,630)
WAY-298140

>  <CNC_ID> (1,630)
359357134

>  <transfer_container_id> (1,630)
PTN000000069

>  <COMPOUND_NUMBER> (1,630)
WAY-298140

>  <LOCATION_CODE> (1,630)
PTNCS

>  <AMOUNT_CURRENT> (1,630)
33.3

$$$$
WAY-298175
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,631)
1632

>  <Formula> (1,631)
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>  <MolWeight> (1,631)
490.5162928

>  <PCAT_CMPD_ID> (1,631)
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>  <CNC_ID> (1,631)
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>  <transfer_container_id> (1,631)
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>  <COMPOUND_NUMBER> (1,631)
WAY-298175

>  <LOCATION_CODE> (1,631)
PTNCS

>  <AMOUNT_CURRENT> (1,631)
33.4

$$$$
WAY-298179
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,632)
1633

>  <Formula> (1,632)
C18H16ClN3O

>  <MolWeight> (1,632)
325.79214

>  <PCAT_CMPD_ID> (1,632)
WAY-298179

>  <CNC_ID> (1,632)
359357173

>  <transfer_container_id> (1,632)
PTN000000069

>  <COMPOUND_NUMBER> (1,632)
WAY-298179

>  <LOCATION_CODE> (1,632)
PTNCS

>  <AMOUNT_CURRENT> (1,632)
33.5

$$$$
WAY-298181
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,633)
1634

>  <Formula> (1,633)
C20H17FN2O

>  <MolWeight> (1,633)
320.3601832

>  <PCAT_CMPD_ID> (1,633)
WAY-298181

>  <CNC_ID> (1,633)
359357175

>  <transfer_container_id> (1,633)
PTN000000069

>  <COMPOUND_NUMBER> (1,633)
WAY-298181

>  <LOCATION_CODE> (1,633)
PTNCS

>  <AMOUNT_CURRENT> (1,633)
33.3

$$$$
WAY-298192
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,634)
1635

>  <Formula> (1,634)
C22H21ClN2O4S

>  <MolWeight> (1,634)
444.93114

>  <PCAT_CMPD_ID> (1,634)
WAY-298192

>  <CNC_ID> (1,634)
359357186

>  <transfer_container_id> (1,634)
PTN000000069

>  <COMPOUND_NUMBER> (1,634)
WAY-298192

>  <LOCATION_CODE> (1,634)
PTNCS

>  <AMOUNT_CURRENT> (1,634)
33.1

$$$$
WAY-298225
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,635)
1636

>  <Formula> (1,635)
C18H14Cl2N4O2

>  <MolWeight> (1,635)
389.23536

>  <PCAT_CMPD_ID> (1,635)
WAY-298225

>  <CNC_ID> (1,635)
359357219

>  <transfer_container_id> (1,635)
PTN000000069

>  <COMPOUND_NUMBER> (1,635)
WAY-298225

>  <LOCATION_CODE> (1,635)
PTNCS

>  <AMOUNT_CURRENT> (1,635)
33.1

$$$$
WAY-298237
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,636)
1637

>  <Formula> (1,636)
C13H12BrN3O3

>  <MolWeight> (1,636)
338.15668

>  <PCAT_CMPD_ID> (1,636)
WAY-298237

>  <CNC_ID> (1,636)
359357231

>  <transfer_container_id> (1,636)
PTN000000069

>  <COMPOUND_NUMBER> (1,636)
WAY-298237

>  <LOCATION_CODE> (1,636)
PTNCS

>  <AMOUNT_CURRENT> (1,636)
33.3

$$$$
WAY-298299
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,637)
1638

>  <Formula> (1,637)
C14H13N7S

>  <MolWeight> (1,637)
311.36492

>  <PCAT_CMPD_ID> (1,637)
WAY-298299

>  <CNC_ID> (1,637)
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>  <transfer_container_id> (1,637)
PTN000000069

>  <COMPOUND_NUMBER> (1,637)
WAY-298299

>  <LOCATION_CODE> (1,637)
PTNCS

>  <AMOUNT_CURRENT> (1,637)
33.4

$$$$
WAY-298304
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,638)
1639

>  <Formula> (1,638)
C16H14N2OS2

>  <MolWeight> (1,638)
314.42516

>  <PCAT_CMPD_ID> (1,638)
WAY-298304

>  <CNC_ID> (1,638)
359357298

>  <transfer_container_id> (1,638)
PTN000000069

>  <COMPOUND_NUMBER> (1,638)
WAY-298304

>  <LOCATION_CODE> (1,638)
PTNCS

>  <AMOUNT_CURRENT> (1,638)
33.3

$$$$
WAY-299059-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,639)
1640

>  <Formula> (1,639)
C22H26N2O5

>  <MolWeight> (1,639)
398.45224

>  <PCAT_CMPD_ID> (1,639)
WAY-299059-A

>  <CNC_ID> (1,639)
359358053

>  <transfer_container_id> (1,639)
PTN000000069

>  <COMPOUND_NUMBER> (1,639)
WAY-299059-A

>  <LOCATION_CODE> (1,639)
PTNCS

>  <AMOUNT_CURRENT> (1,639)
33.1

$$$$
WAY-299078
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,640)
1641

>  <Formula> (1,640)
C16H17NO

>  <MolWeight> (1,640)
239.31228

>  <PCAT_CMPD_ID> (1,640)
WAY-299078

>  <CNC_ID> (1,640)
359358072

>  <transfer_container_id> (1,640)
PTN000000069

>  <COMPOUND_NUMBER> (1,640)
WAY-299078

>  <LOCATION_CODE> (1,640)
PTNCS

>  <AMOUNT_CURRENT> (1,640)
33.5

$$$$
WAY-299111
csChFnd80/10101909502D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,641)
1642

>  <Formula> (1,641)
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481.50262

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>  <CNC_ID> (1,641)
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>  <transfer_container_id> (1,641)
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>  <COMPOUND_NUMBER> (1,641)
WAY-299111

>  <LOCATION_CODE> (1,641)
PTNCS

>  <AMOUNT_CURRENT> (1,641)
33.3

$$$$
WAY-299201
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,642)
1643

>  <Formula> (1,642)
C12H12N4O2S

>  <MolWeight> (1,642)
276.31428

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WAY-299201

>  <CNC_ID> (1,642)
359358195

>  <transfer_container_id> (1,642)
PTN000000069

>  <COMPOUND_NUMBER> (1,642)
WAY-299201

>  <LOCATION_CODE> (1,642)
PTNCS

>  <AMOUNT_CURRENT> (1,642)
33.3

$$$$
WAY-382639
csChFnd80/10101909502D

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>  <Mol_ID> (1,643)
1644

>  <Formula> (1,643)
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>  <MolWeight> (1,643)
356.37734

>  <PCAT_CMPD_ID> (1,643)
WAY-382639

>  <CNC_ID> (1,643)
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>  <transfer_container_id> (1,643)
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>  <COMPOUND_NUMBER> (1,643)
WAY-382639

>  <LOCATION_CODE> (1,643)
PTNCS

>  <AMOUNT_CURRENT> (1,643)
29.5

$$$$
WAY-382661
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,644)
1645

>  <Formula> (1,644)
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>  <MolWeight> (1,644)
456.2876432

>  <PCAT_CMPD_ID> (1,644)
WAY-382661

>  <CNC_ID> (1,644)
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>  <transfer_container_id> (1,644)
PTN000000069

>  <COMPOUND_NUMBER> (1,644)
WAY-382661

>  <LOCATION_CODE> (1,644)
PTNCS

>  <AMOUNT_CURRENT> (1,644)
32.7

$$$$
CL-401130
csChFnd80/10101909502D

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>  <Mol_ID> (1,645)
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>  <Formula> (1,645)
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>  <MolWeight> (1,645)
465.38388

>  <PCAT_CMPD_ID> (1,645)
CL-401130

>  <CNC_ID> (1,645)
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>  <COMPOUND_NUMBER> (1,645)
CL-401130

>  <LOCATION_CODE> (1,645)
PTNCS

>  <AMOUNT_CURRENT> (1,645)
30.3

$$$$
CL-415819
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,646)
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>  <Formula> (1,646)
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>  <MolWeight> (1,646)
346.7617

>  <PCAT_CMPD_ID> (1,646)
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>  <CNC_ID> (1,646)
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>  <transfer_container_id> (1,646)
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>  <COMPOUND_NUMBER> (1,646)
CL-415819

>  <LOCATION_CODE> (1,646)
PTNCS

>  <AMOUNT_CURRENT> (1,646)
33.4

$$$$
WAY-115133
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,647)
1648

>  <Formula> (1,647)
C19H19N3O3S

>  <MolWeight> (1,647)
369.43746

>  <PCAT_CMPD_ID> (1,647)
WAY-115133

>  <CNC_ID> (1,647)
359367596

>  <transfer_container_id> (1,647)
PTN000000070

>  <COMPOUND_NUMBER> (1,647)
WAY-115133

>  <LOCATION_CODE> (1,647)
PTNCS

>  <AMOUNT_CURRENT> (1,647)
33.1

$$$$
WAY-226002
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,648)
1649

>  <Formula> (1,648)
C11H5N3O4S

>  <MolWeight> (1,648)
275.2401

>  <PCAT_CMPD_ID> (1,648)
WAY-226002

>  <CNC_ID> (1,648)
359367741

>  <transfer_container_id> (1,648)
PTN000000070

>  <COMPOUND_NUMBER> (1,648)
WAY-226002

>  <LOCATION_CODE> (1,648)
PTNCS

>  <AMOUNT_CURRENT> (1,648)
33.3

$$$$
WAY-236837
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,649)
1650

>  <Formula> (1,649)
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>  <MolWeight> (1,649)
241.24204

>  <PCAT_CMPD_ID> (1,649)
WAY-236837

>  <CNC_ID> (1,649)
359367863

>  <transfer_container_id> (1,649)
PTN000000070

>  <COMPOUND_NUMBER> (1,649)
WAY-236837

>  <LOCATION_CODE> (1,649)
PTNCS

>  <AMOUNT_CURRENT> (1,649)
33.5

$$$$
WAY-300274
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,650)
1651

>  <Formula> (1,650)
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>  <MolWeight> (1,650)
239.22616

>  <PCAT_CMPD_ID> (1,650)
WAY-300274

>  <CNC_ID> (1,650)
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>  <transfer_container_id> (1,650)
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>  <COMPOUND_NUMBER> (1,650)
WAY-300274

>  <LOCATION_CODE> (1,650)
PTNCS

>  <AMOUNT_CURRENT> (1,650)
33.2

$$$$
WAY-300280
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,651)
1652

>  <Formula> (1,651)
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>  <MolWeight> (1,651)
165.18914

>  <PCAT_CMPD_ID> (1,651)
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>  <CNC_ID> (1,651)
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>  <transfer_container_id> (1,651)
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>  <COMPOUND_NUMBER> (1,651)
WAY-300280

>  <LOCATION_CODE> (1,651)
PTNCS

>  <AMOUNT_CURRENT> (1,651)
33.1

$$$$
WAY-300412
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,652)
1653

>  <Formula> (1,652)
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>  <MolWeight> (1,652)
331.36458

>  <PCAT_CMPD_ID> (1,652)
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>  <CNC_ID> (1,652)
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>  <transfer_container_id> (1,652)
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>  <COMPOUND_NUMBER> (1,652)
WAY-300412

>  <LOCATION_CODE> (1,652)
PTNCS

>  <AMOUNT_CURRENT> (1,652)
29.9

$$$$
WAY-300602
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,653)
1654

>  <Formula> (1,653)
C16H14N2O3

>  <MolWeight> (1,653)
282.29396

>  <PCAT_CMPD_ID> (1,653)
WAY-300602

>  <CNC_ID> (1,653)
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>  <transfer_container_id> (1,653)
PTN000000070

>  <COMPOUND_NUMBER> (1,653)
WAY-300602

>  <LOCATION_CODE> (1,653)
PTNCS

>  <AMOUNT_CURRENT> (1,653)
33.4

$$$$
WAY-300691
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,654)
1655

>  <Formula> (1,654)
C15H14N2O4S

>  <MolWeight> (1,654)
318.34766

>  <PCAT_CMPD_ID> (1,654)
WAY-300691

>  <CNC_ID> (1,654)
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>  <transfer_container_id> (1,654)
PTN000000070

>  <COMPOUND_NUMBER> (1,654)
WAY-300691

>  <LOCATION_CODE> (1,654)
PTNCS

>  <AMOUNT_CURRENT> (1,654)
33.2

$$$$
WAY-300705
csChFnd80/10101909502D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,655)
1656

>  <Formula> (1,655)
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>  <MolWeight> (1,655)
240.34186

>  <PCAT_CMPD_ID> (1,655)
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>  <CNC_ID> (1,655)
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>  <transfer_container_id> (1,655)
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>  <COMPOUND_NUMBER> (1,655)
WAY-300705

>  <LOCATION_CODE> (1,655)
PTNCS

>  <AMOUNT_CURRENT> (1,655)
33

$$$$
WAY-300725
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,656)
1657

>  <Formula> (1,656)
C17H10N2O5

>  <MolWeight> (1,656)
322.2717

>  <PCAT_CMPD_ID> (1,656)
WAY-300725

>  <CNC_ID> (1,656)
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>  <transfer_container_id> (1,656)
PTN000000070

>  <COMPOUND_NUMBER> (1,656)
WAY-300725

>  <LOCATION_CODE> (1,656)
PTNCS

>  <AMOUNT_CURRENT> (1,656)
33.5

$$$$
WAY-386339
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,657)
1658

>  <Formula> (1,657)
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>  <MolWeight> (1,657)
278.78038

>  <PCAT_CMPD_ID> (1,657)
WAY-386339

>  <CNC_ID> (1,657)
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>  <transfer_container_id> (1,657)
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>  <COMPOUND_NUMBER> (1,657)
WAY-386339

>  <LOCATION_CODE> (1,657)
PTNCS

>  <AMOUNT_CURRENT> (1,657)
32.4

$$$$
WAY-388367
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,658)
1659

>  <Formula> (1,658)
C13H16N4O3S2

>  <MolWeight> (1,658)
340.42114

>  <PCAT_CMPD_ID> (1,658)
WAY-388367

>  <CNC_ID> (1,658)
359372507

>  <transfer_container_id> (1,658)
PTN000000070

>  <COMPOUND_NUMBER> (1,658)
WAY-388367

>  <LOCATION_CODE> (1,658)
PTNCS

>  <AMOUNT_CURRENT> (1,658)
32.8

$$$$
WAY-388635
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
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 16  9  1  0  0  0  0
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 27  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,659)
1660

>  <Formula> (1,659)
C22H27N3O3

>  <MolWeight> (1,659)
381.46808

>  <PCAT_CMPD_ID> (1,659)
WAY-388635

>  <CNC_ID> (1,659)
359372773

>  <transfer_container_id> (1,659)
PTN000000070

>  <COMPOUND_NUMBER> (1,659)
WAY-388635

>  <LOCATION_CODE> (1,659)
PTNCS

>  <AMOUNT_CURRENT> (1,659)
32.7

$$$$
WAY-388636
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12  3  2  0  0  0  0
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M  END
>  <Mol_ID> (1,660)
1661

>  <Formula> (1,660)
C24H24N2O3

>  <MolWeight> (1,660)
388.45896

>  <PCAT_CMPD_ID> (1,660)
WAY-388636

>  <CNC_ID> (1,660)
359372774

>  <transfer_container_id> (1,660)
PTN000000070

>  <COMPOUND_NUMBER> (1,660)
WAY-388636

>  <LOCATION_CODE> (1,660)
PTNCS

>  <AMOUNT_CURRENT> (1,660)
32.2

$$$$
WAY-388649
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,661)
1662

>  <Formula> (1,661)
C13H8ClN3

>  <MolWeight> (1,661)
241.67572

>  <PCAT_CMPD_ID> (1,661)
WAY-388649

>  <CNC_ID> (1,661)
359372787

>  <transfer_container_id> (1,661)
PTN000000070

>  <COMPOUND_NUMBER> (1,661)
WAY-388649

>  <LOCATION_CODE> (1,661)
PTNCS

>  <AMOUNT_CURRENT> (1,661)
32.3

$$$$
WAY-388693
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,662)
1663

>  <Formula> (1,662)
C13H12ClNOS

>  <MolWeight> (1,662)
265.75848

>  <PCAT_CMPD_ID> (1,662)
WAY-388693

>  <CNC_ID> (1,662)
359372831

>  <transfer_container_id> (1,662)
PTN000000070

>  <COMPOUND_NUMBER> (1,662)
WAY-388693

>  <LOCATION_CODE> (1,662)
PTNCS

>  <AMOUNT_CURRENT> (1,662)
32.4

$$$$
WAY-388716
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  8  3  1  0  0  0  0
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 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
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 15 18  1  0  0  0  0
 16 14  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
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 20 15  1  0  0  0  0
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  3  6  2  0  0  0  0
 15 17  2  0  0  0  0
 16 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,663)
1664

>  <Formula> (1,663)
C18H15FN2O2S

>  <MolWeight> (1,663)
342.3873032

>  <PCAT_CMPD_ID> (1,663)
WAY-388716

>  <CNC_ID> (1,663)
359372854

>  <transfer_container_id> (1,663)
PTN000000070

>  <COMPOUND_NUMBER> (1,663)
WAY-388716

>  <LOCATION_CODE> (1,663)
PTNCS

>  <AMOUNT_CURRENT> (1,663)
32.2

$$$$
WAY-388733
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   14.3125   -7.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7 11  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  7  2  0  0  0  0
 11  4  2  0  0  0  0
 12 15  1  0  0  0  0
 13  2  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  2  1  0  0  0  0
 17  7  1  0  0  0  0
 18  6  1  0  0  0  0
 19 16  2  0  0  0  0
 20  5  1  0  0  0  0
 21  5  1  0  0  0  0
 22 10  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  2  0  0  0  0
 25 22  2  0  0  0  0
 23 14  2  0  0  0  0
  6 10  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,664)
1665

>  <Formula> (1,664)
C19H20N2O2S2

>  <MolWeight> (1,664)
372.5043

>  <PCAT_CMPD_ID> (1,664)
WAY-388733

>  <CNC_ID> (1,664)
359372871

>  <transfer_container_id> (1,664)
PTN000000070

>  <COMPOUND_NUMBER> (1,664)
WAY-388733

>  <LOCATION_CODE> (1,664)
PTNCS

>  <AMOUNT_CURRENT> (1,664)
32.9

$$$$
WAY-388762
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   12.0917   -7.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8167   -6.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875   -8.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  3  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  2  0  0  0  0
 18  9  2  0  0  0  0
 19 21  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
  7  9  1  0  0  0  0
 22 23  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,665)
1666

>  <Formula> (1,665)
C18H15ClFNO2

>  <MolWeight> (1,665)
331.7686032

>  <PCAT_CMPD_ID> (1,665)
WAY-388762

>  <CNC_ID> (1,665)
359372900

>  <transfer_container_id> (1,665)
PTN000000070

>  <COMPOUND_NUMBER> (1,665)
WAY-388762

>  <LOCATION_CODE> (1,665)
PTNCS

>  <AMOUNT_CURRENT> (1,665)
32.2

$$$$
WAY-388777
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
   12.6667   -6.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
  8  3  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,666)
1667

>  <Formula> (1,666)
C8H4Br2N2OS2

>  <MolWeight> (1,666)
368.06816

>  <PCAT_CMPD_ID> (1,666)
WAY-388777

>  <CNC_ID> (1,666)
359372915

>  <transfer_container_id> (1,666)
PTN000000070

>  <COMPOUND_NUMBER> (1,666)
WAY-388777

>  <LOCATION_CODE> (1,666)
PTNCS

>  <AMOUNT_CURRENT> (1,666)
29.2

$$$$
WAY-388805
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
   12.1625   -6.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  2  0  0  0  0
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 12  5  1  0  0  0  0
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 16  2  1  0  0  0  0
 17  8  2  0  0  0  0
 18  8  1  0  0  0  0
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 27 23  1  0  0  0  0
 11  4  2  0  0  0  0
 22 27  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,667)
1668

>  <Formula> (1,667)
C23H21NO3

>  <MolWeight> (1,667)
359.41774

>  <PCAT_CMPD_ID> (1,667)
WAY-388805

>  <CNC_ID> (1,667)
359372943

>  <transfer_container_id> (1,667)
PTN000000070

>  <COMPOUND_NUMBER> (1,667)
WAY-388805

>  <LOCATION_CODE> (1,667)
PTNCS

>  <AMOUNT_CURRENT> (1,667)
32.6

$$$$
WAY-388888
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.5375   -4.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  6  2  0  0  0  0
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 16  9  1  0  0  0  0
 17 12  2  0  0  0  0
 18 10  2  0  0  0  0
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  4  5  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,668)
1669

>  <Formula> (1,668)
C18H18N2O2S

>  <MolWeight> (1,668)
326.41272

>  <PCAT_CMPD_ID> (1,668)
WAY-388888

>  <CNC_ID> (1,668)
359373025

>  <transfer_container_id> (1,668)
PTN000000070

>  <COMPOUND_NUMBER> (1,668)
WAY-388888

>  <LOCATION_CODE> (1,668)
PTNCS

>  <AMOUNT_CURRENT> (1,668)
30.2

$$$$
WAY-388937
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11 15  2  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16  1  1  0  0  0  0
 17  3  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
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 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 22 17  2  0  0  0  0
 25 23  2  0  0  0  0
  6  5  2  0  0  0  0
M  END
>  <Mol_ID> (1,669)
1670

>  <Formula> (1,669)
C21H19BrN2O

>  <MolWeight> (1,669)
395.29236

>  <PCAT_CMPD_ID> (1,669)
WAY-388937

>  <CNC_ID> (1,669)
359373074

>  <transfer_container_id> (1,669)
PTN000000070

>  <COMPOUND_NUMBER> (1,669)
WAY-388937

>  <LOCATION_CODE> (1,669)
PTNCS

>  <AMOUNT_CURRENT> (1,669)
29.4

$$$$
WAY-388949
csChFnd80/10101909502D

 27 28  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 11  9  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14  9  2  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17  1  1  0  0  0  0
 18  7  1  0  0  0  0
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 21  6  1  0  0  0  0
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  6  4  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,670)
1671

>  <Formula> (1,670)
C17H16ClF3N2O3S

>  <MolWeight> (1,670)
420.8337496

>  <PCAT_CMPD_ID> (1,670)
WAY-388949

>  <CNC_ID> (1,670)
359373086

>  <transfer_container_id> (1,670)
PTN000000070

>  <COMPOUND_NUMBER> (1,670)
WAY-388949

>  <LOCATION_CODE> (1,670)
PTNCS

>  <AMOUNT_CURRENT> (1,670)
30.3

$$$$
WAY-388985
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
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 13  8  1  0  0  0  0
 14 10  2  0  0  0  0
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 16  9  1  0  0  0  0
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 15 14  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,671)
1672

>  <Formula> (1,671)
C18H19N3O

>  <MolWeight> (1,671)
293.36296

>  <PCAT_CMPD_ID> (1,671)
WAY-388985

>  <CNC_ID> (1,671)
359373122

>  <transfer_container_id> (1,671)
PTN000000070

>  <COMPOUND_NUMBER> (1,671)
WAY-388985

>  <LOCATION_CODE> (1,671)
PTNCS

>  <AMOUNT_CURRENT> (1,671)
32.5

$$$$
WAY-389018
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
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 14  5  1  0  0  0  0
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 10  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,672)
1673

>  <Formula> (1,672)
C13H7BrClNOS

>  <MolWeight> (1,672)
340.62278

>  <PCAT_CMPD_ID> (1,672)
WAY-389018

>  <CNC_ID> (1,672)
359373154

>  <transfer_container_id> (1,672)
PTN000000070

>  <COMPOUND_NUMBER> (1,672)
WAY-389018

>  <LOCATION_CODE> (1,672)
PTNCS

>  <AMOUNT_CURRENT> (1,672)
32.1

$$$$
WAY-389295
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,673)
1674

>  <Formula> (1,673)
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>  <MolWeight> (1,673)
220.33384

>  <PCAT_CMPD_ID> (1,673)
WAY-389295

>  <CNC_ID> (1,673)
359372535

>  <transfer_container_id> (1,673)
PTN000000070

>  <COMPOUND_NUMBER> (1,673)
WAY-389295

>  <LOCATION_CODE> (1,673)
PTNCS

>  <AMOUNT_CURRENT> (1,673)
32.3

$$$$
WAY-389329
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
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 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
 16  6  2  0  0  0  0
 17 14  2  0  0  0  0
 18 22  1  0  0  0  0
 19  8  2  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
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 23 14  1  0  0  0  0
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 25 24  2  0  0  0  0
  5  4  2  0  0  0  0
 19 25  1  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,674)
1675

>  <Formula> (1,674)
C19H20FN3OS

>  <MolWeight> (1,674)
357.4450032

>  <PCAT_CMPD_ID> (1,674)
WAY-389329

>  <CNC_ID> (1,674)
359373454

>  <transfer_container_id> (1,674)
PTN000000070

>  <COMPOUND_NUMBER> (1,674)
WAY-389329

>  <LOCATION_CODE> (1,674)
PTNCS

>  <AMOUNT_CURRENT> (1,674)
30.4

$$$$
WAY-389440
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  8  2  0  0  0  0
 12  2  2  0  0  0  0
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 15  4  2  0  0  0  0
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 17 13  1  0  0  0  0
 18  7  2  0  0  0  0
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 12 21  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,675)
1676

>  <Formula> (1,675)
C21H18O6

>  <MolWeight> (1,675)
366.36402

>  <PCAT_CMPD_ID> (1,675)
WAY-389440

>  <CNC_ID> (1,675)
359373565

>  <transfer_container_id> (1,675)
PTN000000070

>  <COMPOUND_NUMBER> (1,675)
WAY-389440

>  <LOCATION_CODE> (1,675)
PTNCS

>  <AMOUNT_CURRENT> (1,675)
32.2

$$$$
WAY-389515
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  8  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14 16  1  0  0  0  0
 15  4  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 12 10  2  0  0  0  0
  5 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,676)
1677

>  <Formula> (1,676)
C12H9BrClNO2

>  <MolWeight> (1,676)
314.56236

>  <PCAT_CMPD_ID> (1,676)
WAY-389515

>  <CNC_ID> (1,676)
359373640

>  <transfer_container_id> (1,676)
PTN000000070

>  <COMPOUND_NUMBER> (1,676)
WAY-389515

>  <LOCATION_CODE> (1,676)
PTNCS

>  <AMOUNT_CURRENT> (1,676)
29.4

$$$$
WAY-389656
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
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 13  7  2  0  0  0  0
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 27 24  1  0  0  0  0
  6  5  1  0  0  0  0
 18 19  2  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,677)
1678

>  <Formula> (1,677)
C20H24N2O5

>  <MolWeight> (1,677)
372.41496

>  <PCAT_CMPD_ID> (1,677)
WAY-389656

>  <CNC_ID> (1,677)
359373774

>  <transfer_container_id> (1,677)
PTN000000070

>  <COMPOUND_NUMBER> (1,677)
WAY-389656

>  <LOCATION_CODE> (1,677)
PTNCS

>  <AMOUNT_CURRENT> (1,677)
33

$$$$
WAY-389721
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 15  4  1  0  0  0  0
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 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
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 21 19  1  0  0  0  0
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  7  4  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,678)
1679

>  <Formula> (1,678)
C15H18Cl2N2O3

>  <MolWeight> (1,678)
345.22102

>  <PCAT_CMPD_ID> (1,678)
WAY-389721

>  <CNC_ID> (1,678)
359373839

>  <transfer_container_id> (1,678)
PTN000000070

>  <COMPOUND_NUMBER> (1,678)
WAY-389721

>  <LOCATION_CODE> (1,678)
PTNCS

>  <AMOUNT_CURRENT> (1,678)
32.1

$$$$
WAY-389781
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,679)
1680

>  <Formula> (1,679)
C23H23NO2

>  <MolWeight> (1,679)
345.43422

>  <PCAT_CMPD_ID> (1,679)
WAY-389781

>  <CNC_ID> (1,679)
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>  <transfer_container_id> (1,679)
PTN000000070

>  <COMPOUND_NUMBER> (1,679)
WAY-389781

>  <LOCATION_CODE> (1,679)
PTNCS

>  <AMOUNT_CURRENT> (1,679)
32.6

$$$$
WAY-390071
csChFnd80/10101909502D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,680)
1681

>  <Formula> (1,680)
C20H21ClF4N2O4S

>  <MolWeight> (1,680)
496.9033528

>  <PCAT_CMPD_ID> (1,680)
WAY-390071

>  <CNC_ID> (1,680)
359374177

>  <transfer_container_id> (1,680)
PTN000000070

>  <COMPOUND_NUMBER> (1,680)
WAY-390071

>  <LOCATION_CODE> (1,680)
PTNCS

>  <AMOUNT_CURRENT> (1,680)
27

$$$$
WAY-390079
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,681)
1682

>  <Formula> (1,681)
C19H15F3N2O4S

>  <MolWeight> (1,681)
424.3936096

>  <PCAT_CMPD_ID> (1,681)
WAY-390079

>  <CNC_ID> (1,681)
359374185

>  <transfer_container_id> (1,681)
PTN000000070

>  <COMPOUND_NUMBER> (1,681)
WAY-390079

>  <LOCATION_CODE> (1,681)
PTNCS

>  <AMOUNT_CURRENT> (1,681)
29.1

$$$$
WL-349440
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,682)
1683

>  <Formula> (1,682)
C8H9N3O

>  <MolWeight> (1,682)
163.17656

>  <PCAT_CMPD_ID> (1,682)
WL-349440

>  <CNC_ID> (1,682)
359380497

>  <transfer_container_id> (1,682)
PTN000000070

>  <COMPOUND_NUMBER> (1,682)
WL-349440

>  <LOCATION_CODE> (1,682)
PTNCS

>  <AMOUNT_CURRENT> (1,682)
29.1

$$$$
WAY-302122
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,683)
1684

>  <Formula> (1,683)
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>  <MolWeight> (1,683)
198.30518

>  <PCAT_CMPD_ID> (1,683)
WAY-302122

>  <CNC_ID> (1,683)
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>  <transfer_container_id> (1,683)
PTN000000071

>  <COMPOUND_NUMBER> (1,683)
WAY-302122

>  <LOCATION_CODE> (1,683)
PTNCS

>  <AMOUNT_CURRENT> (1,683)
33.1

$$$$
WAY-303263
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,684)
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>  <MolWeight> (1,684)
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>  <PCAT_CMPD_ID> (1,684)
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>  <CNC_ID> (1,684)
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>  <transfer_container_id> (1,684)
PTN000000071

>  <COMPOUND_NUMBER> (1,684)
WAY-303263

>  <LOCATION_CODE> (1,684)
PTNCS

>  <AMOUNT_CURRENT> (1,684)
33.1

$$$$
CL-311460
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,685)
1686

>  <Formula> (1,685)
C17H15NO2

>  <MolWeight> (1,685)
265.3065

>  <PCAT_CMPD_ID> (1,685)
CL-311460

>  <CNC_ID> (1,685)
359394059

>  <transfer_container_id> (1,685)
PTN000000072

>  <COMPOUND_NUMBER> (1,685)
CL-311460

>  <LOCATION_CODE> (1,685)
PTNCS

>  <AMOUNT_CURRENT> (1,685)
33.4

$$$$
GI-559778
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,686)
1687

>  <Formula> (1,686)
C19H30N2O

>  <MolWeight> (1,686)
302.4543

>  <PCAT_CMPD_ID> (1,686)
GI-559778

>  <CNC_ID> (1,686)
359394152

>  <transfer_container_id> (1,686)
PTN000000072

>  <COMPOUND_NUMBER> (1,686)
GI-559778

>  <LOCATION_CODE> (1,686)
PTNCS

>  <AMOUNT_CURRENT> (1,686)
33.8

$$$$
WAY-239268
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,687)
1688

>  <Formula> (1,687)
C18H20ClN3O3

>  <MolWeight> (1,687)
361.8227

>  <PCAT_CMPD_ID> (1,687)
WAY-239268

>  <CNC_ID> (1,687)
359394468

>  <transfer_container_id> (1,687)
PTN000000072

>  <COMPOUND_NUMBER> (1,687)
WAY-239268

>  <LOCATION_CODE> (1,687)
PTNCS

>  <AMOUNT_CURRENT> (1,687)
33

$$$$
WAY-303367
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,688)
1689

>  <Formula> (1,688)
C16H17NO2

>  <MolWeight> (1,688)
255.31168

>  <PCAT_CMPD_ID> (1,688)
WAY-303367

>  <CNC_ID> (1,688)
359394547

>  <transfer_container_id> (1,688)
PTN000000072

>  <COMPOUND_NUMBER> (1,688)
WAY-303367

>  <LOCATION_CODE> (1,688)
PTNCS

>  <AMOUNT_CURRENT> (1,688)
33.8

$$$$
WAY-303842
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,689)
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>  <LOCATION_CODE> (1,689)
PTNCS

>  <AMOUNT_CURRENT> (1,689)
33.8

$$$$
WAY-303857
csChFnd80/10101909502D

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>  <Mol_ID> (1,690)
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>  <Formula> (1,690)
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>  <MolWeight> (1,690)
258.299

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>  <CNC_ID> (1,690)
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PTN000000072

>  <COMPOUND_NUMBER> (1,690)
WAY-303857

>  <LOCATION_CODE> (1,690)
PTNCS

>  <AMOUNT_CURRENT> (1,690)
33

$$$$
WAY-304207
csChFnd80/10101909502D

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>  <Mol_ID> (1,691)
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>  <Formula> (1,691)
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>  <MolWeight> (1,691)
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>  <PCAT_CMPD_ID> (1,691)
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>  <CNC_ID> (1,691)
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>  <transfer_container_id> (1,691)
PTN000000072

>  <COMPOUND_NUMBER> (1,691)
WAY-304207

>  <LOCATION_CODE> (1,691)
PTNCS

>  <AMOUNT_CURRENT> (1,691)
33.1

$$$$
WAY-304347
csChFnd80/10101909502D

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>  <Mol_ID> (1,692)
1693

>  <Formula> (1,692)
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>  <MolWeight> (1,692)
339.77236

>  <PCAT_CMPD_ID> (1,692)
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>  <CNC_ID> (1,692)
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>  <transfer_container_id> (1,692)
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>  <COMPOUND_NUMBER> (1,692)
WAY-304347

>  <LOCATION_CODE> (1,692)
PTNCS

>  <AMOUNT_CURRENT> (1,692)
33.2

$$$$
WAY-304582
csChFnd80/10101909502D

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>  <Mol_ID> (1,693)
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>  <Formula> (1,693)
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>  <MolWeight> (1,693)
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>  <PCAT_CMPD_ID> (1,693)
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>  <CNC_ID> (1,693)
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>  <transfer_container_id> (1,693)
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>  <COMPOUND_NUMBER> (1,693)
WAY-304582

>  <LOCATION_CODE> (1,693)
PTNCS

>  <AMOUNT_CURRENT> (1,693)
33.6

$$$$
WAY-304892
csChFnd80/10101909502D

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WAY-304892

>  <LOCATION_CODE> (1,694)
PTNCS

>  <AMOUNT_CURRENT> (1,694)
33.2

$$$$
WAY-304938
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,695)
1696

>  <Formula> (1,695)
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>  <MolWeight> (1,695)
304.72832

>  <PCAT_CMPD_ID> (1,695)
WAY-304938

>  <CNC_ID> (1,695)
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>  <transfer_container_id> (1,695)
PTN000000072

>  <COMPOUND_NUMBER> (1,695)
WAY-304938

>  <LOCATION_CODE> (1,695)
PTNCS

>  <AMOUNT_CURRENT> (1,695)
33.9

$$$$
WAY-304950
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,696)
1697

>  <Formula> (1,696)
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>  <MolWeight> (1,696)
266.33762

>  <PCAT_CMPD_ID> (1,696)
WAY-304950

>  <CNC_ID> (1,696)
359396127

>  <transfer_container_id> (1,696)
PTN000000072

>  <COMPOUND_NUMBER> (1,696)
WAY-304950

>  <LOCATION_CODE> (1,696)
PTNCS

>  <AMOUNT_CURRENT> (1,696)
33.6

$$$$
WAY-305011
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,697)
1698

>  <Formula> (1,697)
C17H17N3O3S

>  <MolWeight> (1,697)
343.40018

>  <PCAT_CMPD_ID> (1,697)
WAY-305011

>  <CNC_ID> (1,697)
359396188

>  <transfer_container_id> (1,697)
PTN000000072

>  <COMPOUND_NUMBER> (1,697)
WAY-305011

>  <LOCATION_CODE> (1,697)
PTNCS

>  <AMOUNT_CURRENT> (1,697)
33

$$$$
WAY-305619
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,698)
1699

>  <Formula> (1,698)
C17H15N3O

>  <MolWeight> (1,698)
277.3205

>  <PCAT_CMPD_ID> (1,698)
WAY-305619

>  <CNC_ID> (1,698)
359396795

>  <transfer_container_id> (1,698)
PTN000000072

>  <COMPOUND_NUMBER> (1,698)
WAY-305619

>  <LOCATION_CODE> (1,698)
PTNCS

>  <AMOUNT_CURRENT> (1,698)
33.3

$$$$
WAY-383500
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,699)
1700

>  <Formula> (1,699)
C25H32N2O2

>  <MolWeight> (1,699)
392.53378

>  <PCAT_CMPD_ID> (1,699)
WAY-383500

>  <CNC_ID> (1,699)
359399570

>  <transfer_container_id> (1,699)
PTN000000072

>  <COMPOUND_NUMBER> (1,699)
WAY-383500

>  <LOCATION_CODE> (1,699)
PTNCS

>  <AMOUNT_CURRENT> (1,699)
32.3

$$$$
WAY-383516
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,700)
1701

>  <Formula> (1,700)
C16H23NOS

>  <MolWeight> (1,700)
277.42492

>  <PCAT_CMPD_ID> (1,700)
WAY-383516

>  <CNC_ID> (1,700)
359399586

>  <transfer_container_id> (1,700)
PTN000000072

>  <COMPOUND_NUMBER> (1,700)
WAY-383516

>  <LOCATION_CODE> (1,700)
PTNCS

>  <AMOUNT_CURRENT> (1,700)
32.1

$$$$
WAY-383525-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,701)
1702

>  <Formula> (1,701)
C16H25NO2

>  <MolWeight> (1,701)
263.3752

>  <PCAT_CMPD_ID> (1,701)
WAY-383525-A

>  <CNC_ID> (1,701)
359399595

>  <transfer_container_id> (1,701)
PTN000000072

>  <COMPOUND_NUMBER> (1,701)
WAY-383525-A

>  <LOCATION_CODE> (1,701)
PTNCS

>  <AMOUNT_CURRENT> (1,701)
32.2

$$$$
WAY-383603
csChFnd80/10101909502D

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 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,702)
1703

>  <Formula> (1,702)
C19H15NO3

>  <MolWeight> (1,702)
305.3273

>  <PCAT_CMPD_ID> (1,702)
WAY-383603

>  <CNC_ID> (1,702)
359399673

>  <transfer_container_id> (1,702)
PTN000000072

>  <COMPOUND_NUMBER> (1,702)
WAY-383603

>  <LOCATION_CODE> (1,702)
PTNCS

>  <AMOUNT_CURRENT> (1,702)
26.4

$$$$
WAY-384058
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,703)
1704

>  <Formula> (1,703)
C26H23NO4

>  <MolWeight> (1,703)
413.46512

>  <PCAT_CMPD_ID> (1,703)
WAY-384058

>  <CNC_ID> (1,703)
359400066

>  <transfer_container_id> (1,703)
PTN000000072

>  <COMPOUND_NUMBER> (1,703)
WAY-384058

>  <LOCATION_CODE> (1,703)
PTNCS

>  <AMOUNT_CURRENT> (1,703)
32.4

$$$$
WAY-384233
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,704)
1705

>  <Formula> (1,704)
C17H19NOS

>  <MolWeight> (1,704)
285.40386

>  <PCAT_CMPD_ID> (1,704)
WAY-384233

>  <CNC_ID> (1,704)
359400220

>  <transfer_container_id> (1,704)
PTN000000072

>  <COMPOUND_NUMBER> (1,704)
WAY-384233

>  <LOCATION_CODE> (1,704)
PTNCS

>  <AMOUNT_CURRENT> (1,704)
27.6

$$$$
WAY-384863
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  7 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,705)
1706

>  <Formula> (1,705)
C17H24N2O

>  <MolWeight> (1,705)
272.38526

>  <PCAT_CMPD_ID> (1,705)
WAY-384863

>  <CNC_ID> (1,705)
359400825

>  <transfer_container_id> (1,705)
PTN000000072

>  <COMPOUND_NUMBER> (1,705)
WAY-384863

>  <LOCATION_CODE> (1,705)
PTNCS

>  <AMOUNT_CURRENT> (1,705)
29

$$$$
WAY-385150
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  2  0  0  0  0
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 12 18  1  0  0  0  0
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 10 15  2  0  0  0  0
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M  END
>  <Mol_ID> (1,706)
1707

>  <Formula> (1,706)
C20H28N2O3

>  <MolWeight> (1,706)
344.44792

>  <PCAT_CMPD_ID> (1,706)
WAY-385150

>  <CNC_ID> (1,706)
359401071

>  <transfer_container_id> (1,706)
PTN000000072

>  <COMPOUND_NUMBER> (1,706)
WAY-385150

>  <LOCATION_CODE> (1,706)
PTNCS

>  <AMOUNT_CURRENT> (1,706)
32.1

$$$$
WAY-385459
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
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 20 18  1  0  0  0  0
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 10 11  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,707)
1708

>  <Formula> (1,707)
C15H13N3O2

>  <MolWeight> (1,707)
267.28262

>  <PCAT_CMPD_ID> (1,707)
WAY-385459

>  <CNC_ID> (1,707)
359401338

>  <transfer_container_id> (1,707)
PTN000000072

>  <COMPOUND_NUMBER> (1,707)
WAY-385459

>  <LOCATION_CODE> (1,707)
PTNCS

>  <AMOUNT_CURRENT> (1,707)
32.9

$$$$
WAY-112381
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 11 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,708)
1709

>  <Formula> (1,708)
C12H14N2O4

>  <MolWeight> (1,708)
250.25056

>  <PCAT_CMPD_ID> (1,708)
WAY-112381

>  <CNC_ID> (1,708)
359407791

>  <transfer_container_id> (1,708)
PTN000000073

>  <COMPOUND_NUMBER> (1,708)
WAY-112381

>  <LOCATION_CODE> (1,708)
PTNCS

>  <AMOUNT_CURRENT> (1,708)
33.3

$$$$
WAY-226649
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,709)
1710

>  <Formula> (1,709)
C11H9NO3

>  <MolWeight> (1,709)
203.19406

>  <PCAT_CMPD_ID> (1,709)
WAY-226649

>  <CNC_ID> (1,709)
359407984

>  <transfer_container_id> (1,709)
PTN000000073

>  <COMPOUND_NUMBER> (1,709)
WAY-226649

>  <LOCATION_CODE> (1,709)
PTNCS

>  <AMOUNT_CURRENT> (1,709)
33.1

$$$$
WAY-305745
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,710)
1711

>  <Formula> (1,710)
C12H7Br2N3O

>  <MolWeight> (1,710)
369.01148

>  <PCAT_CMPD_ID> (1,710)
WAY-305745

>  <CNC_ID> (1,710)
359408246

>  <transfer_container_id> (1,710)
PTN000000073

>  <COMPOUND_NUMBER> (1,710)
WAY-305745

>  <LOCATION_CODE> (1,710)
PTNCS

>  <AMOUNT_CURRENT> (1,710)
33.5

$$$$
WAY-306386
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,711)
1712

>  <Formula> (1,711)
C11H10N2O3

>  <MolWeight> (1,711)
218.2087

>  <PCAT_CMPD_ID> (1,711)
WAY-306386

>  <CNC_ID> (1,711)
359408886

>  <transfer_container_id> (1,711)
PTN000000073

>  <COMPOUND_NUMBER> (1,711)
WAY-306386

>  <LOCATION_CODE> (1,711)
PTNCS

>  <AMOUNT_CURRENT> (1,711)
33.8

$$$$
WAY-306392
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 15  5  2  0  0  0  0
 16  9  1  0  0  0  0
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 18 14  1  0  0  0  0
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 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,712)
1713

>  <Formula> (1,712)
C16H19N3O3

>  <MolWeight> (1,712)
301.34036

>  <PCAT_CMPD_ID> (1,712)
WAY-306392

>  <CNC_ID> (1,712)
359408892

>  <transfer_container_id> (1,712)
PTN000000073

>  <COMPOUND_NUMBER> (1,712)
WAY-306392

>  <LOCATION_CODE> (1,712)
PTNCS

>  <AMOUNT_CURRENT> (1,712)
33.4

$$$$
WAY-306595
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,713)
1714

>  <Formula> (1,713)
C14H18N2O3

>  <MolWeight> (1,713)
262.30432

>  <PCAT_CMPD_ID> (1,713)
WAY-306595

>  <CNC_ID> (1,713)
359409093

>  <transfer_container_id> (1,713)
PTN000000073

>  <COMPOUND_NUMBER> (1,713)
WAY-306595

>  <LOCATION_CODE> (1,713)
PTNCS

>  <AMOUNT_CURRENT> (1,713)
33.6

$$$$
WAY-385940
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 11  7  2  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,714)
1715

>  <Formula> (1,714)
C12H16N2O5

>  <MolWeight> (1,714)
268.26584

>  <PCAT_CMPD_ID> (1,714)
WAY-385940

>  <CNC_ID> (1,714)
359412900

>  <transfer_container_id> (1,714)
PTN000000073

>  <COMPOUND_NUMBER> (1,714)
WAY-385940

>  <LOCATION_CODE> (1,714)
PTNCS

>  <AMOUNT_CURRENT> (1,714)
32.5

$$$$
WAY-386250
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,715)
1716

>  <Formula> (1,715)
C17H18N2O3S2

>  <MolWeight> (1,715)
362.46642

>  <PCAT_CMPD_ID> (1,715)
WAY-386250

>  <CNC_ID> (1,715)
359413190

>  <transfer_container_id> (1,715)
PTN000000073

>  <COMPOUND_NUMBER> (1,715)
WAY-386250

>  <LOCATION_CODE> (1,715)
PTNCS

>  <AMOUNT_CURRENT> (1,715)
12

$$$$
WAY-386948
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,716)
1717

>  <Formula> (1,716)
C13H16N2OS2

>  <MolWeight> (1,716)
280.40894

>  <PCAT_CMPD_ID> (1,716)
WAY-386948

>  <CNC_ID> (1,716)
359413679

>  <transfer_container_id> (1,716)
PTN000000073

>  <COMPOUND_NUMBER> (1,716)
WAY-386948

>  <LOCATION_CODE> (1,716)
PTNCS

>  <AMOUNT_CURRENT> (1,716)
26.9

$$$$
WAY-309138
csChFnd80/10101909502D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 11  3  2  0  0  0  0
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 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
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 17  6  1  0  0  0  0
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 24  4  1  0  0  0  0
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 31 24  2  0  0  0  0
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 32 17  2  0  0  0  0
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 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,717)
1718

>  <Formula> (1,717)
C26H24FN3O3

>  <MolWeight> (1,717)
445.4854632

>  <PCAT_CMPD_ID> (1,717)
WAY-309138

>  <CNC_ID> (1,717)
359421990

>  <transfer_container_id> (1,717)
PTN000000074

>  <COMPOUND_NUMBER> (1,717)
WAY-309138

>  <LOCATION_CODE> (1,717)
PTNCS

>  <AMOUNT_CURRENT> (1,717)
33.1

$$$$
WAY-341768
csChFnd80/10101909502D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
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 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17  7  2  0  0  0  0
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 13  6  1  0  0  0  0
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 29 28  2  0  0  0  0
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M  END
>  <Mol_ID> (1,718)
1719

>  <Formula> (1,718)
C25H25N5

>  <MolWeight> (1,718)
395.4995

>  <PCAT_CMPD_ID> (1,718)
WAY-341768

>  <CNC_ID> (1,718)
359426713

>  <transfer_container_id> (1,718)
PTN000000074

>  <COMPOUND_NUMBER> (1,718)
WAY-341768

>  <LOCATION_CODE> (1,718)
PTNCS

>  <AMOUNT_CURRENT> (1,718)
32.6

$$$$
WAY-346016
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  1  1  0  0  0  0
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 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12  2  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16 17  1  0  0  0  0
 17  7  2  0  0  0  0
 18  6  1  0  0  0  0
 18 16  2  0  0  0  0
 11  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,719)
1720

>  <Formula> (1,719)
C13H11Cl2NOS

>  <MolWeight> (1,719)
300.20354

>  <PCAT_CMPD_ID> (1,719)
WAY-346016

>  <CNC_ID> (1,719)
359433916

>  <transfer_container_id> (1,719)
PTN000000075

>  <COMPOUND_NUMBER> (1,719)
WAY-346016

>  <LOCATION_CODE> (1,719)
PTNCS

>  <AMOUNT_CURRENT> (1,719)
32.3

$$$$
WAY-347548
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  2  0  0  0  0
 15 14  1  0  0  0  0
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 17 12  1  0  0  0  0
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 19  3  1  0  0  0  0
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 22 20  1  0  0  0  0
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 15 10  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,720)
1721

>  <Formula> (1,720)
C18H22BrNO3

>  <MolWeight> (1,720)
380.27618

>  <PCAT_CMPD_ID> (1,720)
WAY-347548

>  <CNC_ID> (1,720)
359435406

>  <transfer_container_id> (1,720)
PTN000000075

>  <COMPOUND_NUMBER> (1,720)
WAY-347548

>  <LOCATION_CODE> (1,720)
PTNCS

>  <AMOUNT_CURRENT> (1,720)
32.7

$$$$
WAY-347672
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
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 14  6  2  0  0  0  0
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 17  7  2  0  0  0  0
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 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,721)
1722

>  <Formula> (1,721)
C20H23N3O2S

>  <MolWeight> (1,721)
369.48052

>  <PCAT_CMPD_ID> (1,721)
WAY-347672

>  <CNC_ID> (1,721)
359435525

>  <transfer_container_id> (1,721)
PTN000000075

>  <COMPOUND_NUMBER> (1,721)
WAY-347672

>  <LOCATION_CODE> (1,721)
PTNCS

>  <AMOUNT_CURRENT> (1,721)
29.9

$$$$
WAY-348654
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
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 13  2  1  0  0  0  0
 14 17  2  0  0  0  0
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 16 14  1  0  0  0  0
 17 20  1  0  0  0  0
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 20 15  2  0  0  0  0
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 22 13  1  0  0  0  0
  3  2  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,722)
1723

>  <Formula> (1,722)
C14H10Cl2F3NO2

>  <MolWeight> (1,722)
352.1359096

>  <PCAT_CMPD_ID> (1,722)
WAY-348654

>  <CNC_ID> (1,722)
359436465

>  <transfer_container_id> (1,722)
PTN000000075

>  <COMPOUND_NUMBER> (1,722)
WAY-348654

>  <LOCATION_CODE> (1,722)
PTNCS

>  <AMOUNT_CURRENT> (1,722)
32.2

$$$$
WAY-348936
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  2  2  0  0  0  0
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 15 23  1  0  0  0  0
 16  6  2  0  0  0  0
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 11  8  1  0  0  0  0
 18 17  2  0  0  0  0
 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (1,723)
1724

>  <Formula> (1,723)
C22H17F3N2O4

>  <MolWeight> (1,723)
430.3765896

>  <PCAT_CMPD_ID> (1,723)
WAY-348936

>  <CNC_ID> (1,723)
359436741

>  <transfer_container_id> (1,723)
PTN000000075

>  <COMPOUND_NUMBER> (1,723)
WAY-348936

>  <LOCATION_CODE> (1,723)
PTNCS

>  <AMOUNT_CURRENT> (1,723)
24.3

$$$$
WAY-349396-A
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
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 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
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  2  4  1  0  0  0  0
 21 20  1  0  0  0  0
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M  END
>  <Mol_ID> (1,724)
1725

>  <Formula> (1,724)
C17H24N4S

>  <MolWeight> (1,724)
316.46426

>  <PCAT_CMPD_ID> (1,724)
WAY-349396-A

>  <CNC_ID> (1,724)
359437180

>  <transfer_container_id> (1,724)
PTN000000075

>  <COMPOUND_NUMBER> (1,724)
WAY-349396-A

>  <LOCATION_CODE> (1,724)
PTNCS

>  <AMOUNT_CURRENT> (1,724)
30.49

$$$$
WAY-351397
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
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 15  7  2  0  0  0  0
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 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,725)
1726

>  <Formula> (1,725)
C13H11N3O2S2

>  <MolWeight> (1,725)
305.37534

>  <PCAT_CMPD_ID> (1,725)
WAY-351397

>  <CNC_ID> (1,725)
359439093

>  <transfer_container_id> (1,725)
PTN000000075

>  <COMPOUND_NUMBER> (1,725)
WAY-351397

>  <LOCATION_CODE> (1,725)
PTNCS

>  <AMOUNT_CURRENT> (1,725)
32.4

$$$$
WAY-351656
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 17  4  2  0  0  0  0
 18  5  2  0  0  0  0
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 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,726)
1727

>  <Formula> (1,726)
C15H19N3OS

>  <MolWeight> (1,726)
289.39586

>  <PCAT_CMPD_ID> (1,726)
WAY-351656

>  <CNC_ID> (1,726)
359439345

>  <transfer_container_id> (1,726)
PTN000000075

>  <COMPOUND_NUMBER> (1,726)
WAY-351656

>  <LOCATION_CODE> (1,726)
PTNCS

>  <AMOUNT_CURRENT> (1,726)
30.4

$$$$
WAY-351927
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,727)
1728

>  <Formula> (1,727)
C10H8O4

>  <MolWeight> (1,727)
192.16812

>  <PCAT_CMPD_ID> (1,727)
WAY-351927

>  <CNC_ID> (1,727)
359439615

>  <transfer_container_id> (1,727)
PTN000000075

>  <COMPOUND_NUMBER> (1,727)
WAY-351927

>  <LOCATION_CODE> (1,727)
PTNCS

>  <AMOUNT_CURRENT> (1,727)
22.5

$$$$
WAY-352829
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 16  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,728)
1729

>  <Formula> (1,728)
C20H23N3O2

>  <MolWeight> (1,728)
337.41552

>  <PCAT_CMPD_ID> (1,728)
WAY-352829

>  <CNC_ID> (1,728)
359440490

>  <transfer_container_id> (1,728)
PTN000000075

>  <COMPOUND_NUMBER> (1,728)
WAY-352829

>  <LOCATION_CODE> (1,728)
PTNCS

>  <AMOUNT_CURRENT> (1,728)
32.8

$$$$
WAY-353055
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,729)
1730

>  <Formula> (1,729)
C14H14Cl2N2O2

>  <MolWeight> (1,729)
313.17916

>  <PCAT_CMPD_ID> (1,729)
WAY-353055

>  <CNC_ID> (1,729)
359440710

>  <transfer_container_id> (1,729)
PTN000000075

>  <COMPOUND_NUMBER> (1,729)
WAY-353055

>  <LOCATION_CODE> (1,729)
PTNCS

>  <AMOUNT_CURRENT> (1,729)
32.6

$$$$
WAY-354406
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,730)
1731

>  <Formula> (1,730)
C16H17NO4S

>  <MolWeight> (1,730)
319.37548

>  <PCAT_CMPD_ID> (1,730)
WAY-354406

>  <CNC_ID> (1,730)
359441978

>  <transfer_container_id> (1,730)
PTN000000075

>  <COMPOUND_NUMBER> (1,730)
WAY-354406

>  <LOCATION_CODE> (1,730)
PTNCS

>  <AMOUNT_CURRENT> (1,730)
32

$$$$
WAY-354585
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,731)
1732

>  <Formula> (1,731)
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>  <MolWeight> (1,731)
222.2007

>  <PCAT_CMPD_ID> (1,731)
WAY-354585

>  <CNC_ID> (1,731)
359442152

>  <transfer_container_id> (1,731)
PTN000000075

>  <COMPOUND_NUMBER> (1,731)
WAY-354585

>  <LOCATION_CODE> (1,731)
PTNCS

>  <AMOUNT_CURRENT> (1,731)
32.4

$$$$
CL-134862
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,732)
1733

>  <Formula> (1,732)
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>  <MolWeight> (1,732)
220.29078

>  <PCAT_CMPD_ID> (1,732)
CL-134862

>  <CNC_ID> (1,732)
359442412

>  <transfer_container_id> (1,732)
PTN000000076

>  <COMPOUND_NUMBER> (1,732)
CL-134862

>  <LOCATION_CODE> (1,732)
PTNCS

>  <AMOUNT_CURRENT> (1,732)
32.7

$$$$
WAY-358083
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  7  1  1  0  0  0  0
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 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  2  0  0  0  0
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 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 16  1  0  0  0  0
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 26 24  2  0  0  0  0
  8 10  2  0  0  0  0
  5  4  1  0  0  0  0
 15 16  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,733)
1734

>  <Formula> (1,733)
C18H14F3N3OS

>  <MolWeight> (1,733)
377.3834696

>  <PCAT_CMPD_ID> (1,733)
WAY-358083

>  <CNC_ID> (1,733)
359445821

>  <transfer_container_id> (1,733)
PTN000000076

>  <COMPOUND_NUMBER> (1,733)
WAY-358083

>  <LOCATION_CODE> (1,733)
PTNCS

>  <AMOUNT_CURRENT> (1,733)
32.9

$$$$
WAY-358816
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
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  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
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 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  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 13  1  0  0  0  0
 17 13  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 22 18  1  0  0  0  0
 23 20  2  0  0  0  0
 11 12  2  0  0  0  0
 22 19  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,734)
1735

>  <Formula> (1,734)
C17H14N2O2S2

>  <MolWeight> (1,734)
342.43526

>  <PCAT_CMPD_ID> (1,734)
WAY-358816

>  <CNC_ID> (1,734)
359446518

>  <transfer_container_id> (1,734)
PTN000000076

>  <COMPOUND_NUMBER> (1,734)
WAY-358816

>  <LOCATION_CODE> (1,734)
PTNCS

>  <AMOUNT_CURRENT> (1,734)
32.9

$$$$
WAY-359205
csChFnd80/10101909502D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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 14  7  1  0  0  0  0
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 19  6  1  0  0  0  0
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 29 19  1  0  0  0  0
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 31 28  2  0  0  0  0
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 30 29  1  0  0  0  0
 32 33  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,735)
1736

>  <Formula> (1,735)
C26H25FN4O2

>  <MolWeight> (1,735)
444.5007032

>  <PCAT_CMPD_ID> (1,735)
WAY-359205

>  <CNC_ID> (1,735)
359446901

>  <transfer_container_id> (1,735)
PTN000000076

>  <COMPOUND_NUMBER> (1,735)
WAY-359205

>  <LOCATION_CODE> (1,735)
PTNCS

>  <AMOUNT_CURRENT> (1,735)
32.6

$$$$
WAY-312488
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  5  7  1  0  0  0  0
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 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,736)
1737

>  <Formula> (1,736)
C18H18N2O3S2

>  <MolWeight> (1,736)
374.47712

>  <PCAT_CMPD_ID> (1,736)
WAY-312488

>  <CNC_ID> (1,736)
359316228

>  <transfer_container_id> (1,736)
PTN000000065

>  <COMPOUND_NUMBER> (1,736)
WAY-312488

>  <LOCATION_CODE> (1,736)
PTNCS

>  <AMOUNT_CURRENT> (1,736)
33.2

$$$$
WAY-340144
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,737)
1738

>  <Formula> (1,737)
C13H9N5S

>  <MolWeight> (1,737)
267.30906

>  <PCAT_CMPD_ID> (1,737)
WAY-340144

>  <CNC_ID> (1,737)
359318885

>  <transfer_container_id> (1,737)
PTN000000065

>  <COMPOUND_NUMBER> (1,737)
WAY-340144

>  <LOCATION_CODE> (1,737)
PTNCS

>  <AMOUNT_CURRENT> (1,737)
32.1

$$$$
WAY-329288
csChFnd80/10101909502D

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 10  4  2  0  0  0  0
 11  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,738)
1739

>  <Formula> (1,738)
C22H24N2O5S

>  <MolWeight> (1,738)
428.50136

>  <PCAT_CMPD_ID> (1,738)
WAY-329288

>  <CNC_ID> (1,738)
359316656

>  <transfer_container_id> (1,738)
PTN000000065

>  <COMPOUND_NUMBER> (1,738)
WAY-329288

>  <LOCATION_CODE> (1,738)
PTNCS

>  <AMOUNT_CURRENT> (1,738)
32.5

$$$$
WAY-615888-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  9  2  0  0  0  0
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 13 12  2  0  0  0  0
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 16  5  1  0  0  0  0
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 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,739)
1740

>  <Formula> (1,739)
C12H13N3OS

>  <MolWeight> (1,739)
247.31612

>  <PCAT_CMPD_ID> (1,739)
WAY-615888-A

>  <CNC_ID> (1,739)
359320973

>  <transfer_container_id> (1,739)
PTN000000065

>  <COMPOUND_NUMBER> (1,739)
WAY-615888-A

>  <LOCATION_CODE> (1,739)
PTNCS

>  <AMOUNT_CURRENT> (1,739)
32.1

$$$$
WAY-329187
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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  3  6  1  0  0  0  0
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 27 22  2  0  0  0  0
 29 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,740)
1741

>  <Formula> (1,740)
C22H19N3O4

>  <MolWeight> (1,740)
389.40396

>  <PCAT_CMPD_ID> (1,740)
WAY-329187

>  <CNC_ID> (1,740)
359316552

>  <transfer_container_id> (1,740)
PTN000000065

>  <COMPOUND_NUMBER> (1,740)
WAY-329187

>  <LOCATION_CODE> (1,740)
PTNCS

>  <AMOUNT_CURRENT> (1,740)
32.5

$$$$
WAY-330551
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 14  9  2  0  0  0  0
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  6  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,741)
1742

>  <Formula> (1,741)
C17H12ClN3O

>  <MolWeight> (1,741)
309.74968

>  <PCAT_CMPD_ID> (1,741)
WAY-330551

>  <CNC_ID> (1,741)
359317906

>  <transfer_container_id> (1,741)
PTN000000065

>  <COMPOUND_NUMBER> (1,741)
WAY-330551

>  <LOCATION_CODE> (1,741)
PTNCS

>  <AMOUNT_CURRENT> (1,741)
32.5

$$$$
WAY-642978
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,742)
1743

>  <Formula> (1,742)
C19H19N3O3S2

>  <MolWeight> (1,742)
401.50246

>  <PCAT_CMPD_ID> (1,742)
WAY-642978

>  <CNC_ID> (1,742)
359324716

>  <transfer_container_id> (1,742)
PTN000000065

>  <COMPOUND_NUMBER> (1,742)
WAY-642978

>  <LOCATION_CODE> (1,742)
PTNCS

>  <AMOUNT_CURRENT> (1,742)
32.9

$$$$
WAY-641974
csChFnd80/10101909502D

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 10 14  1  0  0  0  0
 11 10  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  8  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 18  8  1  0  0  0  0
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 20 15  1  0  0  0  0
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 19 15  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,743)
1744

>  <Formula> (1,743)
C17H12N2O2S

>  <MolWeight> (1,743)
308.35438

>  <PCAT_CMPD_ID> (1,743)
WAY-641974

>  <CNC_ID> (1,743)
359323712

>  <transfer_container_id> (1,743)
PTN000000065

>  <COMPOUND_NUMBER> (1,743)
WAY-641974

>  <LOCATION_CODE> (1,743)
PTNCS

>  <AMOUNT_CURRENT> (1,743)
32.3

$$$$
WAY-642385
csChFnd80/10101909502D

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 10 11  1  0  0  0  0
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 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 18  4  1  0  0  0  0
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 22  9  1  0  0  0  0
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  4  5  1  0  0  0  0
 14 13  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,744)
1745

>  <Formula> (1,744)
C20H26N2O2

>  <MolWeight> (1,744)
326.43264

>  <PCAT_CMPD_ID> (1,744)
WAY-642385

>  <CNC_ID> (1,744)
359324123

>  <transfer_container_id> (1,744)
PTN000000065

>  <COMPOUND_NUMBER> (1,744)
WAY-642385

>  <LOCATION_CODE> (1,744)
PTNCS

>  <AMOUNT_CURRENT> (1,744)
32.5

$$$$
WAY-643630
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,745)
1746

>  <Formula> (1,745)
C10H10O2S2

>  <MolWeight> (1,745)
226.3152

>  <PCAT_CMPD_ID> (1,745)
WAY-643630

>  <CNC_ID> (1,745)
359325368

>  <transfer_container_id> (1,745)
PTN000000065

>  <COMPOUND_NUMBER> (1,745)
WAY-643630

>  <LOCATION_CODE> (1,745)
PTNCS

>  <AMOUNT_CURRENT> (1,745)
32.3

$$$$
WAY-624049
csChFnd80/10101909502D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,746)
1747

>  <Formula> (1,746)
C26H23N3O4

>  <MolWeight> (1,746)
441.47852

>  <PCAT_CMPD_ID> (1,746)
WAY-624049

>  <CNC_ID> (1,746)
359322669

>  <transfer_container_id> (1,746)
PTN000000065

>  <COMPOUND_NUMBER> (1,746)
WAY-624049

>  <LOCATION_CODE> (1,746)
PTNCS

>  <AMOUNT_CURRENT> (1,746)
32

$$$$
WAY-603746
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 12  9  1  0  0  0  0
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 15  8  2  0  0  0  0
 16  4  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
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  3  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,747)
1748

>  <Formula> (1,747)
C14H16ClN3OS

>  <MolWeight> (1,747)
309.81434

>  <PCAT_CMPD_ID> (1,747)
WAY-603746

>  <CNC_ID> (1,747)
359401582

>  <transfer_container_id> (1,747)
PTN000000072

>  <COMPOUND_NUMBER> (1,747)
WAY-603746

>  <LOCATION_CODE> (1,747)
PTNCS

>  <AMOUNT_CURRENT> (1,747)
32.4

$$$$
WAY-603844
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  1  0  0  0  0
 14 17  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17  8  2  0  0  0  0
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 19  7  2  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
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 14  6  2  0  0  0  0
 18  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,748)
1749

>  <Formula> (1,748)
C21H21ClN4

>  <MolWeight> (1,748)
364.87124

>  <PCAT_CMPD_ID> (1,748)
WAY-603844

>  <CNC_ID> (1,748)
359401680

>  <transfer_container_id> (1,748)
PTN000000072

>  <COMPOUND_NUMBER> (1,748)
WAY-603844

>  <LOCATION_CODE> (1,748)
PTNCS

>  <AMOUNT_CURRENT> (1,748)
32.5

$$$$
WAY-604850
csChFnd80/10101909502D

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 10  5  2  0  0  0  0
 11  3  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 16  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  9  8  1  0  0  0  0
  7  4  1  0  0  0  0
 20 19  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,749)
1750

>  <Formula> (1,749)
C17H14N4OS

>  <MolWeight> (1,749)
322.38426

>  <PCAT_CMPD_ID> (1,749)
WAY-604850

>  <CNC_ID> (1,749)
359402687

>  <transfer_container_id> (1,749)
PTN000000072

>  <COMPOUND_NUMBER> (1,749)
WAY-604850

>  <LOCATION_CODE> (1,749)
PTNCS

>  <AMOUNT_CURRENT> (1,749)
32.1

$$$$
WAY-637264
csChFnd80/10101909502D

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 16  9  2  0  0  0  0
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 27 26  1  0  0  0  0
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M  END
>  <Mol_ID> (1,750)
1751

>  <Formula> (1,750)
C21H20FN3O2

>  <MolWeight> (1,750)
365.4008032

>  <PCAT_CMPD_ID> (1,750)
WAY-637264

>  <CNC_ID> (1,750)
359404242

>  <transfer_container_id> (1,750)
PTN000000072

>  <COMPOUND_NUMBER> (1,750)
WAY-637264

>  <LOCATION_CODE> (1,750)
PTNCS

>  <AMOUNT_CURRENT> (1,750)
32.3

$$$$
WAY-656280
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
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 17 20  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,751)
1752

>  <Formula> (1,751)
C14H9BrN2O2S2

>  <MolWeight> (1,751)
381.26746

>  <PCAT_CMPD_ID> (1,751)
WAY-656280

>  <CNC_ID> (1,751)
359405995

>  <transfer_container_id> (1,751)
PTN000000072

>  <COMPOUND_NUMBER> (1,751)
WAY-656280

>  <LOCATION_CODE> (1,751)
PTNCS

>  <AMOUNT_CURRENT> (1,751)
29.49

$$$$
WAY-657839
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,752)
1753

>  <Formula> (1,752)
C10H10ClN3S3

>  <MolWeight> (1,752)
303.8545

>  <PCAT_CMPD_ID> (1,752)
WAY-657839

>  <CNC_ID> (1,752)
359407552

>  <transfer_container_id> (1,752)
PTN000000072

>  <COMPOUND_NUMBER> (1,752)
WAY-657839

>  <LOCATION_CODE> (1,752)
PTNCS

>  <AMOUNT_CURRENT> (1,752)
32.4

$$$$
WAY-323695
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,753)
1754

>  <Formula> (1,753)
C20H16O3S

>  <MolWeight> (1,753)
336.40424

>  <PCAT_CMPD_ID> (1,753)
WAY-323695

>  <CNC_ID> (1,753)
359410441

>  <transfer_container_id> (1,753)
PTN000000073

>  <COMPOUND_NUMBER> (1,753)
WAY-323695

>  <LOCATION_CODE> (1,753)
PTNCS

>  <AMOUNT_CURRENT> (1,753)
32.5

$$$$
WAY-323696
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,754)
1755

>  <Formula> (1,754)
C16H14N2O2

>  <MolWeight> (1,754)
266.29456

>  <PCAT_CMPD_ID> (1,754)
WAY-323696

>  <CNC_ID> (1,754)
359410442

>  <transfer_container_id> (1,754)
PTN000000073

>  <COMPOUND_NUMBER> (1,754)
WAY-323696

>  <LOCATION_CODE> (1,754)
PTNCS

>  <AMOUNT_CURRENT> (1,754)
32.5

$$$$
WAY-323705-A
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,755)
1756

>  <Formula> (1,755)
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>  <MolWeight> (1,755)
189.29666

>  <PCAT_CMPD_ID> (1,755)
WAY-323705-A

>  <CNC_ID> (1,755)
359410450

>  <transfer_container_id> (1,755)
PTN000000073

>  <COMPOUND_NUMBER> (1,755)
WAY-323705-A

>  <LOCATION_CODE> (1,755)
PTNCS

>  <AMOUNT_CURRENT> (1,755)
32.5

$$$$
WAY-323754
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,756)
1757

>  <Formula> (1,756)
C16H21NO2S

>  <MolWeight> (1,756)
291.40844

>  <PCAT_CMPD_ID> (1,756)
WAY-323754

>  <CNC_ID> (1,756)
359410498

>  <transfer_container_id> (1,756)
PTN000000073

>  <COMPOUND_NUMBER> (1,756)
WAY-323754

>  <LOCATION_CODE> (1,756)
PTNCS

>  <AMOUNT_CURRENT> (1,756)
32.5

$$$$
WAY-323758
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,757)
1758

>  <Formula> (1,757)
C13H13NO4S

>  <MolWeight> (1,757)
279.31162

>  <PCAT_CMPD_ID> (1,757)
WAY-323758

>  <CNC_ID> (1,757)
359410502

>  <transfer_container_id> (1,757)
PTN000000073

>  <COMPOUND_NUMBER> (1,757)
WAY-323758

>  <LOCATION_CODE> (1,757)
PTNCS

>  <AMOUNT_CURRENT> (1,757)
32.5

$$$$
WAY-323780
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,758)
1759

>  <Formula> (1,758)
C22H19NO3

>  <MolWeight> (1,758)
345.39116

>  <PCAT_CMPD_ID> (1,758)
WAY-323780

>  <CNC_ID> (1,758)
359410522

>  <transfer_container_id> (1,758)
PTN000000073

>  <COMPOUND_NUMBER> (1,758)
WAY-323780

>  <LOCATION_CODE> (1,758)
PTNCS

>  <AMOUNT_CURRENT> (1,758)
32.5

$$$$
WAY-323875
csChFnd80/10101909502D

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 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,759)
1760

>  <Formula> (1,759)
C18H19NO4

>  <MolWeight> (1,759)
313.34776

>  <PCAT_CMPD_ID> (1,759)
WAY-323875

>  <CNC_ID> (1,759)
359410616

>  <transfer_container_id> (1,759)
PTN000000073

>  <COMPOUND_NUMBER> (1,759)
WAY-323875

>  <LOCATION_CODE> (1,759)
PTNCS

>  <AMOUNT_CURRENT> (1,759)
32.5

$$$$
WAY-323938
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,760)
1761

>  <Formula> (1,760)
C12H12N4O3

>  <MolWeight> (1,760)
260.24868

>  <PCAT_CMPD_ID> (1,760)
WAY-323938

>  <CNC_ID> (1,760)
359410678

>  <transfer_container_id> (1,760)
PTN000000073

>  <COMPOUND_NUMBER> (1,760)
WAY-323938

>  <LOCATION_CODE> (1,760)
PTNCS

>  <AMOUNT_CURRENT> (1,760)
32.5

$$$$
WAY-324198
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,761)
1762

>  <Formula> (1,761)
C23H22N2O5S

>  <MolWeight> (1,761)
438.49618

>  <PCAT_CMPD_ID> (1,761)
WAY-324198

>  <CNC_ID> (1,761)
359410935

>  <transfer_container_id> (1,761)
PTN000000073

>  <COMPOUND_NUMBER> (1,761)
WAY-324198

>  <LOCATION_CODE> (1,761)
PTNCS

>  <AMOUNT_CURRENT> (1,761)
32.5

$$$$
WAY-324345
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,762)
1763

>  <Formula> (1,762)
C14H10N4O2

>  <MolWeight> (1,762)
266.2548

>  <PCAT_CMPD_ID> (1,762)
WAY-324345

>  <CNC_ID> (1,762)
359411081

>  <transfer_container_id> (1,762)
PTN000000073

>  <COMPOUND_NUMBER> (1,762)
WAY-324345

>  <LOCATION_CODE> (1,762)
PTNCS

>  <AMOUNT_CURRENT> (1,762)
32.5

$$$$
WAY-324354
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
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 14 11  1  0  0  0  0
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 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,763)
1764

>  <Formula> (1,763)
C23H19N3O2

>  <MolWeight> (1,763)
369.41586

>  <PCAT_CMPD_ID> (1,763)
WAY-324354

>  <CNC_ID> (1,763)
359411090

>  <transfer_container_id> (1,763)
PTN000000073

>  <COMPOUND_NUMBER> (1,763)
WAY-324354

>  <LOCATION_CODE> (1,763)
PTNCS

>  <AMOUNT_CURRENT> (1,763)
32.5

$$$$
WAY-324421-A
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,764)
1765

>  <Formula> (1,764)
C14H15N5S

>  <MolWeight> (1,764)
285.3674

>  <PCAT_CMPD_ID> (1,764)
WAY-324421-A

>  <CNC_ID> (1,764)
359411156

>  <transfer_container_id> (1,764)
PTN000000073

>  <COMPOUND_NUMBER> (1,764)
WAY-324421-A

>  <LOCATION_CODE> (1,764)
PTNCS

>  <AMOUNT_CURRENT> (1,764)
32.5

$$$$
WAY-324423
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  9  2  0  0  0  0
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 13  2  1  0  0  0  0
 14  7  1  0  0  0  0
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 16  6  1  0  0  0  0
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  5  3  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,765)
1766

>  <Formula> (1,765)
C16H17NO4

>  <MolWeight> (1,765)
287.31048

>  <PCAT_CMPD_ID> (1,765)
WAY-324423

>  <CNC_ID> (1,765)
359411158

>  <transfer_container_id> (1,765)
PTN000000073

>  <COMPOUND_NUMBER> (1,765)
WAY-324423

>  <LOCATION_CODE> (1,765)
PTNCS

>  <AMOUNT_CURRENT> (1,765)
32.5

$$$$
WAY-324448
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
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 20  9  1  0  0  0  0
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 25 24  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,766)
1767

>  <Formula> (1,766)
C21H26N2O2

>  <MolWeight> (1,766)
338.44334

>  <PCAT_CMPD_ID> (1,766)
WAY-324448

>  <CNC_ID> (1,766)
359411182

>  <transfer_container_id> (1,766)
PTN000000073

>  <COMPOUND_NUMBER> (1,766)
WAY-324448

>  <LOCATION_CODE> (1,766)
PTNCS

>  <AMOUNT_CURRENT> (1,766)
32.5

$$$$
WAY-324482-A
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 13  5  1  0  0  0  0
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 17  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,767)
1768

>  <Formula> (1,767)
C22H19NO3

>  <MolWeight> (1,767)
345.39116

>  <PCAT_CMPD_ID> (1,767)
WAY-324482-A

>  <CNC_ID> (1,767)
359411216

>  <transfer_container_id> (1,767)
PTN000000073

>  <COMPOUND_NUMBER> (1,767)
WAY-324482-A

>  <LOCATION_CODE> (1,767)
PTNCS

>  <AMOUNT_CURRENT> (1,767)
32.5

$$$$
WAY-324503
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,768)
1769

>  <Formula> (1,768)
C18H20N2O3S

>  <MolWeight> (1,768)
344.428

>  <PCAT_CMPD_ID> (1,768)
WAY-324503

>  <CNC_ID> (1,768)
359411237

>  <transfer_container_id> (1,768)
PTN000000073

>  <COMPOUND_NUMBER> (1,768)
WAY-324503

>  <LOCATION_CODE> (1,768)
PTNCS

>  <AMOUNT_CURRENT> (1,768)
32.5

$$$$
WAY-325032
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  1  1  0  0  0  0
 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,769)
1770

>  <Formula> (1,769)
C14H16N2O3S

>  <MolWeight> (1,769)
292.35344

>  <PCAT_CMPD_ID> (1,769)
WAY-325032

>  <CNC_ID> (1,769)
359411758

>  <transfer_container_id> (1,769)
PTN000000073

>  <COMPOUND_NUMBER> (1,769)
WAY-325032

>  <LOCATION_CODE> (1,769)
PTNCS

>  <AMOUNT_CURRENT> (1,769)
32.5

$$$$
WAY-325074
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
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 15  3  1  0  0  0  0
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 20  7  1  0  0  0  0
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 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,770)
1771

>  <Formula> (1,770)
C16H16N2O4

>  <MolWeight> (1,770)
300.30924

>  <PCAT_CMPD_ID> (1,770)
WAY-325074

>  <CNC_ID> (1,770)
359411799

>  <transfer_container_id> (1,770)
PTN000000073

>  <COMPOUND_NUMBER> (1,770)
WAY-325074

>  <LOCATION_CODE> (1,770)
PTNCS

>  <AMOUNT_CURRENT> (1,770)
32.5

$$$$
WAY-325075
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,771)
1772

>  <Formula> (1,771)
C15H10O5S

>  <MolWeight> (1,771)
302.3019

>  <PCAT_CMPD_ID> (1,771)
WAY-325075

>  <CNC_ID> (1,771)
359411800

>  <transfer_container_id> (1,771)
PTN000000073

>  <COMPOUND_NUMBER> (1,771)
WAY-325075

>  <LOCATION_CODE> (1,771)
PTNCS

>  <AMOUNT_CURRENT> (1,771)
32.5

$$$$
WAY-325076
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,772)
1773

>  <Formula> (1,772)
C23H22N2O5S

>  <MolWeight> (1,772)
438.49618

>  <PCAT_CMPD_ID> (1,772)
WAY-325076

>  <CNC_ID> (1,772)
359411801

>  <transfer_container_id> (1,772)
PTN000000073

>  <COMPOUND_NUMBER> (1,772)
WAY-325076

>  <LOCATION_CODE> (1,772)
PTNCS

>  <AMOUNT_CURRENT> (1,772)
32.5

$$$$
WAY-325261
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,773)
1774

>  <Formula> (1,773)
C19H18N4O2S

>  <MolWeight> (1,773)
366.43682

>  <PCAT_CMPD_ID> (1,773)
WAY-325261

>  <CNC_ID> (1,773)
359411982

>  <transfer_container_id> (1,773)
PTN000000073

>  <COMPOUND_NUMBER> (1,773)
WAY-325261

>  <LOCATION_CODE> (1,773)
PTNCS

>  <AMOUNT_CURRENT> (1,773)
32.5

$$$$
WAY-619258
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,774)
1775

>  <Formula> (1,774)
C10H9N3S

>  <MolWeight> (1,774)
203.26356

>  <PCAT_CMPD_ID> (1,774)
WAY-619258

>  <CNC_ID> (1,774)
359416235

>  <transfer_container_id> (1,774)
PTN000000073

>  <COMPOUND_NUMBER> (1,774)
WAY-619258

>  <LOCATION_CODE> (1,774)
PTNCS

>  <AMOUNT_CURRENT> (1,774)
32.4

$$$$
WAY-658709
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 15  5  1  0  0  0  0
 16  9  1  0  0  0  0
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 15 20  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,775)
1776

>  <Formula> (1,775)
C14H19N3O5S

>  <MolWeight> (1,775)
341.38276

>  <PCAT_CMPD_ID> (1,775)
WAY-658709

>  <CNC_ID> (1,775)
359418763

>  <transfer_container_id> (1,775)
PTN000000073

>  <COMPOUND_NUMBER> (1,775)
WAY-658709

>  <LOCATION_CODE> (1,775)
PTNCS

>  <AMOUNT_CURRENT> (1,775)
32.9

$$$$
WAY-659578
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
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  8  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,776)
1777

>  <Formula> (1,776)
C10H14N2O5S

>  <MolWeight> (1,776)
274.29356

>  <PCAT_CMPD_ID> (1,776)
WAY-659578

>  <CNC_ID> (1,776)
359419631

>  <transfer_container_id> (1,776)
PTN000000073

>  <COMPOUND_NUMBER> (1,776)
WAY-659578

>  <LOCATION_CODE> (1,776)
PTNCS

>  <AMOUNT_CURRENT> (1,776)
32.7

$$$$
WAY-659579
csChFnd80/10101909502D

 15 16  0  0  1  0  0  0  0  0999 V2000
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 15 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,777)
1778

>  <Formula> (1,777)
C12H18N2O

>  <MolWeight> (1,777)
206.28412

>  <PCAT_CMPD_ID> (1,777)
WAY-659579

>  <CNC_ID> (1,777)
359419632

>  <transfer_container_id> (1,777)
PTN000000073

>  <COMPOUND_NUMBER> (1,777)
WAY-659579

>  <LOCATION_CODE> (1,777)
PTNCS

>  <AMOUNT_CURRENT> (1,777)
32.9

$$$$
WAY-326247
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 13  2  1  0  0  0  0
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 15  4  1  0  0  0  0
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 23 22  1  0  0  0  0
 14 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,778)
1779

>  <Formula> (1,778)
C18H17BrN2OS

>  <MolWeight> (1,778)
389.30938

>  <PCAT_CMPD_ID> (1,778)
WAY-326247

>  <CNC_ID> (1,778)
359423221

>  <transfer_container_id> (1,778)
PTN000000074

>  <COMPOUND_NUMBER> (1,778)
WAY-326247

>  <LOCATION_CODE> (1,778)
PTNCS

>  <AMOUNT_CURRENT> (1,778)
32.5

$$$$
WAY-660491
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,779)
1780

>  <Formula> (1,779)
C17H15ClN2O4S

>  <MolWeight> (1,779)
378.83

>  <PCAT_CMPD_ID> (1,779)
WAY-660491

>  <CNC_ID> (1,779)
359431730

>  <transfer_container_id> (1,779)
PTN000000074

>  <COMPOUND_NUMBER> (1,779)
WAY-660491

>  <LOCATION_CODE> (1,779)
PTNCS

>  <AMOUNT_CURRENT> (1,779)
32.4

$$$$
WAY-660901
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  7  1  0  0  0  0
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 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,780)
1781

>  <Formula> (1,780)
C11H13N5O2S

>  <MolWeight> (1,780)
279.31822

>  <PCAT_CMPD_ID> (1,780)
WAY-660901

>  <CNC_ID> (1,780)
359432140

>  <transfer_container_id> (1,780)
PTN000000074

>  <COMPOUND_NUMBER> (1,780)
WAY-660901

>  <LOCATION_CODE> (1,780)
PTNCS

>  <AMOUNT_CURRENT> (1,780)
32

$$$$
WAY-331360
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  5  2  0  0  0  0
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 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
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 16  8  2  0  0  0  0
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 22 16  1  0  0  0  0
 23 18  1  0  0  0  0
  3  4  1  0  0  0  0
  9  8  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,781)
1782

>  <Formula> (1,781)
C17H20N4O2

>  <MolWeight> (1,781)
312.3663

>  <PCAT_CMPD_ID> (1,781)
WAY-331360

>  <CNC_ID> (1,781)
359318715

>  <transfer_container_id> (1,781)
PTN000000065

>  <COMPOUND_NUMBER> (1,781)
WAY-331360

>  <LOCATION_CODE> (1,781)
PTNCS

>  <AMOUNT_CURRENT> (1,781)
32.5

$$$$
WAY-331401
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 15  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,782)
1783

>  <Formula> (1,782)
C21H19FN2OS

>  <MolWeight> (1,782)
366.4517632

>  <PCAT_CMPD_ID> (1,782)
WAY-331401

>  <CNC_ID> (1,782)
359318754

>  <transfer_container_id> (1,782)
PTN000000065

>  <COMPOUND_NUMBER> (1,782)
WAY-331401

>  <LOCATION_CODE> (1,782)
PTNCS

>  <AMOUNT_CURRENT> (1,782)
32.5

$$$$
WAY-643577
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 12  1  1  0  0  0  0
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 20 14  2  0  0  0  0
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 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,783)
1784

>  <Formula> (1,783)
C21H17NO4

>  <MolWeight> (1,783)
347.36398

>  <PCAT_CMPD_ID> (1,783)
WAY-643577

>  <CNC_ID> (1,783)
359325315

>  <transfer_container_id> (1,783)
PTN000000065

>  <COMPOUND_NUMBER> (1,783)
WAY-643577

>  <LOCATION_CODE> (1,783)
PTNCS

>  <AMOUNT_CURRENT> (1,783)
32.8

$$$$
WAY-329885
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,784)
1785

>  <Formula> (1,784)
C18H16N4O3S2

>  <MolWeight> (1,784)
400.47464

>  <PCAT_CMPD_ID> (1,784)
WAY-329885

>  <CNC_ID> (1,784)
359317251

>  <transfer_container_id> (1,784)
PTN000000065

>  <COMPOUND_NUMBER> (1,784)
WAY-329885

>  <LOCATION_CODE> (1,784)
PTNCS

>  <AMOUNT_CURRENT> (1,784)
32.5

$$$$
CL-405332
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,785)
1786

>  <Formula> (1,785)
C24H26N2O3

>  <MolWeight> (1,785)
390.47484

>  <PCAT_CMPD_ID> (1,785)
CL-405332

>  <CNC_ID> (1,785)
359326719

>  <transfer_container_id> (1,785)
PTN000000067

>  <COMPOUND_NUMBER> (1,785)
CL-405332

>  <LOCATION_CODE> (1,785)
PTNCS

>  <AMOUNT_CURRENT> (1,785)
32.5

$$$$
WAY-313082
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,786)
1787

>  <Formula> (1,786)
C18H21NO5

>  <MolWeight> (1,786)
331.36304

>  <PCAT_CMPD_ID> (1,786)
WAY-313082

>  <CNC_ID> (1,786)
359328118

>  <transfer_container_id> (1,786)
PTN000000067

>  <COMPOUND_NUMBER> (1,786)
WAY-313082

>  <LOCATION_CODE> (1,786)
PTNCS

>  <AMOUNT_CURRENT> (1,786)
33.6

$$$$
WAY-312797
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,787)
1788

>  <Formula> (1,787)
C21H26N2O3

>  <MolWeight> (1,787)
354.44274

>  <PCAT_CMPD_ID> (1,787)
WAY-312797

>  <CNC_ID> (1,787)
359327834

>  <transfer_container_id> (1,787)
PTN000000067

>  <COMPOUND_NUMBER> (1,787)
WAY-312797

>  <LOCATION_CODE> (1,787)
PTNCS

>  <AMOUNT_CURRENT> (1,787)
33.7

$$$$
WAY-297523
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,788)
1789

>  <Formula> (1,788)
C17H22N2O3S

>  <MolWeight> (1,788)
334.43318

>  <PCAT_CMPD_ID> (1,788)
WAY-297523

>  <CNC_ID> (1,788)
359343967

>  <transfer_container_id> (1,788)
PTN000000068

>  <COMPOUND_NUMBER> (1,788)
WAY-297523

>  <LOCATION_CODE> (1,788)
PTNCS

>  <AMOUNT_CURRENT> (1,788)
33.3

$$$$
WAY-336573
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 16  1  0  0  0  0
 14  7  2  0  0  0  0
 15  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
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 23 21  1  0  0  0  0
  3  4  1  0  0  0  0
 19 14  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,789)
1790

>  <Formula> (1,789)
C18H19N3O2

>  <MolWeight> (1,789)
309.36236

>  <PCAT_CMPD_ID> (1,789)
WAY-336573

>  <CNC_ID> (1,789)
359345831

>  <transfer_container_id> (1,789)
PTN000000074

>  <COMPOUND_NUMBER> (1,789)
WAY-336573

>  <LOCATION_CODE> (1,789)
PTNCS

>  <AMOUNT_CURRENT> (1,789)
32.8

$$$$
CL-393235
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
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 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
  8 12  1  0  0  0  0
 10 11  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,790)
1791

>  <Formula> (1,790)
C18H11NO2S

>  <MolWeight> (1,790)
305.35044

>  <PCAT_CMPD_ID> (1,790)
CL-393235

>  <CNC_ID> (1,790)
359367407

>  <transfer_container_id> (1,790)
PTN000000070

>  <COMPOUND_NUMBER> (1,790)
CL-393235

>  <LOCATION_CODE> (1,790)
PTNCS

>  <AMOUNT_CURRENT> (1,790)
33.4

$$$$
WAY-234993
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
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 16  5  1  0  0  0  0
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 23 22  1  0  0  0  0
 19 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,791)
1792

>  <Formula> (1,791)
C18H20N2O3

>  <MolWeight> (1,791)
312.363

>  <PCAT_CMPD_ID> (1,791)
WAY-234993

>  <CNC_ID> (1,791)
359367838

>  <transfer_container_id> (1,791)
PTN000000070

>  <COMPOUND_NUMBER> (1,791)
WAY-234993

>  <LOCATION_CODE> (1,791)
PTNCS

>  <AMOUNT_CURRENT> (1,791)
33.4

$$$$
WAY-300643
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 12 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,792)
1793

>  <Formula> (1,792)
C14H21N3O4S

>  <MolWeight> (1,792)
327.39924

>  <PCAT_CMPD_ID> (1,792)
WAY-300643

>  <CNC_ID> (1,792)
359371286

>  <transfer_container_id> (1,792)
PTN000000070

>  <COMPOUND_NUMBER> (1,792)
WAY-300643

>  <LOCATION_CODE> (1,792)
PTNCS

>  <AMOUNT_CURRENT> (1,792)
33

$$$$
WAY-300786
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,793)
1794

>  <Formula> (1,793)
C13H17N3O5S

>  <MolWeight> (1,793)
327.35618

>  <PCAT_CMPD_ID> (1,793)
WAY-300786

>  <CNC_ID> (1,793)
359371426

>  <transfer_container_id> (1,793)
PTN000000070

>  <COMPOUND_NUMBER> (1,793)
WAY-300786

>  <LOCATION_CODE> (1,793)
PTNCS

>  <AMOUNT_CURRENT> (1,793)
33.5

$$$$
WAY-388379
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12 14  1  0  0  0  0
 13 21  2  0  0  0  0
 14 10  2  0  0  0  0
 15  9  1  0  0  0  0
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 17 12  1  0  0  0  0
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  3  5  1  0  0  0  0
 15 12  2  0  0  0  0
 20 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,794)
1795

>  <Formula> (1,794)
C15H10Cl2N2OS

>  <MolWeight> (1,794)
337.2237

>  <PCAT_CMPD_ID> (1,794)
WAY-388379

>  <CNC_ID> (1,794)
359372518

>  <transfer_container_id> (1,794)
PTN000000070

>  <COMPOUND_NUMBER> (1,794)
WAY-388379

>  <LOCATION_CODE> (1,794)
PTNCS

>  <AMOUNT_CURRENT> (1,794)
29.4

$$$$
WAY-388410
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
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 17  6  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
  5  6  1  0  0  0  0
  7 11  2  0  0  0  0
 10 15  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,795)
1796

>  <Formula> (1,795)
C19H20N4OS

>  <MolWeight> (1,795)
352.4533

>  <PCAT_CMPD_ID> (1,795)
WAY-388410

>  <CNC_ID> (1,795)
359372550

>  <transfer_container_id> (1,795)
PTN000000070

>  <COMPOUND_NUMBER> (1,795)
WAY-388410

>  <LOCATION_CODE> (1,795)
PTNCS

>  <AMOUNT_CURRENT> (1,795)
29.4

$$$$
WAY-388433
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
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 14  6  2  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  2  0  0  0  0
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 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22 15  1  0  0  0  0
  5  7  2  0  0  0  0
 18 19  1  0  0  0  0
 16  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,796)
1797

>  <Formula> (1,796)
C15H18ClN3O2S

>  <MolWeight> (1,796)
339.84032

>  <PCAT_CMPD_ID> (1,796)
WAY-388433

>  <CNC_ID> (1,796)
359372573

>  <transfer_container_id> (1,796)
PTN000000070

>  <COMPOUND_NUMBER> (1,796)
WAY-388433

>  <LOCATION_CODE> (1,796)
PTNCS

>  <AMOUNT_CURRENT> (1,796)
32.3

$$$$
WAY-388467
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
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 13 20  1  0  0  0  0
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 15  4  1  0  0  0  0
 16 17  1  0  0  0  0
 17  6  1  0  0  0  0
 18 16  1  0  0  0  0
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 23 21  1  0  0  0  0
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 25 24  1  0  0  0  0
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 14  9  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,797)
1798

>  <Formula> (1,797)
C19H16N2O3S

>  <MolWeight> (1,797)
352.40694

>  <PCAT_CMPD_ID> (1,797)
WAY-388467

>  <CNC_ID> (1,797)
359372605

>  <transfer_container_id> (1,797)
PTN000000070

>  <COMPOUND_NUMBER> (1,797)
WAY-388467

>  <LOCATION_CODE> (1,797)
PTNCS

>  <AMOUNT_CURRENT> (1,797)
29.1

$$$$
WAY-388567
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
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 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,798)
1799

>  <Formula> (1,798)
C19H15ClN4S2

>  <MolWeight> (1,798)
398.9322

>  <PCAT_CMPD_ID> (1,798)
WAY-388567

>  <CNC_ID> (1,798)
359372705

>  <transfer_container_id> (1,798)
PTN000000070

>  <COMPOUND_NUMBER> (1,798)
WAY-388567

>  <LOCATION_CODE> (1,798)
PTNCS

>  <AMOUNT_CURRENT> (1,798)
32.4

$$$$
WAY-388592
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
 11 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13  9  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  2  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21 23  1  0  0  0  0
 22  7  1  0  0  0  0
 23 22  1  0  0  0  0
 24 20  1  0  0  0  0
  4  3  1  0  0  0  0
 11 14  2  0  0  0  0
 10 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,799)
1800

>  <Formula> (1,799)
C17H16BrN3O2S

>  <MolWeight> (1,799)
406.29684

>  <PCAT_CMPD_ID> (1,799)
WAY-388592

>  <CNC_ID> (1,799)
359372730

>  <transfer_container_id> (1,799)
PTN000000070

>  <COMPOUND_NUMBER> (1,799)
WAY-388592

>  <LOCATION_CODE> (1,799)
PTNCS

>  <AMOUNT_CURRENT> (1,799)
30.3

$$$$
WAY-388614
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11 15  1  0  0  0  0
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 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 20  1  0  0  0  0
 19  5  1  0  0  0  0
 20 19  1  0  0  0  0
 21  6  2  0  0  0  0
 22  6  1  0  0  0  0
 23 22  2  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
  5  9  1  0  0  0  0
 24 25  2  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,800)
1801

>  <Formula> (1,800)
C18H21ClN2O3S

>  <MolWeight> (1,800)
380.88894

>  <PCAT_CMPD_ID> (1,800)
WAY-388614

>  <CNC_ID> (1,800)
359372752

>  <transfer_container_id> (1,800)
PTN000000070

>  <COMPOUND_NUMBER> (1,800)
WAY-388614

>  <LOCATION_CODE> (1,800)
PTNCS

>  <AMOUNT_CURRENT> (1,800)
32.9

$$$$
WAY-388965
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  3  6  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,801)
1802

>  <Formula> (1,801)
C13H21NO3

>  <MolWeight> (1,801)
239.31074

>  <PCAT_CMPD_ID> (1,801)
WAY-388965

>  <CNC_ID> (1,801)
359373102

>  <transfer_container_id> (1,801)
PTN000000070

>  <COMPOUND_NUMBER> (1,801)
WAY-388965

>  <LOCATION_CODE> (1,801)
PTNCS

>  <AMOUNT_CURRENT> (1,801)
32.3

$$$$
WAY-117884
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,802)
1803

>  <Formula> (1,802)
C14H15NO5S

>  <MolWeight> (1,802)
309.3376

>  <PCAT_CMPD_ID> (1,802)
WAY-117884

>  <CNC_ID> (1,802)
359407842

>  <transfer_container_id> (1,802)
PTN000000073

>  <COMPOUND_NUMBER> (1,802)
WAY-117884

>  <LOCATION_CODE> (1,802)
PTNCS

>  <AMOUNT_CURRENT> (1,802)
33.4

$$$$
WAY-215633
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,803)
1804

>  <Formula> (1,803)
C14H16ClN3O

>  <MolWeight> (1,803)
277.74934

>  <PCAT_CMPD_ID> (1,803)
WAY-215633

>  <CNC_ID> (1,803)
359420141

>  <transfer_container_id> (1,803)
PTN000000074

>  <COMPOUND_NUMBER> (1,803)
WAY-215633

>  <LOCATION_CODE> (1,803)
PTNCS

>  <AMOUNT_CURRENT> (1,803)
33.1

$$$$
GI-515920
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,804)
1805

>  <Formula> (1,804)
C13H11NO2

>  <MolWeight> (1,804)
213.23194

>  <PCAT_CMPD_ID> (1,804)
GI-515920

>  <CNC_ID> (1,804)
359420037

>  <transfer_container_id> (1,804)
PTN000000074

>  <COMPOUND_NUMBER> (1,804)
GI-515920

>  <LOCATION_CODE> (1,804)
PTNCS

>  <AMOUNT_CURRENT> (1,804)
33.3

$$$$
WAY-113793
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,805)
1806

>  <Formula> (1,805)
C15H17N5

>  <MolWeight> (1,805)
267.32898

>  <PCAT_CMPD_ID> (1,805)
WAY-113793

>  <CNC_ID> (1,805)
359420078

>  <transfer_container_id> (1,805)
PTN000000074

>  <COMPOUND_NUMBER> (1,805)
WAY-113793

>  <LOCATION_CODE> (1,805)
PTNCS

>  <AMOUNT_CURRENT> (1,805)
33.1

$$$$
WAY-307643
csChFnd80/10101909502D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,806)
1807

>  <Formula> (1,806)
C5H7N3O2S

>  <MolWeight> (1,806)
173.19298

>  <PCAT_CMPD_ID> (1,806)
WAY-307643

>  <CNC_ID> (1,806)
359420498

>  <transfer_container_id> (1,806)
PTN000000074

>  <COMPOUND_NUMBER> (1,806)
WAY-307643

>  <LOCATION_CODE> (1,806)
PTNCS

>  <AMOUNT_CURRENT> (1,806)
33.7

$$$$
WAY-307652
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,807)
1808

>  <Formula> (1,807)
C18H16N2O2

>  <MolWeight> (1,807)
292.33184

>  <PCAT_CMPD_ID> (1,807)
WAY-307652

>  <CNC_ID> (1,807)
359420507

>  <transfer_container_id> (1,807)
PTN000000074

>  <COMPOUND_NUMBER> (1,807)
WAY-307652

>  <LOCATION_CODE> (1,807)
PTNCS

>  <AMOUNT_CURRENT> (1,807)
33.5

$$$$
WAY-308062
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,808)
1809

>  <Formula> (1,808)
C17H21N3OS

>  <MolWeight> (1,808)
315.43314

>  <PCAT_CMPD_ID> (1,808)
WAY-308062

>  <CNC_ID> (1,808)
359420916

>  <transfer_container_id> (1,808)
PTN000000074

>  <COMPOUND_NUMBER> (1,808)
WAY-308062

>  <LOCATION_CODE> (1,808)
PTNCS

>  <AMOUNT_CURRENT> (1,808)
33.7

$$$$
WAY-308102
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,809)
1810

>  <Formula> (1,809)
C15H18N2O3

>  <MolWeight> (1,809)
274.31502

>  <PCAT_CMPD_ID> (1,809)
WAY-308102

>  <CNC_ID> (1,809)
359420956

>  <transfer_container_id> (1,809)
PTN000000074

>  <COMPOUND_NUMBER> (1,809)
WAY-308102

>  <LOCATION_CODE> (1,809)
PTNCS

>  <AMOUNT_CURRENT> (1,809)
33.6

$$$$
WAY-308520
csChFnd80/10101909502D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,810)
1811

>  <Formula> (1,810)
C20H12FNO2

>  <MolWeight> (1,810)
317.3131832

>  <PCAT_CMPD_ID> (1,810)
WAY-308520

>  <CNC_ID> (1,810)
359421373

>  <transfer_container_id> (1,810)
PTN000000074

>  <COMPOUND_NUMBER> (1,810)
WAY-308520

>  <LOCATION_CODE> (1,810)
PTNCS

>  <AMOUNT_CURRENT> (1,810)
33

$$$$
WAY-308564
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,811)
1812

>  <Formula> (1,811)
C28H31N3O2

>  <MolWeight> (1,811)
441.56464

>  <PCAT_CMPD_ID> (1,811)
WAY-308564

>  <CNC_ID> (1,811)
359421417

>  <transfer_container_id> (1,811)
PTN000000074

>  <COMPOUND_NUMBER> (1,811)
WAY-308564

>  <LOCATION_CODE> (1,811)
PTNCS

>  <AMOUNT_CURRENT> (1,811)
33.1

$$$$
WAY-308579
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,812)
1813

>  <Formula> (1,812)
C20H18N4O3S

>  <MolWeight> (1,812)
394.44692

>  <PCAT_CMPD_ID> (1,812)
WAY-308579

>  <CNC_ID> (1,812)
359421432

>  <transfer_container_id> (1,812)
PTN000000074

>  <COMPOUND_NUMBER> (1,812)
WAY-308579

>  <LOCATION_CODE> (1,812)
PTNCS

>  <AMOUNT_CURRENT> (1,812)
33.3

$$$$
WAY-308635
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,813)
1814

>  <Formula> (1,813)
C26H22O3

>  <MolWeight> (1,813)
382.45108

>  <PCAT_CMPD_ID> (1,813)
WAY-308635

>  <CNC_ID> (1,813)
359421488

>  <transfer_container_id> (1,813)
PTN000000074

>  <COMPOUND_NUMBER> (1,813)
WAY-308635

>  <LOCATION_CODE> (1,813)
PTNCS

>  <AMOUNT_CURRENT> (1,813)
33.1

$$$$
WAY-308968
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,814)
1815

>  <Formula> (1,814)
C10H8BrN5

>  <MolWeight> (1,814)
278.10802

>  <PCAT_CMPD_ID> (1,814)
WAY-308968

>  <CNC_ID> (1,814)
359421821

>  <transfer_container_id> (1,814)
PTN000000074

>  <COMPOUND_NUMBER> (1,814)
WAY-308968

>  <LOCATION_CODE> (1,814)
PTNCS

>  <AMOUNT_CURRENT> (1,814)
33.6

$$$$
WAY-309317
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,815)
1816

>  <Formula> (1,815)
C18H15NO6

>  <MolWeight> (1,815)
341.3148

>  <PCAT_CMPD_ID> (1,815)
WAY-309317

>  <CNC_ID> (1,815)
359422169

>  <transfer_container_id> (1,815)
PTN000000074

>  <COMPOUND_NUMBER> (1,815)
WAY-309317

>  <LOCATION_CODE> (1,815)
PTNCS

>  <AMOUNT_CURRENT> (1,815)
33

$$$$
WAY-309440
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,816)
1817

>  <Formula> (1,816)
C22H20FNO6

>  <MolWeight> (1,816)
413.3957032

>  <PCAT_CMPD_ID> (1,816)
WAY-309440

>  <CNC_ID> (1,816)
359422292

>  <transfer_container_id> (1,816)
PTN000000074

>  <COMPOUND_NUMBER> (1,816)
WAY-309440

>  <LOCATION_CODE> (1,816)
PTNCS

>  <AMOUNT_CURRENT> (1,816)
33.7

$$$$
WAY-314045
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,817)
1818

>  <Formula> (1,817)
C18H15NO5

>  <MolWeight> (1,817)
325.3154

>  <PCAT_CMPD_ID> (1,817)
WAY-314045

>  <CNC_ID> (1,817)
359329081

>  <transfer_container_id> (1,817)
PTN000000067

>  <COMPOUND_NUMBER> (1,817)
WAY-314045

>  <LOCATION_CODE> (1,817)
PTNCS

>  <AMOUNT_CURRENT> (1,817)
33

$$$$
WAY-313039
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
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 14  3  2  0  0  0  0
 15  1  1  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
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 12 10  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,818)
1819

>  <Formula> (1,818)
C16H17N3O2S

>  <MolWeight> (1,818)
315.39008

>  <PCAT_CMPD_ID> (1,818)
WAY-313039

>  <CNC_ID> (1,818)
359328076

>  <transfer_container_id> (1,818)
PTN000000067

>  <COMPOUND_NUMBER> (1,818)
WAY-313039

>  <LOCATION_CODE> (1,818)
PTNCS

>  <AMOUNT_CURRENT> (1,818)
33.1

$$$$
GI-558635
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,819)
1820

>  <Formula> (1,819)
C19H22N2O6

>  <MolWeight> (1,819)
374.38778

>  <PCAT_CMPD_ID> (1,819)
GI-558635

>  <CNC_ID> (1,819)
359339988

>  <transfer_container_id> (1,819)
PTN000000068

>  <COMPOUND_NUMBER> (1,819)
GI-558635

>  <LOCATION_CODE> (1,819)
PTNCS

>  <AMOUNT_CURRENT> (1,819)
33.5

$$$$
WAY-227193
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 15  2  1  0  0  0  0
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,820)
1821

>  <Formula> (1,820)
C16H20O4

>  <MolWeight> (1,820)
276.3276

>  <PCAT_CMPD_ID> (1,820)
WAY-227193

>  <CNC_ID> (1,820)
359340194

>  <transfer_container_id> (1,820)
PTN000000068

>  <COMPOUND_NUMBER> (1,820)
WAY-227193

>  <LOCATION_CODE> (1,820)
PTNCS

>  <AMOUNT_CURRENT> (1,820)
33.3

$$$$
WAY-231128
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 13 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,821)
1822

>  <Formula> (1,821)
C9H7ClN4O2S

>  <MolWeight> (1,821)
270.69548

>  <PCAT_CMPD_ID> (1,821)
WAY-231128

>  <CNC_ID> (1,821)
359340219

>  <transfer_container_id> (1,821)
PTN000000068

>  <COMPOUND_NUMBER> (1,821)
WAY-231128

>  <LOCATION_CODE> (1,821)
PTNCS

>  <AMOUNT_CURRENT> (1,821)
33.2

$$$$
WAY-231985
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,822)
1823

>  <Formula> (1,822)
C18H18Cl2N2O3

>  <MolWeight> (1,822)
381.25312

>  <PCAT_CMPD_ID> (1,822)
WAY-231985

>  <CNC_ID> (1,822)
359340240

>  <transfer_container_id> (1,822)
PTN000000068

>  <COMPOUND_NUMBER> (1,822)
WAY-231985

>  <LOCATION_CODE> (1,822)
PTNCS

>  <AMOUNT_CURRENT> (1,822)
33

$$$$
WAY-234790
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,823)
1824

>  <Formula> (1,823)
C22H22N4O3

>  <MolWeight> (1,823)
390.43508

>  <PCAT_CMPD_ID> (1,823)
WAY-234790

>  <CNC_ID> (1,823)
359340278

>  <transfer_container_id> (1,823)
PTN000000068

>  <COMPOUND_NUMBER> (1,823)
WAY-234790

>  <LOCATION_CODE> (1,823)
PTNCS

>  <AMOUNT_CURRENT> (1,823)
29.2

$$$$
WAY-236007
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 16 15  1  0  0  0  0
 23 17  2  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,824)
1825

>  <Formula> (1,824)
C21H24N2O2

>  <MolWeight> (1,824)
336.42746

>  <PCAT_CMPD_ID> (1,824)
WAY-236007

>  <CNC_ID> (1,824)
359340287

>  <transfer_container_id> (1,824)
PTN000000068

>  <COMPOUND_NUMBER> (1,824)
WAY-236007

>  <LOCATION_CODE> (1,824)
PTNCS

>  <AMOUNT_CURRENT> (1,824)
28.4

$$$$
WAY-268837-A
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,825)
1826

>  <Formula> (1,825)
C10H15N3

>  <MolWeight> (1,825)
177.2462

>  <PCAT_CMPD_ID> (1,825)
WAY-268837-A

>  <CNC_ID> (1,825)
359340384

>  <transfer_container_id> (1,825)
PTN000000068

>  <COMPOUND_NUMBER> (1,825)
WAY-268837-A

>  <LOCATION_CODE> (1,825)
PTNCS

>  <AMOUNT_CURRENT> (1,825)
33.1

$$$$
WAY-297115
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,826)
1827

>  <Formula> (1,826)
C13H22N2O2

>  <MolWeight> (1,826)
238.32598

>  <PCAT_CMPD_ID> (1,826)
WAY-297115

>  <CNC_ID> (1,826)
359343559

>  <transfer_container_id> (1,826)
PTN000000068

>  <COMPOUND_NUMBER> (1,826)
WAY-297115

>  <LOCATION_CODE> (1,826)
PTNCS

>  <AMOUNT_CURRENT> (1,826)
33.3

$$$$
WAY-297274
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,827)
1828

>  <Formula> (1,827)
C17H17NO4

>  <MolWeight> (1,827)
299.32118

>  <PCAT_CMPD_ID> (1,827)
WAY-297274

>  <CNC_ID> (1,827)
359343718

>  <transfer_container_id> (1,827)
PTN000000068

>  <COMPOUND_NUMBER> (1,827)
WAY-297274

>  <LOCATION_CODE> (1,827)
PTNCS

>  <AMOUNT_CURRENT> (1,827)
33.3

$$$$
WAY-340236
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,828)
1829

>  <Formula> (1,828)
C23H21N3O4

>  <MolWeight> (1,828)
403.43054

>  <PCAT_CMPD_ID> (1,828)
WAY-340236

>  <CNC_ID> (1,828)
359425371

>  <transfer_container_id> (1,828)
PTN000000074

>  <COMPOUND_NUMBER> (1,828)
WAY-340236

>  <LOCATION_CODE> (1,828)
PTNCS

>  <AMOUNT_CURRENT> (1,828)
32.1

$$$$
WAY-346644
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,829)
1830

>  <Formula> (1,829)
C12H8O3S

>  <MolWeight> (1,829)
232.25512

>  <PCAT_CMPD_ID> (1,829)
WAY-346644

>  <CNC_ID> (1,829)
359434527

>  <transfer_container_id> (1,829)
PTN000000075

>  <COMPOUND_NUMBER> (1,829)
WAY-346644

>  <LOCATION_CODE> (1,829)
PTNCS

>  <AMOUNT_CURRENT> (1,829)
29.6

$$$$
WAY-348065
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   15.4000  -10.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  0  0  0  0
 11  4  1  0  0  0  0
 12  1  1  0  0  0  0
 13  2  1  0  0  0  0
 14 10  2  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19  7  1  0  0  0  0
 20  8  1  0  0  0  0
 21 12  2  0  0  0  0
 22 12  1  0  0  0  0
 23 13  2  0  0  0  0
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 25 26  1  0  0  0  0
 26 20  2  0  0  0  0
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 29 21  1  0  0  0  0
 30 22  2  0  0  0  0
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 32 28  1  0  0  0  0
  4  6  1  0  0  0  0
 29 31  2  0  0  0  0
 27 32  2  0  0  0  0
 25 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,830)
1831

>  <Formula> (1,830)
C24H17F3N2O2S

>  <MolWeight> (1,830)
454.4641896

>  <PCAT_CMPD_ID> (1,830)
WAY-348065

>  <CNC_ID> (1,830)
359435897

>  <transfer_container_id> (1,830)
PTN000000075

>  <COMPOUND_NUMBER> (1,830)
WAY-348065

>  <LOCATION_CODE> (1,830)
PTNCS

>  <AMOUNT_CURRENT> (1,830)
32.5

$$$$
WAY-331586
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
   11.4375   -9.4500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6375  -13.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
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  7  6  1  0  0  0  0
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  9  1  2  0  0  0  0
 10  1  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
 14 16  1  0  0  0  0
 15  8  2  0  0  0  0
 16 19  2  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
  4  7  1  0  0  0  0
 14 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,831)
1832

>  <Formula> (1,831)
C11H8F2N2O4S

>  <MolWeight> (1,831)
302.2540264

>  <PCAT_CMPD_ID> (1,831)
WAY-331586

>  <CNC_ID> (1,831)
359330124

>  <transfer_container_id> (1,831)
PTN000000067

>  <COMPOUND_NUMBER> (1,831)
WAY-331586

>  <LOCATION_CODE> (1,831)
PTNCS

>  <AMOUNT_CURRENT> (1,831)
32.5

$$$$
WAY-333199
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.3613    1.3340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  2  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14  1  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
  3  5  1  0  0  0  0
 16 18  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,832)
1833

>  <Formula> (1,832)
C14H13NO2S

>  <MolWeight> (1,832)
259.32352

>  <PCAT_CMPD_ID> (1,832)
WAY-333199

>  <CNC_ID> (1,832)
359331734

>  <transfer_container_id> (1,832)
PTN000000067

>  <COMPOUND_NUMBER> (1,832)
WAY-333199

>  <LOCATION_CODE> (1,832)
PTNCS

>  <AMOUNT_CURRENT> (1,832)
32.5

$$$$
WAY-333336
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -5.6250    6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    4.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 13  3  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
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 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  3  7  1  0  0  0  0
 20 15  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,833)
1834

>  <Formula> (1,833)
C19H24N2O2

>  <MolWeight> (1,833)
312.40606

>  <PCAT_CMPD_ID> (1,833)
WAY-333336

>  <CNC_ID> (1,833)
359331870

>  <transfer_container_id> (1,833)
PTN000000067

>  <COMPOUND_NUMBER> (1,833)
WAY-333336

>  <LOCATION_CODE> (1,833)
PTNCS

>  <AMOUNT_CURRENT> (1,833)
32.5

$$$$
WAY-332903
csChFnd80/10101909502D

 35 39  0  0  0  0  0  0  0  0999 V2000
   11.6500   -5.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9042   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  1  1  0  0  0  0
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 14  7  1  0  0  0  0
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 30 11  1  0  0  0  0
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  5  3  1  0  0  0  0
 33 35  1  0  0  0  0
 13 10  2  0  0  0  0
 27 24  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,834)
1835

>  <Formula> (1,834)
C26H23N3O6

>  <MolWeight> (1,834)
473.47732

>  <PCAT_CMPD_ID> (1,834)
WAY-332903

>  <CNC_ID> (1,834)
359331438

>  <transfer_container_id> (1,834)
PTN000000067

>  <COMPOUND_NUMBER> (1,834)
WAY-332903

>  <LOCATION_CODE> (1,834)
PTNCS

>  <AMOUNT_CURRENT> (1,834)
32.5

$$$$
WAY-333246
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.8716    6.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  7  1  0  0  0  0
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 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
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 15 10  1  0  0  0  0
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  3  4  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,835)
1836

>  <Formula> (1,835)
C18H22N2O3

>  <MolWeight> (1,835)
314.37888

>  <PCAT_CMPD_ID> (1,835)
WAY-333246

>  <CNC_ID> (1,835)
359331781

>  <transfer_container_id> (1,835)
PTN000000067

>  <COMPOUND_NUMBER> (1,835)
WAY-333246

>  <LOCATION_CODE> (1,835)
PTNCS

>  <AMOUNT_CURRENT> (1,835)
32.5

$$$$
WAY-334330
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18  5  1  0  0  0  0
 19 12  1  0  0  0  0
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 24 21  1  0  0  0  0
  9  4  2  0  0  0  0
  7  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,836)
1837

>  <Formula> (1,836)
C18H22N4O2

>  <MolWeight> (1,836)
326.39288

>  <PCAT_CMPD_ID> (1,836)
WAY-334330

>  <CNC_ID> (1,836)
359332863

>  <transfer_container_id> (1,836)
PTN000000067

>  <COMPOUND_NUMBER> (1,836)
WAY-334330

>  <LOCATION_CODE> (1,836)
PTNCS

>  <AMOUNT_CURRENT> (1,836)
32.5

$$$$
WAY-627428
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 14 15  1  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,837)
1838

>  <Formula> (1,837)
C15H11NOS

>  <MolWeight> (1,837)
253.31894

>  <PCAT_CMPD_ID> (1,837)
WAY-627428

>  <CNC_ID> (1,837)
359336232

>  <transfer_container_id> (1,837)
PTN000000067

>  <COMPOUND_NUMBER> (1,837)
WAY-627428

>  <LOCATION_CODE> (1,837)
PTNCS

>  <AMOUNT_CURRENT> (1,837)
32

$$$$
WAY-645411
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,838)
1839

>  <Formula> (1,838)
C16H19N3O2S2

>  <MolWeight> (1,838)
349.47096

>  <PCAT_CMPD_ID> (1,838)
WAY-645411

>  <CNC_ID> (1,838)
359338083

>  <transfer_container_id> (1,838)
PTN000000067

>  <COMPOUND_NUMBER> (1,838)
WAY-645411

>  <LOCATION_CODE> (1,838)
PTNCS

>  <AMOUNT_CURRENT> (1,838)
32.6

$$$$
WAY-126098
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,839)
1840

>  <Formula> (1,839)
C14H10N2O2

>  <MolWeight> (1,839)
238.2414

>  <PCAT_CMPD_ID> (1,839)
WAY-126098

>  <CNC_ID> (1,839)
359340124

>  <transfer_container_id> (1,839)
PTN000000068

>  <COMPOUND_NUMBER> (1,839)
WAY-126098

>  <LOCATION_CODE> (1,839)
PTNCS

>  <AMOUNT_CURRENT> (1,839)
32.5

$$$$
WAY-274053
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,840)
1841

>  <Formula> (1,840)
C20H20N2O5

>  <MolWeight> (1,840)
368.3832

>  <PCAT_CMPD_ID> (1,840)
WAY-274053

>  <CNC_ID> (1,840)
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>  <transfer_container_id> (1,840)
PTN000000068

>  <COMPOUND_NUMBER> (1,840)
WAY-274053

>  <LOCATION_CODE> (1,840)
PTNCS

>  <AMOUNT_CURRENT> (1,840)
32.5

$$$$
WAY-274241
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,841)
1842

>  <Formula> (1,841)
C22H27N3OS

>  <MolWeight> (1,841)
381.53428

>  <PCAT_CMPD_ID> (1,841)
WAY-274241

>  <CNC_ID> (1,841)
359341504

>  <transfer_container_id> (1,841)
PTN000000068

>  <COMPOUND_NUMBER> (1,841)
WAY-274241

>  <LOCATION_CODE> (1,841)
PTNCS

>  <AMOUNT_CURRENT> (1,841)
27.5

$$$$
WAY-277142
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,842)
1843

>  <Formula> (1,842)
C17H15N3O3S2

>  <MolWeight> (1,842)
373.4493

>  <PCAT_CMPD_ID> (1,842)
WAY-277142

>  <CNC_ID> (1,842)
359341689

>  <transfer_container_id> (1,842)
PTN000000068

>  <COMPOUND_NUMBER> (1,842)
WAY-277142

>  <LOCATION_CODE> (1,842)
PTNCS

>  <AMOUNT_CURRENT> (1,842)
32.5

$$$$
WAY-277160
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,843)
1844

>  <Formula> (1,843)
C14H8ClNO2S

>  <MolWeight> (1,843)
289.73682

>  <PCAT_CMPD_ID> (1,843)
WAY-277160

>  <CNC_ID> (1,843)
359341707

>  <transfer_container_id> (1,843)
PTN000000068

>  <COMPOUND_NUMBER> (1,843)
WAY-277160

>  <LOCATION_CODE> (1,843)
PTNCS

>  <AMOUNT_CURRENT> (1,843)
32.5

$$$$
WAY-277244
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,844)
1845

>  <Formula> (1,844)
C15H18N2O3S

>  <MolWeight> (1,844)
306.38002

>  <PCAT_CMPD_ID> (1,844)
WAY-277244

>  <CNC_ID> (1,844)
359341789

>  <transfer_container_id> (1,844)
PTN000000068

>  <COMPOUND_NUMBER> (1,844)
WAY-277244

>  <LOCATION_CODE> (1,844)
PTNCS

>  <AMOUNT_CURRENT> (1,844)
32.5

$$$$
WAY-277248
csChFnd80/10101909502D

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 10  6  2  0  0  0  0
 11  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,845)
1846

>  <Formula> (1,845)
C17H16N4OS

>  <MolWeight> (1,845)
324.40014

>  <PCAT_CMPD_ID> (1,845)
WAY-277248

>  <CNC_ID> (1,845)
359341793

>  <transfer_container_id> (1,845)
PTN000000068

>  <COMPOUND_NUMBER> (1,845)
WAY-277248

>  <LOCATION_CODE> (1,845)
PTNCS

>  <AMOUNT_CURRENT> (1,845)
29.4

$$$$
WAY-277249
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  8  1  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  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 14  1  0  0  0  0
 21 13  2  0  0  0  0
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 23 19  2  0  0  0  0
 24 20  2  0  0  0  0
  5  4  1  0  0  0  0
 24 21  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,846)
1847

>  <Formula> (1,846)
C18H18N4OS

>  <MolWeight> (1,846)
338.42672

>  <PCAT_CMPD_ID> (1,846)
WAY-277249

>  <CNC_ID> (1,846)
359341794

>  <transfer_container_id> (1,846)
PTN000000068

>  <COMPOUND_NUMBER> (1,846)
WAY-277249

>  <LOCATION_CODE> (1,846)
PTNCS

>  <AMOUNT_CURRENT> (1,846)
29.3

$$$$
WAY-335916
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  1  0  0  0  0
 13 10  2  0  0  0  0
 14  5  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
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 23 20  2  0  0  0  0
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 22 21  1  0  0  0  0
  9  8  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,847)
1848

>  <Formula> (1,847)
C21H23N3O

>  <MolWeight> (1,847)
333.42682

>  <PCAT_CMPD_ID> (1,847)
WAY-335916

>  <CNC_ID> (1,847)
359345175

>  <transfer_container_id> (1,847)
PTN000000068

>  <COMPOUND_NUMBER> (1,847)
WAY-335916

>  <LOCATION_CODE> (1,847)
PTNCS

>  <AMOUNT_CURRENT> (1,847)
32.5

$$$$
WAY-336670
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11 28  1  0  0  0  0
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 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
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 21  9  1  0  0  0  0
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  5  4  2  0  0  0  0
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 27 20  1  0  0  0  0
 31 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,848)
1849

>  <Formula> (1,848)
C20H16ClFN6O2S

>  <MolWeight> (1,848)
458.8964432

>  <PCAT_CMPD_ID> (1,848)
WAY-336670

>  <CNC_ID> (1,848)
359345926

>  <transfer_container_id> (1,848)
PTN000000068

>  <COMPOUND_NUMBER> (1,848)
WAY-336670

>  <LOCATION_CODE> (1,848)
PTNCS

>  <AMOUNT_CURRENT> (1,848)
32.5

$$$$
WAY-337036
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  3  1  0  0  0  0
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 13  4  1  0  0  0  0
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 16 14  2  0  0  0  0
 21 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,849)
1850

>  <Formula> (1,849)
C19H18N2O2

>  <MolWeight> (1,849)
306.35842

>  <PCAT_CMPD_ID> (1,849)
WAY-337036

>  <CNC_ID> (1,849)
359346292

>  <transfer_container_id> (1,849)
PTN000000068

>  <COMPOUND_NUMBER> (1,849)
WAY-337036

>  <LOCATION_CODE> (1,849)
PTNCS

>  <AMOUNT_CURRENT> (1,849)
32.5

$$$$
WAY-337271
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,850)
1851

>  <Formula> (1,850)
C11H8N2O3

>  <MolWeight> (1,850)
216.19282

>  <PCAT_CMPD_ID> (1,850)
WAY-337271

>  <CNC_ID> (1,850)
359346523

>  <transfer_container_id> (1,850)
PTN000000068

>  <COMPOUND_NUMBER> (1,850)
WAY-337271

>  <LOCATION_CODE> (1,850)
PTNCS

>  <AMOUNT_CURRENT> (1,850)
32.5

$$$$
WAY-611658
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,851)
1852

>  <Formula> (1,851)
C20H23N3

>  <MolWeight> (1,851)
305.41672

>  <PCAT_CMPD_ID> (1,851)
WAY-611658

>  <CNC_ID> (1,851)
359347561

>  <transfer_container_id> (1,851)
PTN000000068

>  <COMPOUND_NUMBER> (1,851)
WAY-611658

>  <LOCATION_CODE> (1,851)
PTNCS

>  <AMOUNT_CURRENT> (1,851)
32.3

$$$$
WAY-612012
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 17 12  2  0  0  0  0
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M  END
>  <Mol_ID> (1,852)
1853

>  <Formula> (1,852)
C15H13N3O2

>  <MolWeight> (1,852)
267.28262

>  <PCAT_CMPD_ID> (1,852)
WAY-612012

>  <CNC_ID> (1,852)
359347914

>  <transfer_container_id> (1,852)
PTN000000068

>  <COMPOUND_NUMBER> (1,852)
WAY-612012

>  <LOCATION_CODE> (1,852)
PTNCS

>  <AMOUNT_CURRENT> (1,852)
32.5

$$$$
WAY-612026
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,853)
1854

>  <Formula> (1,853)
C15H17NO

>  <MolWeight> (1,853)
227.30158

>  <PCAT_CMPD_ID> (1,853)
WAY-612026

>  <CNC_ID> (1,853)
359347928

>  <transfer_container_id> (1,853)
PTN000000068

>  <COMPOUND_NUMBER> (1,853)
WAY-612026

>  <LOCATION_CODE> (1,853)
PTNCS

>  <AMOUNT_CURRENT> (1,853)
32.7

$$$$
WAY-612248
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,854)
1855

>  <Formula> (1,854)
C18H30N2O2

>  <MolWeight> (1,854)
306.443

>  <PCAT_CMPD_ID> (1,854)
WAY-612248

>  <CNC_ID> (1,854)
359348150

>  <transfer_container_id> (1,854)
PTN000000068

>  <COMPOUND_NUMBER> (1,854)
WAY-612248

>  <LOCATION_CODE> (1,854)
PTNCS

>  <AMOUNT_CURRENT> (1,854)
32.1

$$$$
WAY-612616
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,855)
1856

>  <Formula> (1,855)
C16H12N4

>  <MolWeight> (1,855)
260.29328

>  <PCAT_CMPD_ID> (1,855)
WAY-612616

>  <CNC_ID> (1,855)
359348518

>  <transfer_container_id> (1,855)
PTN000000068

>  <COMPOUND_NUMBER> (1,855)
WAY-612616

>  <LOCATION_CODE> (1,855)
PTNCS

>  <AMOUNT_CURRENT> (1,855)
32.9

$$$$
WAY-628892
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,856)
1857

>  <Formula> (1,856)
C14H15N3OS

>  <MolWeight> (1,856)
273.3534

>  <PCAT_CMPD_ID> (1,856)
WAY-628892

>  <CNC_ID> (1,856)
359350043

>  <transfer_container_id> (1,856)
PTN000000068

>  <COMPOUND_NUMBER> (1,856)
WAY-628892

>  <LOCATION_CODE> (1,856)
PTNCS

>  <AMOUNT_CURRENT> (1,856)
32.4

$$$$
WAY-628989
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,857)
1858

>  <Formula> (1,857)
C20H15N5S2

>  <MolWeight> (1,857)
389.4966

>  <PCAT_CMPD_ID> (1,857)
WAY-628989

>  <CNC_ID> (1,857)
359350140

>  <transfer_container_id> (1,857)
PTN000000068

>  <COMPOUND_NUMBER> (1,857)
WAY-628989

>  <LOCATION_CODE> (1,857)
PTNCS

>  <AMOUNT_CURRENT> (1,857)
32.7

$$$$
WAY-629004
csChFnd80/10101909502D

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 13  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,858)
1859

>  <Formula> (1,858)
C14H8ClIN2OS

>  <MolWeight> (1,858)
414.64859

>  <PCAT_CMPD_ID> (1,858)
WAY-629004

>  <CNC_ID> (1,858)
359350155

>  <transfer_container_id> (1,858)
PTN000000068

>  <COMPOUND_NUMBER> (1,858)
WAY-629004

>  <LOCATION_CODE> (1,858)
PTNCS

>  <AMOUNT_CURRENT> (1,858)
32.7

$$$$
WAY-629028
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,859)
1860

>  <Formula> (1,859)
C20H17N3O3

>  <MolWeight> (1,859)
347.36728

>  <PCAT_CMPD_ID> (1,859)
WAY-629028

>  <CNC_ID> (1,859)
359350179

>  <transfer_container_id> (1,859)
PTN000000068

>  <COMPOUND_NUMBER> (1,859)
WAY-629028

>  <LOCATION_CODE> (1,859)
PTNCS

>  <AMOUNT_CURRENT> (1,859)
32.7

$$$$
WAY-629042
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,860)
1861

>  <Formula> (1,860)
C17H14N2O6

>  <MolWeight> (1,860)
342.30286

>  <PCAT_CMPD_ID> (1,860)
WAY-629042

>  <CNC_ID> (1,860)
359350192

>  <transfer_container_id> (1,860)
PTN000000068

>  <COMPOUND_NUMBER> (1,860)
WAY-629042

>  <LOCATION_CODE> (1,860)
PTNCS

>  <AMOUNT_CURRENT> (1,860)
32

$$$$
WAY-629141
csChFnd80/10101909502D

 18 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,861)
1862

>  <Formula> (1,861)
C13H10ClN3S

>  <MolWeight> (1,861)
275.7566

>  <PCAT_CMPD_ID> (1,861)
WAY-629141

>  <CNC_ID> (1,861)
359350291

>  <transfer_container_id> (1,861)
PTN000000068

>  <COMPOUND_NUMBER> (1,861)
WAY-629141

>  <LOCATION_CODE> (1,861)
PTNCS

>  <AMOUNT_CURRENT> (1,861)
32.5

$$$$
WAY-629148
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,862)
1863

>  <Formula> (1,862)
C11H18N2O2

>  <MolWeight> (1,862)
210.27282

>  <PCAT_CMPD_ID> (1,862)
WAY-629148

>  <CNC_ID> (1,862)
359350298

>  <transfer_container_id> (1,862)
PTN000000068

>  <COMPOUND_NUMBER> (1,862)
WAY-629148

>  <LOCATION_CODE> (1,862)
PTNCS

>  <AMOUNT_CURRENT> (1,862)
32.6

$$$$
WAY-630120
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,863)
1864

>  <Formula> (1,863)
C16H17NO4S

>  <MolWeight> (1,863)
319.37548

>  <PCAT_CMPD_ID> (1,863)
WAY-630120

>  <CNC_ID> (1,863)
359351270

>  <transfer_container_id> (1,863)
PTN000000068

>  <COMPOUND_NUMBER> (1,863)
WAY-630120

>  <LOCATION_CODE> (1,863)
PTNCS

>  <AMOUNT_CURRENT> (1,863)
32.7

$$$$
WAY-647283
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,864)
1865

>  <Formula> (1,864)
C13H13ClN2OS

>  <MolWeight> (1,864)
280.77312

>  <PCAT_CMPD_ID> (1,864)
WAY-647283

>  <CNC_ID> (1,864)
359351662

>  <transfer_container_id> (1,864)
PTN000000068

>  <COMPOUND_NUMBER> (1,864)
WAY-647283

>  <LOCATION_CODE> (1,864)
PTNCS

>  <AMOUNT_CURRENT> (1,864)
32.6

$$$$
WAY-647299
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,865)
1866

>  <Formula> (1,865)
C14H12N2O3S

>  <MolWeight> (1,865)
288.32168

>  <PCAT_CMPD_ID> (1,865)
WAY-647299

>  <CNC_ID> (1,865)
359351678

>  <transfer_container_id> (1,865)
PTN000000068

>  <COMPOUND_NUMBER> (1,865)
WAY-647299

>  <LOCATION_CODE> (1,865)
PTNCS

>  <AMOUNT_CURRENT> (1,865)
32.6

$$$$
WAY-647365
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,866)
1867

>  <Formula> (1,866)
C14H15NO2S

>  <MolWeight> (1,866)
261.3394

>  <PCAT_CMPD_ID> (1,866)
WAY-647365

>  <CNC_ID> (1,866)
359351744

>  <transfer_container_id> (1,866)
PTN000000068

>  <COMPOUND_NUMBER> (1,866)
WAY-647365

>  <LOCATION_CODE> (1,866)
PTNCS

>  <AMOUNT_CURRENT> (1,866)
32.4

$$$$
WAY-647402
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10 14  2  0  0  0  0
 11  4  2  0  0  0  0
 12  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,867)
1868

>  <Formula> (1,867)
C15H18N4O

>  <MolWeight> (1,867)
270.32962

>  <PCAT_CMPD_ID> (1,867)
WAY-647402

>  <CNC_ID> (1,867)
359351780

>  <transfer_container_id> (1,867)
PTN000000068

>  <COMPOUND_NUMBER> (1,867)
WAY-647402

>  <LOCATION_CODE> (1,867)
PTNCS

>  <AMOUNT_CURRENT> (1,867)
32.3

$$$$
WAY-647413
csChFnd80/10101909502D

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  8 15  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  8  1  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  2  1  0  0  0  0
 17 11  2  0  0  0  0
 18 11  1  0  0  0  0
 19  6  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
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  5  6  1  0  0  0  0
 14  8  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,868)
1869

>  <Formula> (1,868)
C16H21N5O3

>  <MolWeight> (1,868)
331.36964

>  <PCAT_CMPD_ID> (1,868)
WAY-647413

>  <CNC_ID> (1,868)
359351791

>  <transfer_container_id> (1,868)
PTN000000068

>  <COMPOUND_NUMBER> (1,868)
WAY-647413

>  <LOCATION_CODE> (1,868)
PTNCS

>  <AMOUNT_CURRENT> (1,868)
32.3

$$$$
WAY-648042
csChFnd80/10101909502D

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  2 11  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  9  2  0  0  0  0
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  7 18  1  0  0  0  0
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 10  1  1  0  0  0  0
 11 20  1  0  0  0  0
 12  1  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 13  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
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 22 16  1  0  0  0  0
 23  8  1  0  0  0  0
 24 13  1  0  0  0  0
  7  8  2  0  0  0  0
 11 19  2  0  0  0  0
  5 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,869)
1870

>  <Formula> (1,869)
C17H15ClN4O2

>  <MolWeight> (1,869)
342.7796

>  <PCAT_CMPD_ID> (1,869)
WAY-648042

>  <CNC_ID> (1,869)
359352420

>  <transfer_container_id> (1,869)
PTN000000068

>  <COMPOUND_NUMBER> (1,869)
WAY-648042

>  <LOCATION_CODE> (1,869)
PTNCS

>  <AMOUNT_CURRENT> (1,869)
32.9

$$$$
WAY-648511
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
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 18 14  2  0  0  0  0
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 20 16  2  0  0  0  0
  6  8  1  0  0  0  0
 10 11  2  0  0  0  0
 17 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,870)
1871

>  <Formula> (1,870)
C16H10N2OS

>  <MolWeight> (1,870)
278.3284

>  <PCAT_CMPD_ID> (1,870)
WAY-648511

>  <CNC_ID> (1,870)
359352889

>  <transfer_container_id> (1,870)
PTN000000068

>  <COMPOUND_NUMBER> (1,870)
WAY-648511

>  <LOCATION_CODE> (1,870)
PTNCS

>  <AMOUNT_CURRENT> (1,870)
32.5

$$$$
WAY-649776
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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 13  1  2  0  0  0  0
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 15  4  1  0  0  0  0
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 18  3  2  0  0  0  0
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 12 21  2  0  0  0  0
  8 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,871)
1872

>  <Formula> (1,871)
C20H21N5O3

>  <MolWeight> (1,871)
379.41244

>  <PCAT_CMPD_ID> (1,871)
WAY-649776

>  <CNC_ID> (1,871)
359365483

>  <transfer_container_id> (1,871)
PTN000000069

>  <COMPOUND_NUMBER> (1,871)
WAY-649776

>  <LOCATION_CODE> (1,871)
PTNCS

>  <AMOUNT_CURRENT> (1,871)
32.6

$$$$
CL-132115
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,872)
1873

>  <Formula> (1,872)
C15H12N2

>  <MolWeight> (1,872)
220.26918

>  <PCAT_CMPD_ID> (1,872)
CL-132115

>  <CNC_ID> (1,872)
359367373

>  <transfer_container_id> (1,872)
PTN000000070

>  <COMPOUND_NUMBER> (1,872)
CL-132115

>  <LOCATION_CODE> (1,872)
PTNCS

>  <AMOUNT_CURRENT> (1,872)
29.1

$$$$
WAY-615762-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,873)
1874

>  <Formula> (1,873)
C10H12N2O4S2

>  <MolWeight> (1,873)
288.34328

>  <PCAT_CMPD_ID> (1,873)
WAY-615762

>  <CNC_ID> (1,873)
359376484

>  <transfer_container_id> (1,873)
PTN000000070

>  <COMPOUND_NUMBER> (1,873)
WAY-615762

>  <LOCATION_CODE> (1,873)
PTNCS

>  <AMOUNT_CURRENT> (1,873)
32.1

$$$$
WAY-633031
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,874)
1875

>  <Formula> (1,874)
C22H30BrNOS

>  <MolWeight> (1,874)
436.4487

>  <PCAT_CMPD_ID> (1,874)
WAY-633031

>  <CNC_ID> (1,874)
359377147

>  <transfer_container_id> (1,874)
PTN000000070

>  <COMPOUND_NUMBER> (1,874)
WAY-633031

>  <LOCATION_CODE> (1,874)
PTNCS

>  <AMOUNT_CURRENT> (1,874)
32.4

$$$$
WAY-320462
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,875)
1876

>  <Formula> (1,875)
C17H13F3N2

>  <MolWeight> (1,875)
302.2937296

>  <PCAT_CMPD_ID> (1,875)
WAY-320462

>  <CNC_ID> (1,875)
359384785

>  <transfer_container_id> (1,875)
PTN000000071

>  <COMPOUND_NUMBER> (1,875)
WAY-320462

>  <LOCATION_CODE> (1,875)
PTNCS

>  <AMOUNT_CURRENT> (1,875)
32.5

$$$$
WAY-634674
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,876)
1877

>  <Formula> (1,876)
C14H12N4

>  <MolWeight> (1,876)
236.27188

>  <PCAT_CMPD_ID> (1,876)
WAY-634674

>  <CNC_ID> (1,876)
359389776

>  <transfer_container_id> (1,876)
PTN000000071

>  <COMPOUND_NUMBER> (1,876)
WAY-634674

>  <LOCATION_CODE> (1,876)
PTNCS

>  <AMOUNT_CURRENT> (1,876)
32.8

$$$$
WAY-325577
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,877)
1878

>  <Formula> (1,877)
C16H14N2

>  <MolWeight> (1,877)
234.29576

>  <PCAT_CMPD_ID> (1,877)
WAY-325577

>  <CNC_ID> (1,877)
359422557

>  <transfer_container_id> (1,877)
PTN000000074

>  <COMPOUND_NUMBER> (1,877)
WAY-325577

>  <LOCATION_CODE> (1,877)
PTNCS

>  <AMOUNT_CURRENT> (1,877)
32.5

$$$$
WAY-640779
csChFnd80/10101909502D

 18 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,878)
1879

>  <Formula> (1,878)
C11H8N4O2S

>  <MolWeight> (1,878)
260.27182

>  <PCAT_CMPD_ID> (1,878)
WAY-640779

>  <CNC_ID> (1,878)
359430831

>  <transfer_container_id> (1,878)
PTN000000074

>  <COMPOUND_NUMBER> (1,878)
WAY-640779

>  <LOCATION_CODE> (1,878)
PTNCS

>  <AMOUNT_CURRENT> (1,878)
32.9

$$$$
WAY-660006
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,879)
1880

>  <Formula> (1,879)
C18H17BrClNO3

>  <MolWeight> (1,879)
410.68948

>  <PCAT_CMPD_ID> (1,879)
WAY-660006

>  <CNC_ID> (1,879)
359431245

>  <transfer_container_id> (1,879)
PTN000000074

>  <COMPOUND_NUMBER> (1,879)
WAY-660006

>  <LOCATION_CODE> (1,879)
PTNCS

>  <AMOUNT_CURRENT> (1,879)
32.7

$$$$
WAY-661923
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,880)
1881

>  <Formula> (1,880)
C10H15N3O2

>  <MolWeight> (1,880)
209.245

>  <PCAT_CMPD_ID> (1,880)
WAY-661923

>  <CNC_ID> (1,880)
359433160

>  <transfer_container_id> (1,880)
PTN000000074

>  <COMPOUND_NUMBER> (1,880)
WAY-661923

>  <LOCATION_CODE> (1,880)
PTNCS

>  <AMOUNT_CURRENT> (1,880)
32.7

$$$$
WAY-661933
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,881)
1882

>  <Formula> (1,881)
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>  <MolWeight> (1,881)
250.3366

>  <PCAT_CMPD_ID> (1,881)
WAY-661933

>  <CNC_ID> (1,881)
359433170

>  <transfer_container_id> (1,881)
PTN000000074

>  <COMPOUND_NUMBER> (1,881)
WAY-661933

>  <LOCATION_CODE> (1,881)
PTNCS

>  <AMOUNT_CURRENT> (1,881)
32.2

$$$$
WAY-661976
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,882)
1883

>  <Formula> (1,882)
C22H17N3O3

>  <MolWeight> (1,882)
371.38868

>  <PCAT_CMPD_ID> (1,882)
WAY-661976

>  <CNC_ID> (1,882)
359433213

>  <transfer_container_id> (1,882)
PTN000000074

>  <COMPOUND_NUMBER> (1,882)
WAY-661976

>  <LOCATION_CODE> (1,882)
PTNCS

>  <AMOUNT_CURRENT> (1,882)
32.9

$$$$
WAY-313122
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,883)
1884

>  <Formula> (1,883)
C17H15ClN4O3S

>  <MolWeight> (1,883)
390.844

>  <PCAT_CMPD_ID> (1,883)
WAY-313122

>  <CNC_ID> (1,883)
359328158

>  <transfer_container_id> (1,883)
PTN000000067

>  <COMPOUND_NUMBER> (1,883)
WAY-313122

>  <LOCATION_CODE> (1,883)
PTNCS

>  <AMOUNT_CURRENT> (1,883)
33.2

$$$$
WAY-231957
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 13 12  1  0  0  0  0
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 15  7  1  0  0  0  0
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  6  5  1  0  0  0  0
 13 10  2  0  0  0  0
 23 18  2  0  0  0  0
 22 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,884)
1885

>  <Formula> (1,884)
C20H17NO2

>  <MolWeight> (1,884)
303.35448

>  <PCAT_CMPD_ID> (1,884)
WAY-231957

>  <CNC_ID> (1,884)
359313903

>  <transfer_container_id> (1,884)
PTN000000065

>  <COMPOUND_NUMBER> (1,884)
WAY-231957

>  <LOCATION_CODE> (1,884)
PTNCS

>  <AMOUNT_CURRENT> (1,884)
33.5

$$$$
WAY-216245
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 16  3  1  0  0  0  0
 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,885)
1886

>  <Formula> (1,885)
C20H21FN2O4

>  <MolWeight> (1,885)
372.3901432

>  <PCAT_CMPD_ID> (1,885)
WAY-216245

>  <CNC_ID> (1,885)
359313785

>  <transfer_container_id> (1,885)
PTN000000065

>  <COMPOUND_NUMBER> (1,885)
WAY-216245

>  <LOCATION_CODE> (1,885)
PTNCS

>  <AMOUNT_CURRENT> (1,885)
33.4

$$$$
WAY-344220
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,886)
1887

>  <Formula> (1,886)
C18H13BrFN5OS

>  <MolWeight> (1,886)
446.2961232

>  <PCAT_CMPD_ID> (1,886)
WAY-344220

>  <CNC_ID> (1,886)
359319555

>  <transfer_container_id> (1,886)
PTN000000065

>  <COMPOUND_NUMBER> (1,886)
WAY-344220

>  <LOCATION_CODE> (1,886)
PTNCS

>  <AMOUNT_CURRENT> (1,886)
33

$$$$
WAY-310780
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,887)
1888

>  <Formula> (1,887)
C19H24N2O3S

>  <MolWeight> (1,887)
360.47046

>  <PCAT_CMPD_ID> (1,887)
WAY-310780

>  <CNC_ID> (1,887)
359314521

>  <transfer_container_id> (1,887)
PTN000000065

>  <COMPOUND_NUMBER> (1,887)
WAY-310780

>  <LOCATION_CODE> (1,887)
PTNCS

>  <AMOUNT_CURRENT> (1,887)
33.5

$$$$
WAY-311685
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (1,888)
1889

>  <Formula> (1,888)
C19H14N2O2

>  <MolWeight> (1,888)
302.32666

>  <PCAT_CMPD_ID> (1,888)
WAY-311685

>  <CNC_ID> (1,888)
359315426

>  <transfer_container_id> (1,888)
PTN000000065

>  <COMPOUND_NUMBER> (1,888)
WAY-311685

>  <LOCATION_CODE> (1,888)
PTNCS

>  <AMOUNT_CURRENT> (1,888)
33.7

$$$$
WAY-311025-A
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,889)
1890

>  <Formula> (1,889)
C16H17NO4

>  <MolWeight> (1,889)
287.31048

>  <PCAT_CMPD_ID> (1,889)
WAY-311025-A

>  <CNC_ID> (1,889)
359314767

>  <transfer_container_id> (1,889)
PTN000000065

>  <COMPOUND_NUMBER> (1,889)
WAY-311025-A

>  <LOCATION_CODE> (1,889)
PTNCS

>  <AMOUNT_CURRENT> (1,889)
33.7

$$$$
WAY-310990
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 23 24  1  0  0  0  0
  7 11  1  0  0  0  0
 13 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,890)
1891

>  <Formula> (1,890)
C18H21NO4S

>  <MolWeight> (1,890)
347.42864

>  <PCAT_CMPD_ID> (1,890)
WAY-310990

>  <CNC_ID> (1,890)
359314732

>  <transfer_container_id> (1,890)
PTN000000065

>  <COMPOUND_NUMBER> (1,890)
WAY-310990

>  <LOCATION_CODE> (1,890)
PTNCS

>  <AMOUNT_CURRENT> (1,890)
33.7

$$$$
WAY-243300-A
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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  3  8  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,891)
1892

>  <Formula> (1,891)
C15H30N2O2S

>  <MolWeight> (1,891)
302.4759

>  <PCAT_CMPD_ID> (1,891)
WAY-243300-A

>  <CNC_ID> (1,891)
359326919

>  <transfer_container_id> (1,891)
PTN000000067

>  <COMPOUND_NUMBER> (1,891)
WAY-243300-A

>  <LOCATION_CODE> (1,891)
PTNCS

>  <AMOUNT_CURRENT> (1,891)
33.6

$$$$
WAY-345593
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 15  7  2  0  0  0  0
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 18  5  1  0  0  0  0
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 23  8  1  0  0  0  0
 24 10  1  0  0  0  0
 21 17  2  0  0  0  0
  6  2  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,892)
1893

>  <Formula> (1,892)
C18H14F2O4

>  <MolWeight> (1,892)
332.2981664

>  <PCAT_CMPD_ID> (1,892)
WAY-345593

>  <CNC_ID> (1,892)
359320850

>  <transfer_container_id> (1,892)
PTN000000065

>  <COMPOUND_NUMBER> (1,892)
WAY-345593

>  <LOCATION_CODE> (1,892)
PTNCS

>  <AMOUNT_CURRENT> (1,892)
32.5

$$$$
WAY-343789
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,893)
1894

>  <Formula> (1,893)
C17H14FN3OS2

>  <MolWeight> (1,893)
359.4409632

>  <PCAT_CMPD_ID> (1,893)
WAY-343789

>  <CNC_ID> (1,893)
359319130

>  <transfer_container_id> (1,893)
PTN000000065

>  <COMPOUND_NUMBER> (1,893)
WAY-343789

>  <LOCATION_CODE> (1,893)
PTNCS

>  <AMOUNT_CURRENT> (1,893)
32.6

$$$$
GI-569668
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,894)
1895

>  <Formula> (1,894)
C15H15NO5

>  <MolWeight> (1,894)
289.2833

>  <PCAT_CMPD_ID> (1,894)
GI-569668

>  <CNC_ID> (1,894)
359313665

>  <transfer_container_id> (1,894)
PTN000000065

>  <COMPOUND_NUMBER> (1,894)
GI-569668

>  <LOCATION_CODE> (1,894)
PTNCS

>  <AMOUNT_CURRENT> (1,894)
33.4

$$$$
WAY-238005
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 27 30  2  0  0  0  0
 10 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,895)
1896

>  <Formula> (1,895)
C22H18N2O6

>  <MolWeight> (1,895)
406.38812

>  <PCAT_CMPD_ID> (1,895)
WAY-238005

>  <CNC_ID> (1,895)
359313954

>  <transfer_container_id> (1,895)
PTN000000065

>  <COMPOUND_NUMBER> (1,895)
WAY-238005

>  <LOCATION_CODE> (1,895)
PTNCS

>  <AMOUNT_CURRENT> (1,895)
33.7

$$$$
WAY-314296
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,896)
1897

>  <Formula> (1,896)
C20H23N5O2

>  <MolWeight> (1,896)
365.42892

>  <PCAT_CMPD_ID> (1,896)
WAY-314296

>  <CNC_ID> (1,896)
359329332

>  <transfer_container_id> (1,896)
PTN000000067

>  <COMPOUND_NUMBER> (1,896)
WAY-314296

>  <LOCATION_CODE> (1,896)
PTNCS

>  <AMOUNT_CURRENT> (1,896)
33

$$$$
WAY-310425
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,897)
1898

>  <Formula> (1,897)
C19H17N3O5S

>  <MolWeight> (1,897)
399.42038

>  <PCAT_CMPD_ID> (1,897)
WAY-310425

>  <CNC_ID> (1,897)
359314166

>  <transfer_container_id> (1,897)
PTN000000065

>  <COMPOUND_NUMBER> (1,897)
WAY-310425

>  <LOCATION_CODE> (1,897)
PTNCS

>  <AMOUNT_CURRENT> (1,897)
33

$$$$
WAY-345410
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,898)
1899

>  <Formula> (1,898)
C22H15BrFN3O2

>  <MolWeight> (1,898)
452.2758032

>  <PCAT_CMPD_ID> (1,898)
WAY-345410

>  <CNC_ID> (1,898)
359320680

>  <transfer_container_id> (1,898)
PTN000000065

>  <COMPOUND_NUMBER> (1,898)
WAY-345410

>  <LOCATION_CODE> (1,898)
PTNCS

>  <AMOUNT_CURRENT> (1,898)
32.4

$$$$
WAY-118102
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,899)
1900

>  <Formula> (1,899)
C10H9FN2S

>  <MolWeight> (1,899)
208.2552632

>  <PCAT_CMPD_ID> (1,899)
WAY-118102

>  <CNC_ID> (1,899)
359313735

>  <transfer_container_id> (1,899)
PTN000000065

>  <COMPOUND_NUMBER> (1,899)
WAY-118102

>  <LOCATION_CODE> (1,899)
PTNCS

>  <AMOUNT_CURRENT> (1,899)
33.6

$$$$
WAY-311689
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,900)
1901

>  <Formula> (1,900)
C11H16N4O2S

>  <MolWeight> (1,900)
268.33534

>  <PCAT_CMPD_ID> (1,900)
WAY-311689

>  <CNC_ID> (1,900)
359315430

>  <transfer_container_id> (1,900)
PTN000000065

>  <COMPOUND_NUMBER> (1,900)
WAY-311689

>  <LOCATION_CODE> (1,900)
PTNCS

>  <AMOUNT_CURRENT> (1,900)
33.2

$$$$
WAY-310419
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,901)
1902

>  <Formula> (1,901)
C28H37N3O2

>  <MolWeight> (1,901)
447.61228

>  <PCAT_CMPD_ID> (1,901)
WAY-310419

>  <CNC_ID> (1,901)
359314160

>  <transfer_container_id> (1,901)
PTN000000065

>  <COMPOUND_NUMBER> (1,901)
WAY-310419

>  <LOCATION_CODE> (1,901)
PTNCS

>  <AMOUNT_CURRENT> (1,901)
33.2

$$$$
WAY-311201
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,902)
1903

>  <Formula> (1,902)
C16H24N2O3

>  <MolWeight> (1,902)
292.37336

>  <PCAT_CMPD_ID> (1,902)
WAY-311201

>  <CNC_ID> (1,902)
359314942

>  <transfer_container_id> (1,902)
PTN000000065

>  <COMPOUND_NUMBER> (1,902)
WAY-311201

>  <LOCATION_CODE> (1,902)
PTNCS

>  <AMOUNT_CURRENT> (1,902)
33.6

$$$$
WAY-118653-A
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 16  1  1  0  0  0  0
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 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,903)
1904

>  <Formula> (1,903)
C21H34N2O3

>  <MolWeight> (1,903)
362.50626

>  <PCAT_CMPD_ID> (1,903)
WAY-118653-A

>  <CNC_ID> (1,903)
359313741

>  <transfer_container_id> (1,903)
PTN000000065

>  <COMPOUND_NUMBER> (1,903)
WAY-118653-A

>  <LOCATION_CODE> (1,903)
PTNCS

>  <AMOUNT_CURRENT> (1,903)
33.7

$$$$
WAY-311771
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -2.4383   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,904)
1905

>  <Formula> (1,904)
C16H17NO2

>  <MolWeight> (1,904)
255.31168

>  <PCAT_CMPD_ID> (1,904)
WAY-311771

>  <CNC_ID> (1,904)
359315512

>  <transfer_container_id> (1,904)
PTN000000065

>  <COMPOUND_NUMBER> (1,904)
WAY-311771

>  <LOCATION_CODE> (1,904)
PTNCS

>  <AMOUNT_CURRENT> (1,904)
33.3

$$$$
WAY-344275
csChFnd80/10101909502D

 18 18  0  0  0  0  0  0  0  0999 V2000
    7.0750   -1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
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 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
 15  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,905)
1906

>  <Formula> (1,905)
C11H16N2O5

>  <MolWeight> (1,905)
256.25514

>  <PCAT_CMPD_ID> (1,905)
WAY-344275

>  <CNC_ID> (1,905)
359319613

>  <transfer_container_id> (1,905)
PTN000000065

>  <COMPOUND_NUMBER> (1,905)
WAY-344275

>  <LOCATION_CODE> (1,905)
PTNCS

>  <AMOUNT_CURRENT> (1,905)
32.6

$$$$
WAY-310979
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.5414    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,906)
1907

>  <Formula> (1,906)
C15H11N3O3S

>  <MolWeight> (1,906)
313.33114

>  <PCAT_CMPD_ID> (1,906)
WAY-310979

>  <CNC_ID> (1,906)
359314721

>  <transfer_container_id> (1,906)
PTN000000065

>  <COMPOUND_NUMBER> (1,906)
WAY-310979

>  <LOCATION_CODE> (1,906)
PTNCS

>  <AMOUNT_CURRENT> (1,906)
33.6

$$$$
WAY-311444
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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  4  8  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,907)
1908

>  <Formula> (1,907)
C11H11ClO2

>  <MolWeight> (1,907)
210.65684

>  <PCAT_CMPD_ID> (1,907)
WAY-311444

>  <CNC_ID> (1,907)
359315185

>  <transfer_container_id> (1,907)
PTN000000065

>  <COMPOUND_NUMBER> (1,907)
WAY-311444

>  <LOCATION_CODE> (1,907)
PTNCS

>  <AMOUNT_CURRENT> (1,907)
33.9

$$$$
WAY-311453
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  8 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,908)
1909

>  <Formula> (1,908)
C16H13BrO4

>  <MolWeight> (1,908)
349.17602

>  <PCAT_CMPD_ID> (1,908)
WAY-311453

>  <CNC_ID> (1,908)
359315194

>  <transfer_container_id> (1,908)
PTN000000065

>  <COMPOUND_NUMBER> (1,908)
WAY-311453

>  <LOCATION_CODE> (1,908)
PTNCS

>  <AMOUNT_CURRENT> (1,908)
33.4

$$$$
WAY-343712
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,909)
1910

>  <Formula> (1,909)
C13H9Cl2NO2

>  <MolWeight> (1,909)
282.12206

>  <PCAT_CMPD_ID> (1,909)
WAY-343712

>  <CNC_ID> (1,909)
359319054

>  <transfer_container_id> (1,909)
PTN000000065

>  <COMPOUND_NUMBER> (1,909)
WAY-343712

>  <LOCATION_CODE> (1,909)
PTNCS

>  <AMOUNT_CURRENT> (1,909)
32.8

$$$$
WAY-311911
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,910)
1911

>  <Formula> (1,910)
C16H21N3OS

>  <MolWeight> (1,910)
303.42244

>  <PCAT_CMPD_ID> (1,910)
WAY-311911

>  <CNC_ID> (1,910)
359315652

>  <transfer_container_id> (1,910)
PTN000000065

>  <COMPOUND_NUMBER> (1,910)
WAY-311911

>  <LOCATION_CODE> (1,910)
PTNCS

>  <AMOUNT_CURRENT> (1,910)
33.9

$$$$
WAY-345427
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  2  0  0  0  0
 14  4  1  0  0  0  0
 15  6  2  0  0  0  0
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 19  3  1  0  0  0  0
 20  3  1  0  0  0  0
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 16  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,911)
1912

>  <Formula> (1,911)
C19H19Cl2NO6S

>  <MolWeight> (1,911)
460.32826

>  <PCAT_CMPD_ID> (1,911)
WAY-345427

>  <CNC_ID> (1,911)
359320697

>  <transfer_container_id> (1,911)
PTN000000065

>  <COMPOUND_NUMBER> (1,911)
WAY-345427

>  <LOCATION_CODE> (1,911)
PTNCS

>  <AMOUNT_CURRENT> (1,911)
32.4

$$$$
WAY-267450
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,912)
1913

>  <Formula> (1,912)
C16H18N2O4

>  <MolWeight> (1,912)
302.32512

>  <PCAT_CMPD_ID> (1,912)
WAY-267450

>  <CNC_ID> (1,912)
359314015

>  <transfer_container_id> (1,912)
PTN000000065

>  <COMPOUND_NUMBER> (1,912)
WAY-267450

>  <LOCATION_CODE> (1,912)
PTNCS

>  <AMOUNT_CURRENT> (1,912)
33.1

$$$$
WAY-343976
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,913)
1914

>  <Formula> (1,913)
C21H21NO3

>  <MolWeight> (1,913)
335.39634

>  <PCAT_CMPD_ID> (1,913)
WAY-343976

>  <CNC_ID> (1,913)
359319314

>  <transfer_container_id> (1,913)
PTN000000065

>  <COMPOUND_NUMBER> (1,913)
WAY-343976

>  <LOCATION_CODE> (1,913)
PTNCS

>  <AMOUNT_CURRENT> (1,913)
32.5

$$$$
WAY-392080
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,914)
1915

>  <Formula> (1,914)
C12H11Cl2N3OS2

>  <MolWeight> (1,914)
348.27124

>  <PCAT_CMPD_ID> (1,914)
WAY-392080

>  <CNC_ID> (1,914)
359387370

>  <transfer_container_id> (1,914)
PTN000000071

>  <COMPOUND_NUMBER> (1,914)
WAY-392080

>  <LOCATION_CODE> (1,914)
PTNCS

>  <AMOUNT_CURRENT> (1,914)
32.3

$$$$
WAY-306650
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  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
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 10  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,915)
1916

>  <Formula> (1,915)
C13H22N2O3

>  <MolWeight> (1,915)
254.32538

>  <PCAT_CMPD_ID> (1,915)
WAY-306650

>  <CNC_ID> (1,915)
359409148

>  <transfer_container_id> (1,915)
PTN000000073

>  <COMPOUND_NUMBER> (1,915)
WAY-306650

>  <LOCATION_CODE> (1,915)
PTNCS

>  <AMOUNT_CURRENT> (1,915)
33.9

$$$$
WAY-307699
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.1379   -2.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  7  1  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
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  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,916)
1917

>  <Formula> (1,916)
C18H16FN3O5

>  <MolWeight> (1,916)
373.3351432

>  <PCAT_CMPD_ID> (1,916)
WAY-307699

>  <CNC_ID> (1,916)
359420554

>  <transfer_container_id> (1,916)
PTN000000074

>  <COMPOUND_NUMBER> (1,916)
WAY-307699

>  <LOCATION_CODE> (1,916)
PTNCS

>  <AMOUNT_CURRENT> (1,916)
33.2

$$$$
WAY-308577
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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  6  8  1  0  0  0  0
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 16 17  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,917)
1918

>  <Formula> (1,917)
C15H11ClN2O2S

>  <MolWeight> (1,917)
318.77804

>  <PCAT_CMPD_ID> (1,917)
WAY-308577

>  <CNC_ID> (1,917)
359421430

>  <transfer_container_id> (1,917)
PTN000000074

>  <COMPOUND_NUMBER> (1,917)
WAY-308577

>  <LOCATION_CODE> (1,917)
PTNCS

>  <AMOUNT_CURRENT> (1,917)
33.8

$$$$
WAY-309468
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  7  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,918)
1919

>  <Formula> (1,918)
C15H19Cl2NO2

>  <MolWeight> (1,918)
316.22286

>  <PCAT_CMPD_ID> (1,918)
WAY-309468

>  <CNC_ID> (1,918)
359422320

>  <transfer_container_id> (1,918)
PTN000000074

>  <COMPOUND_NUMBER> (1,918)
WAY-309468

>  <LOCATION_CODE> (1,918)
PTNCS

>  <AMOUNT_CURRENT> (1,918)
33.7

$$$$
CL-432007
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 13 21  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,919)
1920

>  <Formula> (1,919)
C16H15FN2O3S

>  <MolWeight> (1,919)
334.3653032

>  <PCAT_CMPD_ID> (1,919)
CL-432007

>  <CNC_ID> (1,919)
359326761

>  <transfer_container_id> (1,919)
PTN000000067

>  <COMPOUND_NUMBER> (1,919)
CL-432007

>  <LOCATION_CODE> (1,919)
PTNCS

>  <AMOUNT_CURRENT> (1,919)
33.4

$$$$
WAY-312718
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  2  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
  7 10  2  0  0  0  0
 14 17  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,920)
1921

>  <Formula> (1,920)
C18H18N2O2

>  <MolWeight> (1,920)
294.34772

>  <PCAT_CMPD_ID> (1,920)
WAY-312718

>  <CNC_ID> (1,920)
359327755

>  <transfer_container_id> (1,920)
PTN000000067

>  <COMPOUND_NUMBER> (1,920)
WAY-312718

>  <LOCATION_CODE> (1,920)
PTNCS

>  <AMOUNT_CURRENT> (1,920)
33.9

$$$$
WAY-224036
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  8  1  1  0  0  0  0
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 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  1  0  0  0  0
 17  8  1  0  0  0  0
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 20  9  2  0  0  0  0
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 29 28  2  0  0  0  0
 21 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,921)
1922

>  <Formula> (1,921)
C23H27N3O3

>  <MolWeight> (1,921)
393.47878

>  <PCAT_CMPD_ID> (1,921)
WAY-224036

>  <CNC_ID> (1,921)
359326869

>  <transfer_container_id> (1,921)
PTN000000067

>  <COMPOUND_NUMBER> (1,921)
WAY-224036

>  <LOCATION_CODE> (1,921)
PTNCS

>  <AMOUNT_CURRENT> (1,921)
33

$$$$
WAY-224593
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  5  8  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,922)
1923

>  <Formula> (1,922)
C16H23NO3S

>  <MolWeight> (1,922)
309.42372

>  <PCAT_CMPD_ID> (1,922)
WAY-224593

>  <CNC_ID> (1,922)
359326871

>  <transfer_container_id> (1,922)
PTN000000067

>  <COMPOUND_NUMBER> (1,922)
WAY-224593

>  <LOCATION_CODE> (1,922)
PTNCS

>  <AMOUNT_CURRENT> (1,922)
33.9

$$$$
WAY-312924
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
 13 12  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,923)
1924

>  <Formula> (1,923)
C14H11N3O3S

>  <MolWeight> (1,923)
301.32044

>  <PCAT_CMPD_ID> (1,923)
WAY-312924

>  <CNC_ID> (1,923)
359327961

>  <transfer_container_id> (1,923)
PTN000000067

>  <COMPOUND_NUMBER> (1,923)
WAY-312924

>  <LOCATION_CODE> (1,923)
PTNCS

>  <AMOUNT_CURRENT> (1,923)
33.5

$$$$
WAY-312750
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 16 19  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,924)
1925

>  <Formula> (1,924)
C20H16N4O2

>  <MolWeight> (1,924)
344.36664

>  <PCAT_CMPD_ID> (1,924)
WAY-312750

>  <CNC_ID> (1,924)
359327787

>  <transfer_container_id> (1,924)
PTN000000067

>  <COMPOUND_NUMBER> (1,924)
WAY-312750

>  <LOCATION_CODE> (1,924)
PTNCS

>  <AMOUNT_CURRENT> (1,924)
33.3

$$$$
WAY-312860
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,925)
1926

>  <Formula> (1,925)
C21H14FN3O3

>  <MolWeight> (1,925)
375.3525632

>  <PCAT_CMPD_ID> (1,925)
WAY-312860

>  <CNC_ID> (1,925)
359327897

>  <transfer_container_id> (1,925)
PTN000000067

>  <COMPOUND_NUMBER> (1,925)
WAY-312860

>  <LOCATION_CODE> (1,925)
PTNCS

>  <AMOUNT_CURRENT> (1,925)
33.9

$$$$
WAY-312841
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
  5  7  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,926)
1927

>  <Formula> (1,926)
C11H13NO2

>  <MolWeight> (1,926)
191.22642

>  <PCAT_CMPD_ID> (1,926)
WAY-312841

>  <CNC_ID> (1,926)
359327878

>  <transfer_container_id> (1,926)
PTN000000067

>  <COMPOUND_NUMBER> (1,926)
WAY-312841

>  <LOCATION_CODE> (1,926)
PTNCS

>  <AMOUNT_CURRENT> (1,926)
33.7

$$$$
CL-405058
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 23 26  1  0  0  0  0
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M  END
>  <Mol_ID> (1,927)
1928

>  <Formula> (1,927)
C21H16N4O2

>  <MolWeight> (1,927)
356.37734

>  <PCAT_CMPD_ID> (1,927)
CL-405058

>  <CNC_ID> (1,927)
359326718

>  <transfer_container_id> (1,927)
PTN000000067

>  <COMPOUND_NUMBER> (1,927)
CL-405058

>  <LOCATION_CODE> (1,927)
PTNCS

>  <AMOUNT_CURRENT> (1,927)
33.6

$$$$
WAY-312875
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,928)
1929

>  <Formula> (1,928)
C18H22O3

>  <MolWeight> (1,928)
286.36548

>  <PCAT_CMPD_ID> (1,928)
WAY-312875

>  <CNC_ID> (1,928)
359327912

>  <transfer_container_id> (1,928)
PTN000000067

>  <COMPOUND_NUMBER> (1,928)
WAY-312875

>  <LOCATION_CODE> (1,928)
PTNCS

>  <AMOUNT_CURRENT> (1,928)
33.6

$$$$
WAY-243109
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  9 12  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,929)
1930

>  <Formula> (1,929)
C15H18N2O4S2

>  <MolWeight> (1,929)
354.44442

>  <PCAT_CMPD_ID> (1,929)
WAY-243109

>  <CNC_ID> (1,929)
359326918

>  <transfer_container_id> (1,929)
PTN000000067

>  <COMPOUND_NUMBER> (1,929)
WAY-243109

>  <LOCATION_CODE> (1,929)
PTNCS

>  <AMOUNT_CURRENT> (1,929)
33

$$$$
WAY-312911
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,930)
1931

>  <Formula> (1,930)
C14H18INO

>  <MolWeight> (1,930)
343.20329

>  <PCAT_CMPD_ID> (1,930)
WAY-312911

>  <CNC_ID> (1,930)
359327948

>  <transfer_container_id> (1,930)
PTN000000067

>  <COMPOUND_NUMBER> (1,930)
WAY-312911

>  <LOCATION_CODE> (1,930)
PTNCS

>  <AMOUNT_CURRENT> (1,930)
33.6

$$$$
WAY-312939
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  5  9  1  0  0  0  0
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  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  8  2  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,931)
1932

>  <Formula> (1,931)
C16H17NO4

>  <MolWeight> (1,931)
287.31048

>  <PCAT_CMPD_ID> (1,931)
WAY-312939

>  <CNC_ID> (1,931)
359327976

>  <transfer_container_id> (1,931)
PTN000000067

>  <COMPOUND_NUMBER> (1,931)
WAY-312939

>  <LOCATION_CODE> (1,931)
PTNCS

>  <AMOUNT_CURRENT> (1,931)
33.9

$$$$
WAY-115632
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  2  0  0  0  0
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 10 14  1  0  0  0  0
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 12 16  1  0  0  0  0
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 14 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 24 26  1  0  0  0  0
  9 11  2  0  0  0  0
 17 19  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,932)
1933

>  <Formula> (1,932)
C19H21NO5S

>  <MolWeight> (1,932)
375.43874

>  <PCAT_CMPD_ID> (1,932)
WAY-115632

>  <CNC_ID> (1,932)
359326820

>  <transfer_container_id> (1,932)
PTN000000067

>  <COMPOUND_NUMBER> (1,932)
WAY-115632

>  <LOCATION_CODE> (1,932)
PTNCS

>  <AMOUNT_CURRENT> (1,932)
33.5

$$$$
WAY-223795
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 11 17  2  0  0  0  0
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 18 21  2  0  0  0  0
  8 11  1  0  0  0  0
 10 16  1  0  0  0  0
 13 18  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,933)
1934

>  <Formula> (1,933)
C17H18N2OS

>  <MolWeight> (1,933)
298.40262

>  <PCAT_CMPD_ID> (1,933)
WAY-223795

>  <CNC_ID> (1,933)
359326868

>  <transfer_container_id> (1,933)
PTN000000067

>  <COMPOUND_NUMBER> (1,933)
WAY-223795

>  <LOCATION_CODE> (1,933)
PTNCS

>  <AMOUNT_CURRENT> (1,933)
33.7

$$$$
WAY-312687-A
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,934)
1935

>  <Formula> (1,934)
C11H9BrN2S

>  <MolWeight> (1,934)
281.17156

>  <PCAT_CMPD_ID> (1,934)
WAY-312687-A

>  <CNC_ID> (1,934)
359327724

>  <transfer_container_id> (1,934)
PTN000000067

>  <COMPOUND_NUMBER> (1,934)
WAY-312687-A

>  <LOCATION_CODE> (1,934)
PTNCS

>  <AMOUNT_CURRENT> (1,934)
33.8

$$$$
WAY-312861
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   -4.2883   -0.5436    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
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 17 20  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,935)
1936

>  <Formula> (1,935)
C17H16N2O2S2

>  <MolWeight> (1,935)
344.45114

>  <PCAT_CMPD_ID> (1,935)
WAY-312861

>  <CNC_ID> (1,935)
359327898

>  <transfer_container_id> (1,935)
PTN000000067

>  <COMPOUND_NUMBER> (1,935)
WAY-312861

>  <LOCATION_CODE> (1,935)
PTNCS

>  <AMOUNT_CURRENT> (1,935)
33.9

$$$$
WAY-312634-A
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 17  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,936)
1937

>  <Formula> (1,936)
C15H20N2O4

>  <MolWeight> (1,936)
292.3303

>  <PCAT_CMPD_ID> (1,936)
WAY-312634-A

>  <CNC_ID> (1,936)
359327671

>  <transfer_container_id> (1,936)
PTN000000067

>  <COMPOUND_NUMBER> (1,936)
WAY-312634-A

>  <LOCATION_CODE> (1,936)
PTNCS

>  <AMOUNT_CURRENT> (1,936)
33.3

$$$$
WAY-312874
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 11 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
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,937)
1938

>  <Formula> (1,937)
C19H14N2O2

>  <MolWeight> (1,937)
302.32666

>  <PCAT_CMPD_ID> (1,937)
WAY-312874

>  <CNC_ID> (1,937)
359327911

>  <transfer_container_id> (1,937)
PTN000000067

>  <COMPOUND_NUMBER> (1,937)
WAY-312874

>  <LOCATION_CODE> (1,937)
PTNCS

>  <AMOUNT_CURRENT> (1,937)
33.4

$$$$
WAY-312813-A
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 21 24  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,938)
1939

>  <Formula> (1,938)
C17H20N4O3

>  <MolWeight> (1,938)
328.3657

>  <PCAT_CMPD_ID> (1,938)
WAY-312813-A

>  <CNC_ID> (1,938)
359327850

>  <transfer_container_id> (1,938)
PTN000000067

>  <COMPOUND_NUMBER> (1,938)
WAY-312813-A

>  <LOCATION_CODE> (1,938)
PTNCS

>  <AMOUNT_CURRENT> (1,938)
33.3

$$$$
WAY-312832
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 26 28  2  0  0  0  0
  6  9  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,939)
1940

>  <Formula> (1,939)
C21H19Cl2N3O2

>  <MolWeight> (1,939)
416.30046

>  <PCAT_CMPD_ID> (1,939)
WAY-312832

>  <CNC_ID> (1,939)
359327869

>  <transfer_container_id> (1,939)
PTN000000067

>  <COMPOUND_NUMBER> (1,939)
WAY-312832

>  <LOCATION_CODE> (1,939)
PTNCS

>  <AMOUNT_CURRENT> (1,939)
33.5

$$$$
GI-568003
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,940)
1941

>  <Formula> (1,940)
C20H19ClN2O3

>  <MolWeight> (1,940)
370.82946

>  <PCAT_CMPD_ID> (1,940)
GI-568003

>  <CNC_ID> (1,940)
359326796

>  <transfer_container_id> (1,940)
PTN000000067

>  <COMPOUND_NUMBER> (1,940)
GI-568003

>  <LOCATION_CODE> (1,940)
PTNCS

>  <AMOUNT_CURRENT> (1,940)
33.3

$$$$
WAY-313200
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,941)
1942

>  <Formula> (1,941)
C11H12N2OS2

>  <MolWeight> (1,941)
252.35578

>  <PCAT_CMPD_ID> (1,941)
WAY-313200

>  <CNC_ID> (1,941)
359328236

>  <transfer_container_id> (1,941)
PTN000000067

>  <COMPOUND_NUMBER> (1,941)
WAY-313200

>  <LOCATION_CODE> (1,941)
PTNCS

>  <AMOUNT_CURRENT> (1,941)
33.9

$$$$
WAY-312803
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,942)
1943

>  <Formula> (1,942)
C13H13N5O2

>  <MolWeight> (1,942)
271.27462

>  <PCAT_CMPD_ID> (1,942)
WAY-312803

>  <CNC_ID> (1,942)
359327840

>  <transfer_container_id> (1,942)
PTN000000067

>  <COMPOUND_NUMBER> (1,942)
WAY-312803

>  <LOCATION_CODE> (1,942)
PTNCS

>  <AMOUNT_CURRENT> (1,942)
33.8

$$$$
WAY-312908-A
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  8 12  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,943)
1944

>  <Formula> (1,943)
C14H19N3S

>  <MolWeight> (1,943)
261.38576

>  <PCAT_CMPD_ID> (1,943)
WAY-312908-A

>  <CNC_ID> (1,943)
359327945

>  <transfer_container_id> (1,943)
PTN000000067

>  <COMPOUND_NUMBER> (1,943)
WAY-312908-A

>  <LOCATION_CODE> (1,943)
PTNCS

>  <AMOUNT_CURRENT> (1,943)
33.5

$$$$
WAY-313090
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  7  8  1  0  0  0  0
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 21 23  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,944)
1945

>  <Formula> (1,944)
C20H13BrN2O3S

>  <MolWeight> (1,944)
441.29782

>  <PCAT_CMPD_ID> (1,944)
WAY-313090

>  <CNC_ID> (1,944)
359328126

>  <transfer_container_id> (1,944)
PTN000000067

>  <COMPOUND_NUMBER> (1,944)
WAY-313090

>  <LOCATION_CODE> (1,944)
PTNCS

>  <AMOUNT_CURRENT> (1,944)
33.9

$$$$
CL-264361
csChFnd80/10101909502D

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 13 16  2  0  0  0  0
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M  END
>  <Mol_ID> (1,945)
1946

>  <Formula> (1,945)
C17H12N2O

>  <MolWeight> (1,945)
260.28998

>  <PCAT_CMPD_ID> (1,945)
CL-264361

>  <CNC_ID> (1,945)
359339847

>  <transfer_container_id> (1,945)
PTN000000068

>  <COMPOUND_NUMBER> (1,945)
CL-264361

>  <LOCATION_CODE> (1,945)
PTNCS

>  <AMOUNT_CURRENT> (1,945)
33.1

$$$$
CL-349773
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  2  0  0  0  0
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  5 10  1  0  0  0  0
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 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5  9  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,946)
1947

>  <Formula> (1,946)
C11H11NO2S2

>  <MolWeight> (1,946)
253.34054

>  <PCAT_CMPD_ID> (1,946)
CL-349773

>  <CNC_ID> (1,946)
359339866

>  <transfer_container_id> (1,946)
PTN000000068

>  <COMPOUND_NUMBER> (1,946)
CL-349773

>  <LOCATION_CODE> (1,946)
PTNCS

>  <AMOUNT_CURRENT> (1,946)
33.1

$$$$
CL-414690
csChFnd80/10101909502D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
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 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
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 19 20  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,947)
1948

>  <Formula> (1,947)
C24H36N4O3

>  <MolWeight> (1,947)
428.56764

>  <PCAT_CMPD_ID> (1,947)
CL-414690

>  <CNC_ID> (1,947)
359339913

>  <transfer_container_id> (1,947)
PTN000000068

>  <COMPOUND_NUMBER> (1,947)
CL-414690

>  <LOCATION_CODE> (1,947)
PTNCS

>  <AMOUNT_CURRENT> (1,947)
33.1

$$$$
CL-427675
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.2589   -0.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
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  7 14  1  0  0  0  0
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 14 16  1  0  0  0  0
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 18 20  1  0  0  0  0
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  6  9  1  0  0  0  0
 11 14  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,948)
1949

>  <Formula> (1,948)
C21H22O5

>  <MolWeight> (1,948)
354.39638

>  <PCAT_CMPD_ID> (1,948)
CL-427675

>  <CNC_ID> (1,948)
359339957

>  <transfer_container_id> (1,948)
PTN000000068

>  <COMPOUND_NUMBER> (1,948)
CL-427675

>  <LOCATION_CODE> (1,948)
PTNCS

>  <AMOUNT_CURRENT> (1,948)
33.4

$$$$
CL-901007
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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   -1.2166    2.2802    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  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
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 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
  7  6  1  0  0  0  0
  5  9  2  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,949)
1950

>  <Formula> (1,949)
C12H8N2OS

>  <MolWeight> (1,949)
228.26972

>  <PCAT_CMPD_ID> (1,949)
CL-901007

>  <CNC_ID> (1,949)
359339972

>  <transfer_container_id> (1,949)
PTN000000068

>  <COMPOUND_NUMBER> (1,949)
CL-901007

>  <LOCATION_CODE> (1,949)
PTNCS

>  <AMOUNT_CURRENT> (1,949)
33.2

$$$$
WAY-115765
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
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  6 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 17 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 12  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,950)
1951

>  <Formula> (1,950)
C17H17NO2

>  <MolWeight> (1,950)
267.32238

>  <PCAT_CMPD_ID> (1,950)
WAY-115765

>  <CNC_ID> (1,950)
359340051

>  <transfer_container_id> (1,950)
PTN000000068

>  <COMPOUND_NUMBER> (1,950)
WAY-115765

>  <LOCATION_CODE> (1,950)
PTNCS

>  <AMOUNT_CURRENT> (1,950)
33.3

$$$$
WAY-117966
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    9.6000   -4.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
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  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  2  0  0  0  0
 15  9  1  0  0  0  0
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 17 11  2  0  0  0  0
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 22 17  1  0  0  0  0
 15 21  2  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,951)
1952

>  <Formula> (1,951)
C16H17N3O3

>  <MolWeight> (1,951)
299.32448

>  <PCAT_CMPD_ID> (1,951)
WAY-117966

>  <CNC_ID> (1,951)
359340083

>  <transfer_container_id> (1,951)
PTN000000068

>  <COMPOUND_NUMBER> (1,951)
WAY-117966

>  <LOCATION_CODE> (1,951)
PTNCS

>  <AMOUNT_CURRENT> (1,951)
33.4

$$$$
WAY-118508-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    0.6797    2.2414    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
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  9 10  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,952)
1953

>  <Formula> (1,952)
C11H19N3O2S

>  <MolWeight> (1,952)
257.35246

>  <PCAT_CMPD_ID> (1,952)
WAY-118508-A

>  <CNC_ID> (1,952)
359340096

>  <transfer_container_id> (1,952)
PTN000000068

>  <COMPOUND_NUMBER> (1,952)
WAY-118508-A

>  <LOCATION_CODE> (1,952)
PTNCS

>  <AMOUNT_CURRENT> (1,952)
33.3

$$$$
WAY-119214
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   11.1000    0.4665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 14  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10 12  2  0  0  0  0
 11  6  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
 19  5  1  0  0  0  0
 20  7  2  0  0  0  0
 21 16  1  0  0  0  0
 22 16  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
  5  3  1  0  0  0  0
 19 23  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,953)
1954

>  <Formula> (1,953)
C18H20N4OS

>  <MolWeight> (1,953)
340.4426

>  <PCAT_CMPD_ID> (1,953)
WAY-119214

>  <CNC_ID> (1,953)
359340109

>  <transfer_container_id> (1,953)
PTN000000068

>  <COMPOUND_NUMBER> (1,953)
WAY-119214

>  <LOCATION_CODE> (1,953)
PTNCS

>  <AMOUNT_CURRENT> (1,953)
33.5

$$$$
WAY-223506
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6114    1.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1087    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  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
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 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
  3  2  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,954)
1955

>  <Formula> (1,954)
C12H21NO

>  <MolWeight> (1,954)
195.30124

>  <PCAT_CMPD_ID> (1,954)
WAY-223506

>  <CNC_ID> (1,954)
359340160

>  <transfer_container_id> (1,954)
PTN000000068

>  <COMPOUND_NUMBER> (1,954)
WAY-223506

>  <LOCATION_CODE> (1,954)
PTNCS

>  <AMOUNT_CURRENT> (1,954)
33.4

$$$$
WAY-225212
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
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  7  4  1  0  0  0  0
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 10  2  2  0  0  0  0
 11  9  2  0  0  0  0
 12  4  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
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 21 19  2  0  0  0  0
 22 21  1  0  0  0  0
  7  8  1  0  0  0  0
 12 14  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,955)
1956

>  <Formula> (1,955)
C18H17NO3

>  <MolWeight> (1,955)
295.33248

>  <PCAT_CMPD_ID> (1,955)
WAY-225212

>  <CNC_ID> (1,955)
359340176

>  <transfer_container_id> (1,955)
PTN000000068

>  <COMPOUND_NUMBER> (1,955)
WAY-225212

>  <LOCATION_CODE> (1,955)
PTNCS

>  <AMOUNT_CURRENT> (1,955)
33.1

$$$$
WAY-227340
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 27 23  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,956)
1957

>  <Formula> (1,956)
C23H18N2O2

>  <MolWeight> (1,956)
354.40122

>  <PCAT_CMPD_ID> (1,956)
WAY-227340

>  <CNC_ID> (1,956)
359340197

>  <transfer_container_id> (1,956)
PTN000000068

>  <COMPOUND_NUMBER> (1,956)
WAY-227340

>  <LOCATION_CODE> (1,956)
PTNCS

>  <AMOUNT_CURRENT> (1,956)
33.5

$$$$
WAY-231923
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 15  7  1  0  0  0  0
 16  9  1  0  0  0  0
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 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,957)
1958

>  <Formula> (1,957)
C17H23NO4

>  <MolWeight> (1,957)
305.36882

>  <PCAT_CMPD_ID> (1,957)
WAY-231923

>  <CNC_ID> (1,957)
359340239

>  <transfer_container_id> (1,957)
PTN000000068

>  <COMPOUND_NUMBER> (1,957)
WAY-231923

>  <LOCATION_CODE> (1,957)
PTNCS

>  <AMOUNT_CURRENT> (1,957)
33.3

$$$$
WAY-233335
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,958)
1959

>  <Formula> (1,958)
C16H16N2O4S

>  <MolWeight> (1,958)
332.37424

>  <PCAT_CMPD_ID> (1,958)
WAY-233335

>  <CNC_ID> (1,958)
359340260

>  <transfer_container_id> (1,958)
PTN000000068

>  <COMPOUND_NUMBER> (1,958)
WAY-233335

>  <LOCATION_CODE> (1,958)
PTNCS

>  <AMOUNT_CURRENT> (1,958)
33.1

$$$$
WAY-240305
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17 14  2  0  0  0  0
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  3  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,959)
1960

>  <Formula> (1,959)
C16H22N2

>  <MolWeight> (1,959)
242.35928

>  <PCAT_CMPD_ID> (1,959)
WAY-240305

>  <CNC_ID> (1,959)
359340355

>  <transfer_container_id> (1,959)
PTN000000068

>  <COMPOUND_NUMBER> (1,959)
WAY-240305

>  <LOCATION_CODE> (1,959)
PTNCS

>  <AMOUNT_CURRENT> (1,959)
33

$$$$
WAY-296471
csChFnd80/10101909502D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,960)
1961

>  <Formula> (1,960)
C26H23N5O4

>  <MolWeight> (1,960)
469.49192

>  <PCAT_CMPD_ID> (1,960)
WAY-296471

>  <CNC_ID> (1,960)
359342915

>  <transfer_container_id> (1,960)
PTN000000068

>  <COMPOUND_NUMBER> (1,960)
WAY-296471

>  <LOCATION_CODE> (1,960)
PTNCS

>  <AMOUNT_CURRENT> (1,960)
33.3

$$$$
WAY-296522
csChFnd80/10101909502D

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 19 20  1  0  0  0  0
  7  9  1  0  0  0  0
 13 16  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,961)
1962

>  <Formula> (1,961)
C15H14ClNO3

>  <MolWeight> (1,961)
291.72956

>  <PCAT_CMPD_ID> (1,961)
WAY-296522

>  <CNC_ID> (1,961)
359342966

>  <transfer_container_id> (1,961)
PTN000000068

>  <COMPOUND_NUMBER> (1,961)
WAY-296522

>  <LOCATION_CODE> (1,961)
PTNCS

>  <AMOUNT_CURRENT> (1,961)
33.5

$$$$
WAY-296533
csChFnd80/10101909502D

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 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
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 13  7  2  0  0  0  0
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 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 18  9  2  0  0  0  0
 19 12  1  0  0  0  0
 20  6  1  0  0  0  0
 21  9  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
  3  6  2  0  0  0  0
 15 22  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,962)
1963

>  <Formula> (1,962)
C16H11Cl2N3OS

>  <MolWeight> (1,962)
364.24904

>  <PCAT_CMPD_ID> (1,962)
WAY-296533

>  <CNC_ID> (1,962)
359342977

>  <transfer_container_id> (1,962)
PTN000000068

>  <COMPOUND_NUMBER> (1,962)
WAY-296533

>  <LOCATION_CODE> (1,962)
PTNCS

>  <AMOUNT_CURRENT> (1,962)
33.3

$$$$
WAY-296567
csChFnd80/10101909502D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 32 36  1  0  0  0  0
 34 37  2  0  0  0  0
M  END
>  <Mol_ID> (1,963)
1964

>  <Formula> (1,963)
C30H30N4O3

>  <MolWeight> (1,963)
494.5842

>  <PCAT_CMPD_ID> (1,963)
WAY-296567

>  <CNC_ID> (1,963)
359343011

>  <transfer_container_id> (1,963)
PTN000000068

>  <COMPOUND_NUMBER> (1,963)
WAY-296567

>  <LOCATION_CODE> (1,963)
PTNCS

>  <AMOUNT_CURRENT> (1,963)
33.4

$$$$
WAY-296591
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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  6  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,964)
1965

>  <Formula> (1,964)
C20H16N2OS2

>  <MolWeight> (1,964)
364.48384

>  <PCAT_CMPD_ID> (1,964)
WAY-296591

>  <CNC_ID> (1,964)
359343035

>  <transfer_container_id> (1,964)
PTN000000068

>  <COMPOUND_NUMBER> (1,964)
WAY-296591

>  <LOCATION_CODE> (1,964)
PTNCS

>  <AMOUNT_CURRENT> (1,964)
33.2

$$$$
WAY-296601-A
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,965)
1966

>  <Formula> (1,965)
C13H15N3

>  <MolWeight> (1,965)
213.2783

>  <PCAT_CMPD_ID> (1,965)
WAY-296601-A

>  <CNC_ID> (1,965)
359343045

>  <transfer_container_id> (1,965)
PTN000000068

>  <COMPOUND_NUMBER> (1,965)
WAY-296601-A

>  <LOCATION_CODE> (1,965)
PTNCS

>  <AMOUNT_CURRENT> (1,965)
33

$$$$
WAY-296630
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  8 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
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
  7 10  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,966)
1967

>  <Formula> (1,966)
C15H16N2O2

>  <MolWeight> (1,966)
256.29974

>  <PCAT_CMPD_ID> (1,966)
WAY-296630

>  <CNC_ID> (1,966)
359343074

>  <transfer_container_id> (1,966)
PTN000000068

>  <COMPOUND_NUMBER> (1,966)
WAY-296630

>  <LOCATION_CODE> (1,966)
PTNCS

>  <AMOUNT_CURRENT> (1,966)
33.4

$$$$
WAY-296657
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.4103   -0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138   -0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -0.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -0.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4138    0.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483   -1.4279    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4138    0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    1.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621   -0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207    1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8793   -0.6279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7241    0.0445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6483    1.4307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483    0.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3414    0.5928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793    0.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7276   -0.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517   -0.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379   -0.5865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 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
 20 22  1  0  0  0  0
  7  9  1  0  0  0  0
 16 17  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,967)
1968

>  <Formula> (1,967)
C14H16N6S2

>  <MolWeight> (1,967)
332.44704

>  <PCAT_CMPD_ID> (1,967)
WAY-296657

>  <CNC_ID> (1,967)
359343101

>  <transfer_container_id> (1,967)
PTN000000068

>  <COMPOUND_NUMBER> (1,967)
WAY-296657

>  <LOCATION_CODE> (1,967)
PTNCS

>  <AMOUNT_CURRENT> (1,967)
33.5

$$$$
WAY-296665
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.0103    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    0.3759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7586    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1966   -1.0103    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8759   -1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483    0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483    2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5241   -1.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5483    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4724    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -0.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4586    2.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517   -0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1724   -1.0552    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
  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
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  1  0  0  0  0
 11 13  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,968)
1969

>  <Formula> (1,968)
C17H16N2O2S

>  <MolWeight> (1,968)
312.38614

>  <PCAT_CMPD_ID> (1,968)
WAY-296665

>  <CNC_ID> (1,968)
359343109

>  <transfer_container_id> (1,968)
PTN000000068

>  <COMPOUND_NUMBER> (1,968)
WAY-296665

>  <LOCATION_CODE> (1,968)
PTNCS

>  <AMOUNT_CURRENT> (1,968)
33.4

$$$$
WAY-296676
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3241   -0.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172   -1.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0379    0.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379   -1.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6483   -0.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    1.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5517    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -2.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1517    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4621    1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759    0.3276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000    1.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8621    2.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -3.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    0.7276    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  2  0  0  0  0
  4 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
  9 15  1  0  0  0  0
 12 16  2  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
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
  5  9  1  0  0  0  0
 14 18  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,969)
1970

>  <Formula> (1,969)
C19H17NO3S

>  <MolWeight> (1,969)
339.40818

>  <PCAT_CMPD_ID> (1,969)
WAY-296676

>  <CNC_ID> (1,969)
359343120

>  <transfer_container_id> (1,969)
PTN000000068

>  <COMPOUND_NUMBER> (1,969)
WAY-296676

>  <LOCATION_CODE> (1,969)
PTNCS

>  <AMOUNT_CURRENT> (1,969)
33.4

$$$$
WAY-296762-A
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.0568   -0.2979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8947   -1.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2984   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4361    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3982   -2.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2430   -1.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708    0.9366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0432   -1.4944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2844    1.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7430    1.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2465   -3.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1016   -2.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535    1.4366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6120   -3.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2604    2.7746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0984    0.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5225    3.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3811    1.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5880    2.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  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
 13 15  1  0  0  0  0
 13 16  2  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
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,970)
1971

>  <Formula> (1,970)
C15H12N2OS

>  <MolWeight> (1,970)
268.33358

>  <PCAT_CMPD_ID> (1,970)
WAY-296762-A

>  <CNC_ID> (1,970)
359343206

>  <transfer_container_id> (1,970)
PTN000000068

>  <COMPOUND_NUMBER> (1,970)
WAY-296762-A

>  <LOCATION_CODE> (1,970)
PTNCS

>  <AMOUNT_CURRENT> (1,970)
33

$$$$
WAY-296797
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -1.4966    0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862    0.3793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586    0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862   -0.6586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586   -0.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -0.1483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966    0.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -0.1690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414    0.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    0.3724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5034   -0.6793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1034   -0.4379    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
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 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  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,971)
1972

>  <Formula> (1,971)
C13H12N4OS2

>  <MolWeight> (1,971)
304.39058

>  <PCAT_CMPD_ID> (1,971)
WAY-296797

>  <CNC_ID> (1,971)
359343241

>  <transfer_container_id> (1,971)
PTN000000068

>  <COMPOUND_NUMBER> (1,971)
WAY-296797

>  <LOCATION_CODE> (1,971)
PTNCS

>  <AMOUNT_CURRENT> (1,971)
33

$$$$
WAY-296852
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.1561    0.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7354    0.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7354   -0.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8940    0.2372    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0354    0.6269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9940    1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0354   -0.1110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9940   -1.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940   -0.3800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457    0.8372    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6060    1.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2439    0.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2439   -0.1110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060    1.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6060   -0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819   -0.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6060   -1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819   -1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2439   -1.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  5  7  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,972)
1973

>  <Formula> (1,972)
C11H16N4O4

>  <MolWeight> (1,972)
268.26914

>  <PCAT_CMPD_ID> (1,972)
WAY-296852

>  <CNC_ID> (1,972)
359343296

>  <transfer_container_id> (1,972)
PTN000000068

>  <COMPOUND_NUMBER> (1,972)
WAY-296852

>  <LOCATION_CODE> (1,972)
PTNCS

>  <AMOUNT_CURRENT> (1,972)
33.1

$$$$
WAY-296905
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.1207    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1069    1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7828   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    0.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5069   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586    1.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0724    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7448    2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793   -0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.7241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7345   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    0.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2207    0.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931   -1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7448   -0.7241    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  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  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 23 25  2  0  0  0  0
  7  9  2  0  0  0  0
 20 24  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,973)
1974

>  <Formula> (1,973)
C19H18N2O3S

>  <MolWeight> (1,973)
354.42282

>  <PCAT_CMPD_ID> (1,973)
WAY-296905

>  <CNC_ID> (1,973)
359343349

>  <transfer_container_id> (1,973)
PTN000000068

>  <COMPOUND_NUMBER> (1,973)
WAY-296905

>  <LOCATION_CODE> (1,973)
PTNCS

>  <AMOUNT_CURRENT> (1,973)
33.2

$$$$
WAY-296925
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -1.0000   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -0.5828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    0.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4828   -1.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207   -1.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9828   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0379    0.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0793    0.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    1.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586   -0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5586   -0.0655    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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  7 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,974)
1975

>  <Formula> (1,974)
C15H18O4

>  <MolWeight> (1,974)
262.30102

>  <PCAT_CMPD_ID> (1,974)
WAY-296925

>  <CNC_ID> (1,974)
359343369

>  <transfer_container_id> (1,974)
PTN000000068

>  <COMPOUND_NUMBER> (1,974)
WAY-296925

>  <LOCATION_CODE> (1,974)
PTNCS

>  <AMOUNT_CURRENT> (1,974)
33.3

$$$$
WAY-296990
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.0379    0.3172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0414   -0.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5207    0.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7586    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379   -0.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    1.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.5552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1207   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793   -1.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8586   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414   -0.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793   -0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9586    0.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9379   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -0.7448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5793    0.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -0.1621    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
  6 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
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
  5  9  2  0  0  0  0
 12 13  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,975)
1976

>  <Formula> (1,975)
C17H16N2O3S

>  <MolWeight> (1,975)
328.38554

>  <PCAT_CMPD_ID> (1,975)
WAY-296990

>  <CNC_ID> (1,975)
359343434

>  <transfer_container_id> (1,975)
PTN000000068

>  <COMPOUND_NUMBER> (1,975)
WAY-296990

>  <LOCATION_CODE> (1,975)
PTNCS

>  <AMOUNT_CURRENT> (1,975)
33.2

$$$$
WAY-296995-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.1970    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970   -0.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0556    0.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6789    0.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0246   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9073    0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5272    0.2966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9073   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0246   -2.2138    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3789    0.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8108   -1.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444    0.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3789    1.7793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7039   -0.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1030    0.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1030    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5866   -1.2345    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
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
  6  8  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,976)
1977

>  <Formula> (1,976)
C12H15ClN2OS

>  <MolWeight> (1,976)
270.7783

>  <PCAT_CMPD_ID> (1,976)
WAY-296995-A

>  <CNC_ID> (1,976)
359343439

>  <transfer_container_id> (1,976)
PTN000000068

>  <COMPOUND_NUMBER> (1,976)
WAY-296995-A

>  <LOCATION_CODE> (1,976)
PTNCS

>  <AMOUNT_CURRENT> (1,976)
33.4

$$$$
WAY-297025
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.9162    1.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9162    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1473    1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6162    1.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1473    0.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6162   -0.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6783    0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3162    1.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3162    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8680    0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4645    0.0860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4645    1.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3355    0.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7389   -0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7562    0.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1631   -0.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3734    0.0860    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
 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
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,977)
1978

>  <Formula> (1,977)
C19H19NO4

>  <MolWeight> (1,977)
325.35846

>  <PCAT_CMPD_ID> (1,977)
WAY-297025

>  <CNC_ID> (1,977)
359343469

>  <transfer_container_id> (1,977)
PTN000000068

>  <COMPOUND_NUMBER> (1,977)
WAY-297025

>  <LOCATION_CODE> (1,977)
PTNCS

>  <AMOUNT_CURRENT> (1,977)
33.2

$$$$
WAY-297041
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -2.4862   -0.1862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4862    0.9517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3862   -0.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862   -0.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4862    1.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    0.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103   -1.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5034   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5034    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793    0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1138   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6793   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8483   -1.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4276   -0.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5655   -0.6000    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  2  0  0  0  0
  6 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
 14 16  2  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
 19 20  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,978)
1979

>  <Formula> (1,978)
C16H18N2O2

>  <MolWeight> (1,978)
270.32632

>  <PCAT_CMPD_ID> (1,978)
WAY-297041

>  <CNC_ID> (1,978)
359343485

>  <transfer_container_id> (1,978)
PTN000000068

>  <COMPOUND_NUMBER> (1,978)
WAY-297041

>  <LOCATION_CODE> (1,978)
PTNCS

>  <AMOUNT_CURRENT> (1,978)
33.2

$$$$
WAY-297065
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.4759   -0.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966   -1.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.5068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552    0.0035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172   -2.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966   -1.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6966   -1.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759    0.8242    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7379   -3.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3172   -2.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552    1.0242    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379   -3.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931    1.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    0.5139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0931    2.0415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448    0.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724    2.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448    2.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6034    2.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4724    2.5415    0.0000 F   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  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 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
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7  9  2  0  0  0  0
 11 13  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,979)
1980

>  <Formula> (1,979)
C17H15FN4OS

>  <MolWeight> (1,979)
342.3906032

>  <PCAT_CMPD_ID> (1,979)
WAY-297065

>  <CNC_ID> (1,979)
359343509

>  <transfer_container_id> (1,979)
PTN000000068

>  <COMPOUND_NUMBER> (1,979)
WAY-297065

>  <LOCATION_CODE> (1,979)
PTNCS

>  <AMOUNT_CURRENT> (1,979)
33.1

$$$$
WAY-297073
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -1.8207    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2379    0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5207   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5276    1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897    0.2828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1000   -0.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9586   -0.1310    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3241   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9517   -0.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6724    0.2690    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.8897    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6172   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8862    1.1448    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9034   -1.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6172   -0.9276    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
  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
 11 13  2  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
 16 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
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
  7 10  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,980)
1981

>  <Formula> (1,980)
C17H17ClN2O3S

>  <MolWeight> (1,980)
364.84648

>  <PCAT_CMPD_ID> (1,980)
WAY-297073

>  <CNC_ID> (1,980)
359343517

>  <transfer_container_id> (1,980)
PTN000000068

>  <COMPOUND_NUMBER> (1,980)
WAY-297073

>  <LOCATION_CODE> (1,980)
PTNCS

>  <AMOUNT_CURRENT> (1,980)
33.4

$$$$
WAY-297074
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.2229   -0.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2229   -1.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1609   -0.0039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1609   -1.8108    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4678    3.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2633    3.9996    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
  6  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
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  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
 21 23  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,981)
1982

>  <Formula> (1,981)
C17H14N2O2S2

>  <MolWeight> (1,981)
342.43526

>  <PCAT_CMPD_ID> (1,981)
WAY-297074

>  <CNC_ID> (1,981)
359343518

>  <transfer_container_id> (1,981)
PTN000000068

>  <COMPOUND_NUMBER> (1,981)
WAY-297074

>  <LOCATION_CODE> (1,981)
PTNCS

>  <AMOUNT_CURRENT> (1,981)
33.1

$$$$
WAY-297098
csChFnd80/10101909502D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.3552   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8000   -1.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4966    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069    2.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1586    2.5655    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
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 15 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 21 26  1  0  0  0  0
 24 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
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
  7 11  1  0  0  0  0
 13 22  1  0  0  0  0
 16 23  1  0  0  0  0
 20 25  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,982)
1983

>  <Formula> (1,982)
C28H27NO5

>  <MolWeight> (1,982)
457.51768

>  <PCAT_CMPD_ID> (1,982)
WAY-297098

>  <CNC_ID> (1,982)
359343542

>  <transfer_container_id> (1,982)
PTN000000068

>  <COMPOUND_NUMBER> (1,982)
WAY-297098

>  <LOCATION_CODE> (1,982)
PTNCS

>  <AMOUNT_CURRENT> (1,982)
33.5

$$$$
WAY-297108
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.1759   -0.3310    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2414    0.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5828    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1655    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4172   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069    0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0552   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    1.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    1.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241   -0.3241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448   -1.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241   -1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690   -0.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    2.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,983)
1984

>  <Formula> (1,983)
C16H22O3

>  <MolWeight> (1,983)
262.34408

>  <PCAT_CMPD_ID> (1,983)
WAY-297108

>  <CNC_ID> (1,983)
359343552

>  <transfer_container_id> (1,983)
PTN000000068

>  <COMPOUND_NUMBER> (1,983)
WAY-297108

>  <LOCATION_CODE> (1,983)
PTNCS

>  <AMOUNT_CURRENT> (1,983)
33.4

$$$$
WAY-297117
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.5621    0.9034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.4724    0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7517   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379    0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483   -0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6483    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8517    2.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6724   -0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1310   -0.9172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0310    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    0.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1172   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    2.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    2.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4621    3.4621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3310    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -0.8069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -1.8379    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1793   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172   -2.3276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1379   -3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276   -1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -3.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5069   -2.5483    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  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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
  7  9  1  0  0  0  0
 13 19  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,984)
1985

>  <Formula> (1,984)
C18H18N4O5

>  <MolWeight> (1,984)
370.35932

>  <PCAT_CMPD_ID> (1,984)
WAY-297117

>  <CNC_ID> (1,984)
359343561

>  <transfer_container_id> (1,984)
PTN000000068

>  <COMPOUND_NUMBER> (1,984)
WAY-297117

>  <LOCATION_CODE> (1,984)
PTNCS

>  <AMOUNT_CURRENT> (1,984)
33.2

$$$$
WAY-297118
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.9759   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897   -1.0276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759   -1.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2276   -1.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241    0.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379    1.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -2.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966   -0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    1.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3759    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3379    0.7000    0.0000 Br  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  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  2  0  0  0  0
  6 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6  7  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,985)
1986

>  <Formula> (1,985)
C10H7BrN2OS

>  <MolWeight> (1,985)
283.14438

>  <PCAT_CMPD_ID> (1,985)
WAY-297118

>  <CNC_ID> (1,985)
359343562

>  <transfer_container_id> (1,985)
PTN000000068

>  <COMPOUND_NUMBER> (1,985)
WAY-297118

>  <LOCATION_CODE> (1,985)
PTNCS

>  <AMOUNT_CURRENT> (1,985)
33.5

$$$$
WAY-297123
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3497   -0.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8122   -0.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330    0.3888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830   -0.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8622   -0.4612    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0330    0.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2997   -0.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2747    0.3388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2378   -0.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7670   -0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170    0.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3378    0.6013    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8253   -0.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2878    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3003   -0.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7753    0.3388    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  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 14  2  0  0  0  0
 12 11  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
  7  6  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,986)
1987

>  <Formula> (1,986)
C11H9FN2OS

>  <MolWeight> (1,986)
236.2653632

>  <PCAT_CMPD_ID> (1,986)
WAY-297123

>  <CNC_ID> (1,986)
359343567

>  <transfer_container_id> (1,986)
PTN000000068

>  <COMPOUND_NUMBER> (1,986)
WAY-297123

>  <LOCATION_CODE> (1,986)
PTNCS

>  <AMOUNT_CURRENT> (1,986)
33.5

$$$$
WAY-297133
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    0.8448   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0207   -0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2414   -0.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8724    1.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    0.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690   -0.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    1.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2034    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -0.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.8586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207    0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0276   -2.1414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
  7  9  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,987)
1988

>  <Formula> (1,987)
C14H16N2O3S

>  <MolWeight> (1,987)
292.35344

>  <PCAT_CMPD_ID> (1,987)
WAY-297133

>  <CNC_ID> (1,987)
359343577

>  <transfer_container_id> (1,987)
PTN000000068

>  <COMPOUND_NUMBER> (1,987)
WAY-297133

>  <LOCATION_CODE> (1,987)
PTNCS

>  <AMOUNT_CURRENT> (1,987)
33.4

$$$$
WAY-297218
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.1975    0.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975    1.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492   -0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285   -0.1646    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285    1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492    1.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2956    0.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216    0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2956    1.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0508   -0.3266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3526    0.5182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956    0.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906   -0.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5370   -0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956    0.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5975   -0.2749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2853    0.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5370   -1.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0301   -0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2853   -1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0301   -1.2094    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
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 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
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 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
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,988)
1989

>  <Formula> (1,988)
C16H19N3O2S

>  <MolWeight> (1,988)
317.40596

>  <PCAT_CMPD_ID> (1,988)
WAY-297218

>  <CNC_ID> (1,988)
359343662

>  <transfer_container_id> (1,988)
PTN000000068

>  <COMPOUND_NUMBER> (1,988)
WAY-297218

>  <LOCATION_CODE> (1,988)
PTNCS

>  <AMOUNT_CURRENT> (1,988)
33.2

$$$$
WAY-297224
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.8753    0.5410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5684    0.1168    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9063    1.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1235    0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4960   -0.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1442   -0.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753    0.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1960    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5765    0.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3063   -1.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -1.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5316    1.3962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2960   -2.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -2.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2558    1.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4753   -2.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8558    1.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2316    2.6168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4960   -3.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8765    0.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5799    1.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7753   -3.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5799    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2937    1.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3040    0.6410    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  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  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 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
 23 25  1  0  0  0  0
  9 12  1  0  0  0  0
 14 16  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,989)
1990

>  <Formula> (1,989)
C17H19N3O4S

>  <MolWeight> (1,989)
361.41546

>  <PCAT_CMPD_ID> (1,989)
WAY-297224

>  <CNC_ID> (1,989)
359343668

>  <transfer_container_id> (1,989)
PTN000000068

>  <COMPOUND_NUMBER> (1,989)
WAY-297224

>  <LOCATION_CODE> (1,989)
PTNCS

>  <AMOUNT_CURRENT> (1,989)
33.4

$$$$
WAY-297232
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.2975   -0.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975    0.4984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6975   -0.5558    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3225   -0.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3225    0.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608   -0.0183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3400   -0.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8767   -0.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3608   -0.0183    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6775   -0.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608   -1.1558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8767    0.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3233    1.1192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4392   -0.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0392   -0.7016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4392    0.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3233   -0.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3400    0.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608    1.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6608    0.5609    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  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13 19  1  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16 12  2  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
  4  5  2  0  0  0  0
 16 14  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,990)
1991

>  <Formula> (1,990)
C13H15N3O2S2

>  <MolWeight> (1,990)
309.4071

>  <PCAT_CMPD_ID> (1,990)
WAY-297232

>  <CNC_ID> (1,990)
359343676

>  <transfer_container_id> (1,990)
PTN000000068

>  <COMPOUND_NUMBER> (1,990)
WAY-297232

>  <LOCATION_CODE> (1,990)
PTNCS

>  <AMOUNT_CURRENT> (1,990)
33.2

$$$$
WAY-297235
csChFnd80/10101909502D

 35 38  0  0  0  0  0  0  0  0999 V2000
   -0.2310    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2310    1.2897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    0.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4862    1.7034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6690    1.2966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759    0.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9414   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    0.4517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2034    1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828    2.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -1.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3724    2.5966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3828   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7483    0.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -0.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1103   -1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -1.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2000   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4345   -1.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0483   -0.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172   -2.1828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2586   -1.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2724    1.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2586   -1.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0069   -0.8828    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
  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
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 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
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 23 28  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 31  2  0  0  0  0
 27 32  1  0  0  0  0
 28 33  1  0  0  0  0
 29 34  1  0  0  0  0
 32 35  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 24 27  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,991)
1992

>  <Formula> (1,991)
C23H27F3N6O3

>  <MolWeight> (1,991)
492.4940896

>  <PCAT_CMPD_ID> (1,991)
WAY-297235

>  <CNC_ID> (1,991)
359343679

>  <transfer_container_id> (1,991)
PTN000000068

>  <COMPOUND_NUMBER> (1,991)
WAY-297235

>  <LOCATION_CODE> (1,991)
PTNCS

>  <AMOUNT_CURRENT> (1,991)
33.3

$$$$
WAY-297241
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.3207   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0345   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -0.2276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7483   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7517    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828   -1.4655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483   -0.6379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862   -0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9621    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6862    1.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4000    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1103    1.0103    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  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  1  0  0  0  0
 14 16  2  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
 19 20  1  0  0  0  0
  7 10  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,992)
1993

>  <Formula> (1,992)
C16H16ClNOS

>  <MolWeight> (1,992)
305.82234

>  <PCAT_CMPD_ID> (1,992)
WAY-297241

>  <CNC_ID> (1,992)
359343685

>  <transfer_container_id> (1,992)
PTN000000068

>  <COMPOUND_NUMBER> (1,992)
WAY-297241

>  <LOCATION_CODE> (1,992)
PTNCS

>  <AMOUNT_CURRENT> (1,992)
33.5

$$$$
WAY-297249
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
   -2.1448   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4931   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4483   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4483   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1069   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1069   -1.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7483   -0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4552    0.7862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7483   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1034   -0.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517    0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    1.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0517    1.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034    0.4103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7034    1.9103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3517    0.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034   -0.3414    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3517    1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0034    1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  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  2  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 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
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  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
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
  8 13  1  0  0  0  0
 12 15  2  0  0  0  0
 17 19  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,993)
1994

>  <Formula> (1,993)
C25H20N2O6

>  <MolWeight> (1,993)
444.4361

>  <PCAT_CMPD_ID> (1,993)
WAY-297249

>  <CNC_ID> (1,993)
359343693

>  <transfer_container_id> (1,993)
PTN000000068

>  <COMPOUND_NUMBER> (1,993)
WAY-297249

>  <LOCATION_CODE> (1,993)
PTNCS

>  <AMOUNT_CURRENT> (1,993)
33.2

$$$$
WAY-297321
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.1966   -0.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2897   -0.2241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1966   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7586   -1.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -0.7379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.5414   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3655    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897   -1.7862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8897   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0897   -3.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4414    1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3241    1.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241    0.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1414   -0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0586    1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0586    0.2966    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
  2  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
  8 12  1  0  0  0  0
  8 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
 15 17  2  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
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  9 12  1  0  0  0  0
 16 17  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,994)
1995

>  <Formula> (1,994)
C18H21NO4S

>  <MolWeight> (1,994)
347.42864

>  <PCAT_CMPD_ID> (1,994)
WAY-297321

>  <CNC_ID> (1,994)
359343765

>  <transfer_container_id> (1,994)
PTN000000068

>  <COMPOUND_NUMBER> (1,994)
WAY-297321

>  <LOCATION_CODE> (1,994)
PTNCS

>  <AMOUNT_CURRENT> (1,994)
33.4

$$$$
WAY-297396
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.0127   -0.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998   -0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2627   -0.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123   -0.3800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6377   -0.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3877   -0.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3706    1.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002   -0.8300    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  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
  8 12  2  0  0  0  0
 15 16  1  0  0  0  0
 11  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,995)
1996

>  <Formula> (1,995)
C15H16N4O

>  <MolWeight> (1,995)
268.31374

>  <PCAT_CMPD_ID> (1,995)
WAY-297396

>  <CNC_ID> (1,995)
359343840

>  <transfer_container_id> (1,995)
PTN000000068

>  <COMPOUND_NUMBER> (1,995)
WAY-297396

>  <LOCATION_CODE> (1,995)
PTNCS

>  <AMOUNT_CURRENT> (1,995)
33.3

$$$$
WAY-297449
csChFnd80/10101909502D

 28 33  0  0  0  0  0  0  0  0999 V2000
   -1.0034   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    1.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4207   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4724    2.0414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7414   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2414    2.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2414    3.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6793   -3.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1276   -1.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1276   -2.9138    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  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  2  0  0  0  0
  6 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  2  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 28  2  0  0  0  0
  7 14  1  0  0  0  0
 10 12  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 22 25  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,996)
1997

>  <Formula> (1,996)
C23H20N4O

>  <MolWeight> (1,996)
368.4311

>  <PCAT_CMPD_ID> (1,996)
WAY-297449

>  <CNC_ID> (1,996)
359343893

>  <transfer_container_id> (1,996)
PTN000000068

>  <COMPOUND_NUMBER> (1,996)
WAY-297449

>  <LOCATION_CODE> (1,996)
PTNCS

>  <AMOUNT_CURRENT> (1,996)
33.4

$$$$
WAY-297482
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.1828    0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8966   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2276   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6621   -0.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379   -1.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517   -1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3793    0.1897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0966   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  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
  9 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 16  2  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
 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
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 18 19  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,997)
1998

>  <Formula> (1,997)
C25H27N3O2

>  <MolWeight> (1,997)
401.50078

>  <PCAT_CMPD_ID> (1,997)
WAY-297482

>  <CNC_ID> (1,997)
359343926

>  <transfer_container_id> (1,997)
PTN000000068

>  <COMPOUND_NUMBER> (1,997)
WAY-297482

>  <LOCATION_CODE> (1,997)
PTNCS

>  <AMOUNT_CURRENT> (1,997)
33.2

$$$$
WAY-309607
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.8690   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1138   -0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0793   -1.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5310   -1.4552    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    0.4724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7448   -1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0931    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0207   -0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    0.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9828   -1.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448    1.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1483    2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -1.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621    2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 13 17  1  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
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
  6  8  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,998)
1999

>  <Formula> (1,998)
C15H12N2O3S2

>  <MolWeight> (1,998)
332.39738

>  <PCAT_CMPD_ID> (1,998)
WAY-309607

>  <CNC_ID> (1,998)
359422459

>  <transfer_container_id> (1,998)
PTN000000074

>  <COMPOUND_NUMBER> (1,998)
WAY-309607

>  <LOCATION_CODE> (1,998)
PTNCS

>  <AMOUNT_CURRENT> (1,998)
33

$$$$
WAY-278778
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.4458    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000    1.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    0.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000    1.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8000    0.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -1.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7542   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1208    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8458    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458    3.1833    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  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 11  2  0  0  0  0
 15  3  1  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
  6  5  2  0  0  0  0
 14 16  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,999)
2000

>  <Formula> (1,999)
C14H16N2O2S

>  <MolWeight> (1,999)
276.35404

>  <PCAT_CMPD_ID> (1,999)
WAY-278778

>  <CNC_ID> (1,999)
359327498

>  <transfer_container_id> (1,999)
PTN000000067

>  <COMPOUND_NUMBER> (1,999)
WAY-278778

>  <LOCATION_CODE> (1,999)
PTNCS

>  <AMOUNT_CURRENT> (1,999)
32.5

$$$$
WAY-278424
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -1.3208   -0.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458   -0.0917    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3542   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    0.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -1.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0625   -1.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.2458    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -1.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6625   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7625   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7375   -1.1542    0.0000 O   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  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  2  0  0  0  0
 11  1  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  1  0  0  0  0
  9 14  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,000)
2001

>  <Formula> (2,000)
C12H18O3

>  <MolWeight> (2,000)
210.26952

>  <PCAT_CMPD_ID> (2,000)
WAY-278424

>  <CNC_ID> (2,000)
359327144

>  <transfer_container_id> (2,000)
PTN000000067

>  <COMPOUND_NUMBER> (2,000)
WAY-278424

>  <LOCATION_CODE> (2,000)
PTNCS

>  <AMOUNT_CURRENT> (2,000)
32.5

$$$$
WAY-278492-A
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.7049    0.3359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799    1.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4609    0.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1741   -0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1259   -2.1361    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  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  2  0  0  0  0
 14 10  1  0  0  0  0
 12 15  2  0  0  0  0
 16 13  1  0  0  0  0
 14 17  2  0  0  0  0
 18 16  2  0  0  0  0
 19 15  1  0  0  0  0
 20  9  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 18  1  0  0  0  0
  5  4  1  0  0  0  0
 17 18  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,001)
2002

>  <Formula> (2,001)
C17H14BrN3OS

>  <MolWeight> (2,001)
388.28156

>  <PCAT_CMPD_ID> (2,001)
WAY-278492-A

>  <CNC_ID> (2,001)
359327212

>  <transfer_container_id> (2,001)
PTN000000067

>  <COMPOUND_NUMBER> (2,001)
WAY-278492-A

>  <LOCATION_CODE> (2,001)
PTNCS

>  <AMOUNT_CURRENT> (2,001)
32.5

$$$$
WAY-625121
csChFnd80/10101909502D

 30 32  0  0  1  0  0  0  0  0999 V2000
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   -0.6250   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 11  1  0  0  0  0
  8  3  1  1  0  0  0
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 10  4  1  0  0  0  0
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 23 21  2  0  0  0  0
 24 20  1  0  0  0  0
 25 19  1  0  0  0  0
 26  6  1  0  0  0  0
 27 22  1  0  0  0  0
 28 22  1  0  0  0  0
 29 25  1  0  0  0  0
 30 24  1  0  0  0  0
  7  5  1  0  0  0  0
 13 12  2  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,002)
2003

>  <Formula> (2,002)
C22H25N3O4S

>  <MolWeight> (2,002)
427.5166

>  <PCAT_CMPD_ID> (2,002)
WAY-625121

>  <CNC_ID> (2,002)
359333930

>  <transfer_container_id> (2,002)
PTN000000067

>  <COMPOUND_NUMBER> (2,002)
WAY-625121

>  <LOCATION_CODE> (2,002)
PTNCS

>  <AMOUNT_CURRENT> (2,002)
32.7

$$$$
WAY-625331
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -0.4583    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  8  2  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  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14  7  2  0  0  0  0
 15 11  1  0  0  0  0
 16  5  2  0  0  0  0
 17 12  1  0  0  0  0
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22  9  2  0  0  0  0
 23 24  2  0  0  0  0
 24 22  1  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
  3  2  1  0  0  0  0
 19 17  2  0  0  0  0
 23 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,003)
2004

>  <Formula> (2,003)
C19H16FN3O3

>  <MolWeight> (2,003)
353.3470432

>  <PCAT_CMPD_ID> (2,003)
WAY-625331

>  <CNC_ID> (2,003)
359334140

>  <transfer_container_id> (2,003)
PTN000000067

>  <COMPOUND_NUMBER> (2,003)
WAY-625331

>  <LOCATION_CODE> (2,003)
PTNCS

>  <AMOUNT_CURRENT> (2,003)
32.7

$$$$
WAY-625464
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.9375    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1125    0.0583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1250   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6375    0.4708    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  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  2  0  0  0  0
 16 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19  4  1  0  0  0  0
 20 14  1  0  0  0  0
 21  6  1  0  0  0  0
 22 19  2  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 22  1  0  0  0  0
 26 24  2  0  0  0  0
 27 23  2  0  0  0  0
  9  8  2  0  0  0  0
 26 27  1  0  0  0  0
 25 14  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,004)
2005

>  <Formula> (2,004)
C21H15ClN2O2S

>  <MolWeight> (2,004)
394.874

>  <PCAT_CMPD_ID> (2,004)
WAY-625464

>  <CNC_ID> (2,004)
359334273

>  <transfer_container_id> (2,004)
PTN000000067

>  <COMPOUND_NUMBER> (2,004)
WAY-625464

>  <LOCATION_CODE> (2,004)
PTNCS

>  <AMOUNT_CURRENT> (2,004)
32.8

$$$$
WAY-626571
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.1083   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -2.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7 14  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  2  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  6  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  1  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20  5  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  2  0  0  0  0
 25 23  2  0  0  0  0
  3  5  2  0  0  0  0
 25 24  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,005)
2006

>  <Formula> (2,005)
C19H18FN3O2

>  <MolWeight> (2,005)
339.3635232

>  <PCAT_CMPD_ID> (2,005)
WAY-626571

>  <CNC_ID> (2,005)
359335378

>  <transfer_container_id> (2,005)
PTN000000067

>  <COMPOUND_NUMBER> (2,005)
WAY-626571

>  <LOCATION_CODE> (2,005)
PTNCS

>  <AMOUNT_CURRENT> (2,005)
32.8

$$$$
WAY-626716
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
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  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 22  1  0  0  0  0
 15  9  2  0  0  0  0
 16 14  1  0  0  0  0
 17 10  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  2  0  0  0  0
 21 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 10  1  0  0  0  0
 24 27  2  0  0  0  0
 25 18  2  0  0  0  0
 26 18  1  0  0  0  0
 27 20  1  0  0  0  0
 28 19  2  0  0  0  0
 29 24  1  0  0  0  0
 30 16  1  0  0  0  0
 31 16  1  0  0  0  0
 32 23  1  0  0  0  0
 33 32  1  0  0  0  0
  5  7  1  0  0  0  0
  8  3  1  0  0  0  0
 24 28  1  0  0  0  0
 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,006)
2007

>  <Formula> (2,006)
C25H21ClN2O4S

>  <MolWeight> (2,006)
480.96324

>  <PCAT_CMPD_ID> (2,006)
WAY-626716

>  <CNC_ID> (2,006)
359335522

>  <transfer_container_id> (2,006)
PTN000000067

>  <COMPOUND_NUMBER> (2,006)
WAY-626716

>  <LOCATION_CODE> (2,006)
PTNCS

>  <AMOUNT_CURRENT> (2,006)
32.6

$$$$
WAY-627023
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    2.4375   -1.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333   -1.4042    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4208   -2.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -2.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4208    3.1333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    0.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8458    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.8958    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  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12  2  2  0  0  0  0
 13 18  1  0  0  0  0
 14  3  1  0  0  0  0
 15  5  1  0  0  0  0
 16  9  2  0  0  0  0
 17  8  1  0  0  0  0
 18 15  2  0  0  0  0
 19  9  1  0  0  0  0
 20 13  1  0  0  0  0
 21  7  1  0  0  0  0
 22 10  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 14 17  2  0  0  0  0
 13 10  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,007)
2008

>  <Formula> (2,007)
C17H11ClN2O4

>  <MolWeight> (2,007)
342.73324

>  <PCAT_CMPD_ID> (2,007)
WAY-627023

>  <CNC_ID> (2,007)
359335827

>  <transfer_container_id> (2,007)
PTN000000067

>  <COMPOUND_NUMBER> (2,007)
WAY-627023

>  <LOCATION_CODE> (2,007)
PTNCS

>  <AMOUNT_CURRENT> (2,007)
32.9

$$$$
WAY-627532
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.9000   -0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8458    2.0500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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   -1.1958   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4333    2.7708    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   -2.8458    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -0.2167    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1458   -2.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5 14  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  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 10  1  0  0  0  0
 12  7  2  0  0  0  0
 13 12  1  0  0  0  0
 14 21  2  0  0  0  0
 15  5  1  0  0  0  0
 16  9  1  0  0  0  0
 17  5  2  0  0  0  0
 18  9  2  0  0  0  0
 19  8  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  2  0  0  0  0
 24 11  1  0  0  0  0
 25  3  1  0  0  0  0
  2  3  1  0  0  0  0
 11 13  2  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,008)
2009

>  <Formula> (2,008)
C17H11BrN2O5

>  <MolWeight> (2,008)
403.18364

>  <PCAT_CMPD_ID> (2,008)
WAY-627532

>  <CNC_ID> (2,008)
359336336

>  <transfer_container_id> (2,008)
PTN000000067

>  <COMPOUND_NUMBER> (2,008)
WAY-627532

>  <LOCATION_CODE> (2,008)
PTNCS

>  <AMOUNT_CURRENT> (2,008)
32.6

$$$$
WAY-627725
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.0375   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167   -0.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5333    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    1.9875    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  2  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  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  2  0  0  0  0
 18 10  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  5  2  1  0  0  0  0
 19 15  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,009)
2010

>  <Formula> (2,009)
C17H12F3NO

>  <MolWeight> (2,009)
303.2784896

>  <PCAT_CMPD_ID> (2,009)
WAY-627725

>  <CNC_ID> (2,009)
359336529

>  <transfer_container_id> (2,009)
PTN000000067

>  <COMPOUND_NUMBER> (2,009)
WAY-627725

>  <LOCATION_CODE> (2,009)
PTNCS

>  <AMOUNT_CURRENT> (2,009)
32.8

$$$$
WAY-627328
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4224    0.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4224    1.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056    0.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6156    0.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4254   -2.4139    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  2  1  0  0  0  0
  7  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 12  1  0  0  0  0
 12 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  1  0  0  0  0
 20 15  2  0  0  0  0
 19 21  2  0  0  0  0
  4  5  1  0  0  0  0
 13 17  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,010)
2011

>  <Formula> (2,010)
C17H13NO3

>  <MolWeight> (2,010)
279.29002

>  <PCAT_CMPD_ID> (2,010)
WAY-627328

>  <CNC_ID> (2,010)
359336132

>  <transfer_container_id> (2,010)
PTN000000067

>  <COMPOUND_NUMBER> (2,010)
WAY-627328

>  <LOCATION_CODE> (2,010)
PTNCS

>  <AMOUNT_CURRENT> (2,010)
32.3

$$$$
WAY-627430
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.4583   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1708   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1167    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  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 10  1  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 20 15  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 12  4  1  0  0  0  0
  9  6  1  0  0  0  0
 11 13  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,011)
2012

>  <Formula> (2,011)
C15H12N4O3

>  <MolWeight> (2,011)
296.28078

>  <PCAT_CMPD_ID> (2,011)
WAY-627430

>  <CNC_ID> (2,011)
359336234

>  <transfer_container_id> (2,011)
PTN000000067

>  <COMPOUND_NUMBER> (2,011)
WAY-627430

>  <LOCATION_CODE> (2,011)
PTNCS

>  <AMOUNT_CURRENT> (2,011)
32.8

$$$$
WAY-644194
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.2583    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    1.9083    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7833   -1.1167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5583    0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6208    1.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000    2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    2.7875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -3.0125    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  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  1  2  0  0  0  0
  9  8  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13  2  2  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 16 14  2  0  0  0  0
  7  5  2  0  0  0  0
M  END
>  <Mol_ID> (2,012)
2013

>  <Formula> (2,012)
C11H11ClN4O2S2

>  <MolWeight> (2,012)
330.81364

>  <PCAT_CMPD_ID> (2,012)
WAY-644194

>  <CNC_ID> (2,012)
359336866

>  <transfer_container_id> (2,012)
PTN000000067

>  <COMPOUND_NUMBER> (2,012)
WAY-644194

>  <LOCATION_CODE> (2,012)
PTNCS

>  <AMOUNT_CURRENT> (2,012)
32.4

$$$$
GI-531453
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.7393    1.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0844   -4.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3769   -1.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485   -4.9700    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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 20 26  2  0  0  0  0
 20 27  1  0  0  0  0
 26 28  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,013)
2014

>  <Formula> (2,013)
C21H22O7

>  <MolWeight> (2,013)
386.39518

>  <PCAT_CMPD_ID> (2,013)
GI-531453

>  <CNC_ID> (2,013)
359313655

>  <transfer_container_id> (2,013)
PTN000000065

>  <COMPOUND_NUMBER> (2,013)
GI-531453

>  <LOCATION_CODE> (2,013)
PTNCS

>  <AMOUNT_CURRENT> (2,013)
33.6

$$$$
WAY-345579
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.1917   -9.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2292   -7.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1167  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0750  -11.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1417   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0375  -12.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0292   -9.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -12.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 13  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  1  2  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18  8  1  0  0  0  0
 19  6  2  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  9  1  0  0  0  0
 23  8  1  0  0  0  0
 24 16  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
 12  3  1  0  0  0  0
  9 16  2  0  0  0  0
 25 26  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,014)
2015

>  <Formula> (2,014)
C22H21ClN2O

>  <MolWeight> (2,014)
364.86794

>  <PCAT_CMPD_ID> (2,014)
WAY-345579

>  <CNC_ID> (2,014)
359320836

>  <transfer_container_id> (2,014)
PTN000000065

>  <COMPOUND_NUMBER> (2,014)
WAY-345579

>  <LOCATION_CODE> (2,014)
PTNCS

>  <AMOUNT_CURRENT> (2,014)
32.5

$$$$
WAY-311083
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.8565   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8565    0.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3883    1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  6 11  2  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  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  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,015)
2016

>  <Formula> (2,015)
C17H17NO3

>  <MolWeight> (2,015)
283.32178

>  <PCAT_CMPD_ID> (2,015)
WAY-311083

>  <CNC_ID> (2,015)
359314825

>  <transfer_container_id> (2,015)
PTN000000065

>  <COMPOUND_NUMBER> (2,015)
WAY-311083

>  <LOCATION_CODE> (2,015)
PTNCS

>  <AMOUNT_CURRENT> (2,015)
33.2

$$$$
WAY-343755
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.4758   -0.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5378   -0.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  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
  6 11  2  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
 10 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
 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
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  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
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,016)
2017

>  <Formula> (2,016)
C21H23N3O2

>  <MolWeight> (2,016)
349.42622

>  <PCAT_CMPD_ID> (2,016)
WAY-343755

>  <CNC_ID> (2,016)
359319096

>  <transfer_container_id> (2,016)
PTN000000065

>  <COMPOUND_NUMBER> (2,016)
WAY-343755

>  <LOCATION_CODE> (2,016)
PTNCS

>  <AMOUNT_CURRENT> (2,016)
32.3

$$$$
WAY-313063
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.9519   -0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7174    0.2588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968   -0.4515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830   -1.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0071    0.4864    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
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  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  2  0  0  0  0
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 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  7  2  0  0  0  0
  9 13  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,017)
2018

>  <Formula> (2,017)
C14H13N3O2S

>  <MolWeight> (2,017)
287.33692

>  <PCAT_CMPD_ID> (2,017)
WAY-313063

>  <CNC_ID> (2,017)
359328100

>  <transfer_container_id> (2,017)
PTN000000067

>  <COMPOUND_NUMBER> (2,017)
WAY-313063

>  <LOCATION_CODE> (2,017)
PTNCS

>  <AMOUNT_CURRENT> (2,017)
33.1

$$$$
WAY-310981
csChFnd80/10101909502D

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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  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
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8  9  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,018)
2019

>  <Formula> (2,018)
C15H16FN3O5

>  <MolWeight> (2,018)
337.3030432

>  <PCAT_CMPD_ID> (2,018)
WAY-310981

>  <CNC_ID> (2,018)
359314723

>  <transfer_container_id> (2,018)
PTN000000065

>  <COMPOUND_NUMBER> (2,018)
WAY-310981

>  <LOCATION_CODE> (2,018)
PTNCS

>  <AMOUNT_CURRENT> (2,018)
33.2

$$$$
WAY-345588
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  2  0  0  0  0
  6  4  2  0  0  0  0
  7 20  1  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10 17  2  0  0  0  0
 11  1  1  0  0  0  0
 12  5  1  0  0  0  0
 13 10  1  0  0  0  0
 14  1  2  0  0  0  0
 15  3  2  0  0  0  0
 16  7  2  0  0  0  0
 17 15  1  0  0  0  0
 18  4  1  0  0  0  0
 19 22  1  0  0  0  0
 20 11  1  0  0  0  0
 21  6  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
  5 10  1  0  0  0  0
 25 24  1  0  0  0  0
 19  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,019)
2020

>  <Formula> (2,019)
C17H13Br2NO5

>  <MolWeight> (2,019)
471.09682

>  <PCAT_CMPD_ID> (2,019)
WAY-345588

>  <CNC_ID> (2,019)
359320845

>  <transfer_container_id> (2,019)
PTN000000065

>  <COMPOUND_NUMBER> (2,019)
WAY-345588

>  <LOCATION_CODE> (2,019)
PTNCS

>  <AMOUNT_CURRENT> (2,019)
32.6

$$$$
WAY-310933
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
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 10 13  1  0  0  0  0
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 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
  6  9  1  0  0  0  0
 19 23  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,020)
2021

>  <Formula> (2,020)
C19H19N3O5

>  <MolWeight> (2,020)
369.37126

>  <PCAT_CMPD_ID> (2,020)
WAY-310933

>  <CNC_ID> (2,020)
359314675

>  <transfer_container_id> (2,020)
PTN000000065

>  <COMPOUND_NUMBER> (2,020)
WAY-310933

>  <LOCATION_CODE> (2,020)
PTNCS

>  <AMOUNT_CURRENT> (2,020)
33.1

$$$$
WAY-311884
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  2  0  0  0  0
 13 10  2  0  0  0  0
 14  2  1  0  0  0  0
 15  5  2  0  0  0  0
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 17  6  2  0  0  0  0
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 23 20  1  0  0  0  0
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 25 24  1  0  0  0  0
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 21 15  1  0  0  0  0
 19 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,021)
2022

>  <Formula> (2,021)
C19H19N3O3

>  <MolWeight> (2,021)
337.37246

>  <PCAT_CMPD_ID> (2,021)
WAY-311884

>  <CNC_ID> (2,021)
359315625

>  <transfer_container_id> (2,021)
PTN000000065

>  <COMPOUND_NUMBER> (2,021)
WAY-311884

>  <LOCATION_CODE> (2,021)
PTNCS

>  <AMOUNT_CURRENT> (2,021)
33.2

$$$$
WAY-344202
csChFnd80/10101909502D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 13  7  2  0  0  0  0
 14  2  2  0  0  0  0
 15  9  2  0  0  0  0
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 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
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 24  5  1  0  0  0  0
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 26  7  1  0  0  0  0
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 13 19  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,022)
2023

>  <Formula> (2,022)
C28H27NO5

>  <MolWeight> (2,022)
457.51768

>  <PCAT_CMPD_ID> (2,022)
WAY-344202

>  <CNC_ID> (2,022)
359319537

>  <transfer_container_id> (2,022)
PTN000000065

>  <COMPOUND_NUMBER> (2,022)
WAY-344202

>  <LOCATION_CODE> (2,022)
PTNCS

>  <AMOUNT_CURRENT> (2,022)
32.9

$$$$
WAY-314334
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  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
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  6 12  1  0  0  0  0
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 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
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 13 18  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
  9 11  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,023)
2024

>  <Formula> (2,023)
C15H18ClN3O4S

>  <MolWeight> (2,023)
371.83912

>  <PCAT_CMPD_ID> (2,023)
WAY-314334

>  <CNC_ID> (2,023)
359329370

>  <transfer_container_id> (2,023)
PTN000000067

>  <COMPOUND_NUMBER> (2,023)
WAY-314334

>  <LOCATION_CODE> (2,023)
PTNCS

>  <AMOUNT_CURRENT> (2,023)
33

$$$$
WAY-225381
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  2  0  0  0  0
 10  2  2  0  0  0  0
 11  5  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
  7  3  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,024)
2025

>  <Formula> (2,024)
C16H24N2O4S

>  <MolWeight> (2,024)
340.43776

>  <PCAT_CMPD_ID> (2,024)
WAY-225381

>  <CNC_ID> (2,024)
359313854

>  <transfer_container_id> (2,024)
PTN000000065

>  <COMPOUND_NUMBER> (2,024)
WAY-225381

>  <LOCATION_CODE> (2,024)
PTNCS

>  <AMOUNT_CURRENT> (2,024)
33.7

$$$$
WAY-313060
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6  9  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,025)
2026

>  <Formula> (2,025)
C17H18N2O4

>  <MolWeight> (2,025)
314.33582

>  <PCAT_CMPD_ID> (2,025)
WAY-313060

>  <CNC_ID> (2,025)
359328097

>  <transfer_container_id> (2,025)
PTN000000067

>  <COMPOUND_NUMBER> (2,025)
WAY-313060

>  <LOCATION_CODE> (2,025)
PTNCS

>  <AMOUNT_CURRENT> (2,025)
33.5

$$$$
WAY-118267
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
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 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
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 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,026)
2027

>  <Formula> (2,026)
C13H17N3OS

>  <MolWeight> (2,026)
263.35858

>  <PCAT_CMPD_ID> (2,026)
WAY-118267

>  <CNC_ID> (2,026)
359313737

>  <transfer_container_id> (2,026)
PTN000000065

>  <COMPOUND_NUMBER> (2,026)
WAY-118267

>  <LOCATION_CODE> (2,026)
PTNCS

>  <AMOUNT_CURRENT> (2,026)
33.5

$$$$
WAY-311205
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,027)
2028

>  <Formula> (2,027)
C16H11N3O2

>  <MolWeight> (2,027)
277.27744

>  <PCAT_CMPD_ID> (2,027)
WAY-311205

>  <CNC_ID> (2,027)
359314946

>  <transfer_container_id> (2,027)
PTN000000065

>  <COMPOUND_NUMBER> (2,027)
WAY-311205

>  <LOCATION_CODE> (2,027)
PTNCS

>  <AMOUNT_CURRENT> (2,027)
33.4

$$$$
WAY-114249
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
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 13 17  2  0  0  0  0
 16 18  2  0  0  0  0
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 18 20  1  0  0  0  0
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  5  7  2  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,028)
2029

>  <Formula> (2,028)
C17H16N2O3

>  <MolWeight> (2,028)
296.32054

>  <PCAT_CMPD_ID> (2,028)
WAY-114249

>  <CNC_ID> (2,028)
359313694

>  <transfer_container_id> (2,028)
PTN000000065

>  <COMPOUND_NUMBER> (2,028)
WAY-114249

>  <LOCATION_CODE> (2,028)
PTNCS

>  <AMOUNT_CURRENT> (2,028)
33.9

$$$$
WAY-227041
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 17 20  2  0  0  0  0
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 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
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 13 18  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,029)
2030

>  <Formula> (2,029)
C20H19N3O2

>  <MolWeight> (2,029)
333.38376

>  <PCAT_CMPD_ID> (2,029)
WAY-227041

>  <CNC_ID> (2,029)
359313864

>  <transfer_container_id> (2,029)
PTN000000065

>  <COMPOUND_NUMBER> (2,029)
WAY-227041

>  <LOCATION_CODE> (2,029)
PTNCS

>  <AMOUNT_CURRENT> (2,029)
33.9

$$$$
WAY-311604
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
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 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
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 21 12  1  0  0  0  0
 11 13  1  0  0  0  0
  7  3  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,030)
2031

>  <Formula> (2,030)
C16H22N4O

>  <MolWeight> (2,030)
286.37208

>  <PCAT_CMPD_ID> (2,030)
WAY-311604

>  <CNC_ID> (2,030)
359315345

>  <transfer_container_id> (2,030)
PTN000000065

>  <COMPOUND_NUMBER> (2,030)
WAY-311604

>  <LOCATION_CODE> (2,030)
PTNCS

>  <AMOUNT_CURRENT> (2,030)
33.7

$$$$
WAY-224029
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,031)
2032

>  <Formula> (2,031)
C19H20ClN3O2

>  <MolWeight> (2,031)
357.834

>  <PCAT_CMPD_ID> (2,031)
WAY-224029

>  <CNC_ID> (2,031)
359313842

>  <transfer_container_id> (2,031)
PTN000000065

>  <COMPOUND_NUMBER> (2,031)
WAY-224029

>  <LOCATION_CODE> (2,031)
PTNCS

>  <AMOUNT_CURRENT> (2,031)
33.4

$$$$
WAY-311002
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,032)
2033

>  <Formula> (2,032)
C13H10FN3S

>  <MolWeight> (2,032)
259.3020032

>  <PCAT_CMPD_ID> (2,032)
WAY-311002

>  <CNC_ID> (2,032)
359314744

>  <transfer_container_id> (2,032)
PTN000000065

>  <COMPOUND_NUMBER> (2,032)
WAY-311002

>  <LOCATION_CODE> (2,032)
PTNCS

>  <AMOUNT_CURRENT> (2,032)
33.1

$$$$
WAY-311013
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5 10  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
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 13 18  2  0  0  0  0
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 17 20  2  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  5  9  1  0  0  0  0
 12 13  1  0  0  0  0
 15 19  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,033)
2034

>  <Formula> (2,033)
C20H19N3O

>  <MolWeight> (2,033)
317.38436

>  <PCAT_CMPD_ID> (2,033)
WAY-311013

>  <CNC_ID> (2,033)
359314755

>  <transfer_container_id> (2,033)
PTN000000065

>  <COMPOUND_NUMBER> (2,033)
WAY-311013

>  <LOCATION_CODE> (2,033)
PTNCS

>  <AMOUNT_CURRENT> (2,033)
33.2

$$$$
WAY-312299
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11 16  1  0  0  0  0
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 15 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,034)
2035

>  <Formula> (2,034)
C16H14F3N3O

>  <MolWeight> (2,034)
321.2970696

>  <PCAT_CMPD_ID> (2,034)
WAY-312299

>  <CNC_ID> (2,034)
359316039

>  <transfer_container_id> (2,034)
PTN000000065

>  <COMPOUND_NUMBER> (2,034)
WAY-312299

>  <LOCATION_CODE> (2,034)
PTNCS

>  <AMOUNT_CURRENT> (2,034)
33.9

$$$$
WL-64792
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,035)
2036

>  <Formula> (2,035)
C6H6N4O2

>  <MolWeight> (2,035)
166.13744

>  <PCAT_CMPD_ID> (2,035)
WL-64792

>  <CNC_ID> (2,035)
359339829

>  <transfer_container_id> (2,035)
PTN000000067

>  <COMPOUND_NUMBER> (2,035)
WL-64792

>  <LOCATION_CODE> (2,035)
PTNCS

>  <AMOUNT_CURRENT> (2,035)
33

$$$$
CL-196901
csChFnd80/10101909502D

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  1  2  1  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,036)
2037

>  <Formula> (2,036)
C15H17NO3

>  <MolWeight> (2,036)
259.30038

>  <PCAT_CMPD_ID> (2,036)
CL-196901

>  <CNC_ID> (2,036)
359339839

>  <transfer_container_id> (2,036)
PTN000000068

>  <COMPOUND_NUMBER> (2,036)
CL-196901

>  <LOCATION_CODE> (2,036)
PTNCS

>  <AMOUNT_CURRENT> (2,036)
33.1

$$$$
CL-421053
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 13 18  1  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,037)
2038

>  <Formula> (2,037)
C17H15ClN2O3

>  <MolWeight> (2,037)
330.7656

>  <PCAT_CMPD_ID> (2,037)
CL-421053

>  <CNC_ID> (2,037)
359339931

>  <transfer_container_id> (2,037)
PTN000000068

>  <COMPOUND_NUMBER> (2,037)
CL-421053

>  <LOCATION_CODE> (2,037)
PTNCS

>  <AMOUNT_CURRENT> (2,037)
33.4

$$$$
GI-529507
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.2482    1.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8 10  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,038)
2040

>  <Formula> (2,038)
C14H14N2O

>  <MolWeight> (2,038)
226.27376

>  <PCAT_CMPD_ID> (2,038)
GI-529507

>  <CNC_ID> (2,038)
359339981

>  <transfer_container_id> (2,038)
PTN000000068

>  <COMPOUND_NUMBER> (2,038)
GI-529507

>  <LOCATION_CODE> (2,038)
PTNCS

>  <AMOUNT_CURRENT> (2,038)
33.1

$$$$
GI-555852
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -2.4018   -0.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  5 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  6  7  2  0  0  0  0
  9 11  2  0  0  0  0
 17 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,039)
2041

>  <Formula> (2,039)
C14H13N7O

>  <MolWeight> (2,039)
295.29932

>  <PCAT_CMPD_ID> (2,039)
GI-555852

>  <CNC_ID> (2,039)
359339985

>  <transfer_container_id> (2,039)
PTN000000068

>  <COMPOUND_NUMBER> (2,039)
GI-555852

>  <LOCATION_CODE> (2,039)
PTNCS

>  <AMOUNT_CURRENT> (2,039)
33.2

$$$$
GI-568247
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.1468   -0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2019    0.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0537    0.3463    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1468   -1.4847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2571   -0.2640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2019    1.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9981   -0.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
  8  9  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,040)
2042

>  <Formula> (2,040)
C10H9N3O2S

>  <MolWeight> (2,040)
235.26236

>  <PCAT_CMPD_ID> (2,040)
GI-568247

>  <CNC_ID> (2,040)
359339995

>  <transfer_container_id> (2,040)
PTN000000068

>  <COMPOUND_NUMBER> (2,040)
GI-568247

>  <LOCATION_CODE> (2,040)
PTNCS

>  <AMOUNT_CURRENT> (2,040)
33.2

$$$$
WAY-117082
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
    4.9245    2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7049    2.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6874    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  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  2  0  0  0  0
  6  4  1  0  0  0  0
  7  9  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,041)
2043

>  <Formula> (2,041)
C10H7N3O2

>  <MolWeight> (2,041)
201.18148

>  <PCAT_CMPD_ID> (2,041)
WAY-117082

>  <CNC_ID> (2,041)
359340066

>  <transfer_container_id> (2,041)
PTN000000068

>  <COMPOUND_NUMBER> (2,041)
WAY-117082

>  <LOCATION_CODE> (2,041)
PTNCS

>  <AMOUNT_CURRENT> (2,041)
33.3

$$$$
WAY-228218
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.3370    3.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  2  1  0  0  0  0
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 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13 20  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 10  1  0  0  0  0
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 18 12  1  0  0  0  0
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 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
  7  4  1  0  0  0  0
 13 21  1  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,042)
2044

>  <Formula> (2,042)
C19H18ClNO2

>  <MolWeight> (2,042)
327.80472

>  <PCAT_CMPD_ID> (2,042)
WAY-228218

>  <CNC_ID> (2,042)
359340201

>  <transfer_container_id> (2,042)
PTN000000068

>  <COMPOUND_NUMBER> (2,042)
WAY-228218

>  <LOCATION_CODE> (2,042)
PTNCS

>  <AMOUNT_CURRENT> (2,042)
33.2

$$$$
WAY-232792
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6087    2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
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 18 10  2  0  0  0  0
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 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 16 12  2  0  0  0  0
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 19 21  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,043)
2045

>  <Formula> (2,043)
C17H12BrNOS

>  <MolWeight> (2,043)
358.25228

>  <PCAT_CMPD_ID> (2,043)
WAY-232792

>  <CNC_ID> (2,043)
359340245

>  <transfer_container_id> (2,043)
PTN000000068

>  <COMPOUND_NUMBER> (2,043)
WAY-232792

>  <LOCATION_CODE> (2,043)
PTNCS

>  <AMOUNT_CURRENT> (2,043)
33.2

$$$$
WAY-236314-A
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,044)
2046

>  <Formula> (2,044)
C16H17N3O4

>  <MolWeight> (2,044)
315.32388

>  <PCAT_CMPD_ID> (2,044)
WAY-236314-A

>  <CNC_ID> (2,044)
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>  <transfer_container_id> (2,044)
PTN000000068

>  <COMPOUND_NUMBER> (2,044)
WAY-236314-A

>  <LOCATION_CODE> (2,044)
PTNCS

>  <AMOUNT_CURRENT> (2,044)
33.2

$$$$
WAY-236611-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,045)
2047

>  <Formula> (2,045)
C18H24N2O3

>  <MolWeight> (2,045)
316.39476

>  <PCAT_CMPD_ID> (2,045)
WAY-236611-A

>  <CNC_ID> (2,045)
359340300

>  <transfer_container_id> (2,045)
PTN000000068

>  <COMPOUND_NUMBER> (2,045)
WAY-236611-A

>  <LOCATION_CODE> (2,045)
PTNCS

>  <AMOUNT_CURRENT> (2,045)
33.3

$$$$
WAY-240697-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,046)
2048

>  <Formula> (2,046)
C16H24N2O4

>  <MolWeight> (2,046)
308.37276

>  <PCAT_CMPD_ID> (2,046)
WAY-240697-A

>  <CNC_ID> (2,046)
359340356

>  <transfer_container_id> (2,046)
PTN000000068

>  <COMPOUND_NUMBER> (2,046)
WAY-240697-A

>  <LOCATION_CODE> (2,046)
PTNCS

>  <AMOUNT_CURRENT> (2,046)
33.3

$$$$
WAY-296468
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,047)
2049

>  <Formula> (2,047)
C13H15N3OS

>  <MolWeight> (2,047)
261.3427

>  <PCAT_CMPD_ID> (2,047)
WAY-296468

>  <CNC_ID> (2,047)
359342912

>  <transfer_container_id> (2,047)
PTN000000068

>  <COMPOUND_NUMBER> (2,047)
WAY-296468

>  <LOCATION_CODE> (2,047)
PTNCS

>  <AMOUNT_CURRENT> (2,047)
33.1

$$$$
WAY-296472
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,048)
2050

>  <Formula> (2,048)
C18H18N2O5

>  <MolWeight> (2,048)
342.34592

>  <PCAT_CMPD_ID> (2,048)
WAY-296472

>  <CNC_ID> (2,048)
359342916

>  <transfer_container_id> (2,048)
PTN000000068

>  <COMPOUND_NUMBER> (2,048)
WAY-296472

>  <LOCATION_CODE> (2,048)
PTNCS

>  <AMOUNT_CURRENT> (2,048)
33.4

$$$$
WAY-296553
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,049)
2051

>  <Formula> (2,049)
C19H21FN2OS

>  <MolWeight> (2,049)
344.4462432

>  <PCAT_CMPD_ID> (2,049)
WAY-296553

>  <CNC_ID> (2,049)
359342997

>  <transfer_container_id> (2,049)
PTN000000068

>  <COMPOUND_NUMBER> (2,049)
WAY-296553

>  <LOCATION_CODE> (2,049)
PTNCS

>  <AMOUNT_CURRENT> (2,049)
33.4

$$$$
WAY-296652
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,050)
2052

>  <Formula> (2,050)
C17H15N3OS

>  <MolWeight> (2,050)
309.3855

>  <PCAT_CMPD_ID> (2,050)
WAY-296652

>  <CNC_ID> (2,050)
359343096

>  <transfer_container_id> (2,050)
PTN000000068

>  <COMPOUND_NUMBER> (2,050)
WAY-296652

>  <LOCATION_CODE> (2,050)
PTNCS

>  <AMOUNT_CURRENT> (2,050)
33.2

$$$$
WAY-296680
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
  9 13  1  0  0  0  0
 16 17  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,051)
2053

>  <Formula> (2,051)
C17H15ClN2O3

>  <MolWeight> (2,051)
330.7656

>  <PCAT_CMPD_ID> (2,051)
WAY-296680

>  <CNC_ID> (2,051)
359343124

>  <transfer_container_id> (2,051)
PTN000000068

>  <COMPOUND_NUMBER> (2,051)
WAY-296680

>  <LOCATION_CODE> (2,051)
PTNCS

>  <AMOUNT_CURRENT> (2,051)
33.4

$$$$
WAY-296717
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10 13  2  0  0  0  0
 11 10  1  0  0  0  0
 12  4  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
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 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
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 20  5  1  0  0  0  0
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 23 14  2  0  0  0  0
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  5  2  1  0  0  0  0
 21 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,052)
2054

>  <Formula> (2,052)
C15H13ClF3N3O2

>  <MolWeight> (2,052)
359.7308296

>  <PCAT_CMPD_ID> (2,052)
WAY-296717

>  <CNC_ID> (2,052)
359343161

>  <transfer_container_id> (2,052)
PTN000000068

>  <COMPOUND_NUMBER> (2,052)
WAY-296717

>  <LOCATION_CODE> (2,052)
PTNCS

>  <AMOUNT_CURRENT> (2,052)
33.2

$$$$
WAY-296766
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 16  8  1  0  0  0  0
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  5  4  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,053)
2055

>  <Formula> (2,053)
C14H20N2O4

>  <MolWeight> (2,053)
280.3196

>  <PCAT_CMPD_ID> (2,053)
WAY-296766

>  <CNC_ID> (2,053)
359343210

>  <transfer_container_id> (2,053)
PTN000000068

>  <COMPOUND_NUMBER> (2,053)
WAY-296766

>  <LOCATION_CODE> (2,053)
PTNCS

>  <AMOUNT_CURRENT> (2,053)
33.1

$$$$
WAY-296812
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,054)
2056

>  <Formula> (2,054)
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>  <MolWeight> (2,054)
473.61148

>  <PCAT_CMPD_ID> (2,054)
WAY-296812

>  <CNC_ID> (2,054)
359343256

>  <transfer_container_id> (2,054)
PTN000000068

>  <COMPOUND_NUMBER> (2,054)
WAY-296812

>  <LOCATION_CODE> (2,054)
PTNCS

>  <AMOUNT_CURRENT> (2,054)
33.1

$$$$
WAY-296827
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,055)
2057

>  <Formula> (2,055)
C12H9ClN2O4

>  <MolWeight> (2,055)
280.66386

>  <PCAT_CMPD_ID> (2,055)
WAY-296827

>  <CNC_ID> (2,055)
359343271

>  <transfer_container_id> (2,055)
PTN000000068

>  <COMPOUND_NUMBER> (2,055)
WAY-296827

>  <LOCATION_CODE> (2,055)
PTNCS

>  <AMOUNT_CURRENT> (2,055)
33.2

$$$$
WAY-296871
csChFnd80/10101909502D

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 21 25  2  0  0  0  0
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M  END
>  <Mol_ID> (2,056)
2058

>  <Formula> (2,056)
C24H25N3O2S

>  <MolWeight> (2,056)
419.5392

>  <PCAT_CMPD_ID> (2,056)
WAY-296871

>  <CNC_ID> (2,056)
359343315

>  <transfer_container_id> (2,056)
PTN000000068

>  <COMPOUND_NUMBER> (2,056)
WAY-296871

>  <LOCATION_CODE> (2,056)
PTNCS

>  <AMOUNT_CURRENT> (2,056)
33.3

$$$$
WAY-296921
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,057)
2059

>  <Formula> (2,057)
C17H17N3O2S2

>  <MolWeight> (2,057)
359.46578

>  <PCAT_CMPD_ID> (2,057)
WAY-296921

>  <CNC_ID> (2,057)
359343365

>  <transfer_container_id> (2,057)
PTN000000068

>  <COMPOUND_NUMBER> (2,057)
WAY-296921

>  <LOCATION_CODE> (2,057)
PTNCS

>  <AMOUNT_CURRENT> (2,057)
33.2

$$$$
WAY-296946
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,058)
2060

>  <Formula> (2,058)
C13H18N2O

>  <MolWeight> (2,058)
218.29482

>  <PCAT_CMPD_ID> (2,058)
WAY-296946

>  <CNC_ID> (2,058)
359343390

>  <transfer_container_id> (2,058)
PTN000000068

>  <COMPOUND_NUMBER> (2,058)
WAY-296946

>  <LOCATION_CODE> (2,058)
PTNCS

>  <AMOUNT_CURRENT> (2,058)
33.3

$$$$
WAY-296963
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,059)
2061

>  <Formula> (2,059)
C19H16N4O4

>  <MolWeight> (2,059)
364.35474

>  <PCAT_CMPD_ID> (2,059)
WAY-296963

>  <CNC_ID> (2,059)
359343407

>  <transfer_container_id> (2,059)
PTN000000068

>  <COMPOUND_NUMBER> (2,059)
WAY-296963

>  <LOCATION_CODE> (2,059)
PTNCS

>  <AMOUNT_CURRENT> (2,059)
33.4

$$$$
WAY-296970
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  9  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,060)
2062

>  <Formula> (2,060)
C17H18N2O3

>  <MolWeight> (2,060)
298.33642

>  <PCAT_CMPD_ID> (2,060)
WAY-296970

>  <CNC_ID> (2,060)
359343414

>  <transfer_container_id> (2,060)
PTN000000068

>  <COMPOUND_NUMBER> (2,060)
WAY-296970

>  <LOCATION_CODE> (2,060)
PTNCS

>  <AMOUNT_CURRENT> (2,060)
33.4

$$$$
WAY-297287
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 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
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
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 22 23  2  0  0  0  0
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  9 13  1  0  0  0  0
 15 18  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,061)
2063

>  <Formula> (2,061)
C21H26N2O3S

>  <MolWeight> (2,061)
386.50774

>  <PCAT_CMPD_ID> (2,061)
WAY-297287

>  <CNC_ID> (2,061)
359343731

>  <transfer_container_id> (2,061)
PTN000000068

>  <COMPOUND_NUMBER> (2,061)
WAY-297287

>  <LOCATION_CODE> (2,061)
PTNCS

>  <AMOUNT_CURRENT> (2,061)
33.3

$$$$
WAY-297298
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 17 20  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,062)
2064

>  <Formula> (2,062)
C13H11FN4OS

>  <MolWeight> (2,062)
290.3160432

>  <PCAT_CMPD_ID> (2,062)
WAY-297298

>  <CNC_ID> (2,062)
359343742

>  <transfer_container_id> (2,062)
PTN000000068

>  <COMPOUND_NUMBER> (2,062)
WAY-297298

>  <LOCATION_CODE> (2,062)
PTNCS

>  <AMOUNT_CURRENT> (2,062)
33.2

$$$$
WAY-297322
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,063)
2065

>  <Formula> (2,063)
C22H20O3S

>  <MolWeight> (2,063)
364.4574

>  <PCAT_CMPD_ID> (2,063)
WAY-297322

>  <CNC_ID> (2,063)
359343766

>  <transfer_container_id> (2,063)
PTN000000068

>  <COMPOUND_NUMBER> (2,063)
WAY-297322

>  <LOCATION_CODE> (2,063)
PTNCS

>  <AMOUNT_CURRENT> (2,063)
33.2

$$$$
WAY-297329
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,064)
2066

>  <Formula> (2,064)
C20H15ClN2O3S

>  <MolWeight> (2,064)
398.8627

>  <PCAT_CMPD_ID> (2,064)
WAY-297329

>  <CNC_ID> (2,064)
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>  <transfer_container_id> (2,064)
PTN000000068

>  <COMPOUND_NUMBER> (2,064)
WAY-297329

>  <LOCATION_CODE> (2,064)
PTNCS

>  <AMOUNT_CURRENT> (2,064)
33.1

$$$$
WAY-297351
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,065)
2067

>  <Formula> (2,065)
C22H20ClF3N4O

>  <MolWeight> (2,065)
448.8686096

>  <PCAT_CMPD_ID> (2,065)
WAY-297351

>  <CNC_ID> (2,065)
359343795

>  <transfer_container_id> (2,065)
PTN000000068

>  <COMPOUND_NUMBER> (2,065)
WAY-297351

>  <LOCATION_CODE> (2,065)
PTNCS

>  <AMOUNT_CURRENT> (2,065)
33.4

$$$$
WAY-297367
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,066)
2068

>  <Formula> (2,066)
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>  <MolWeight> (2,066)
221.1878232

>  <PCAT_CMPD_ID> (2,066)
WAY-297367

>  <CNC_ID> (2,066)
359343811

>  <transfer_container_id> (2,066)
PTN000000068

>  <COMPOUND_NUMBER> (2,066)
WAY-297367

>  <LOCATION_CODE> (2,066)
PTNCS

>  <AMOUNT_CURRENT> (2,066)
33.1

$$$$
WAY-297393
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,067)
2069

>  <Formula> (2,067)
C16H11BrN2O

>  <MolWeight> (2,067)
327.17534

>  <PCAT_CMPD_ID> (2,067)
WAY-297393

>  <CNC_ID> (2,067)
359343837

>  <transfer_container_id> (2,067)
PTN000000068

>  <COMPOUND_NUMBER> (2,067)
WAY-297393

>  <LOCATION_CODE> (2,067)
PTNCS

>  <AMOUNT_CURRENT> (2,067)
33

$$$$
WAY-297397
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,068)
2070

>  <Formula> (2,068)
C19H20BrF3N4O

>  <MolWeight> (2,068)
457.2875096

>  <PCAT_CMPD_ID> (2,068)
WAY-297397

>  <CNC_ID> (2,068)
359343841

>  <transfer_container_id> (2,068)
PTN000000068

>  <COMPOUND_NUMBER> (2,068)
WAY-297397

>  <LOCATION_CODE> (2,068)
PTNCS

>  <AMOUNT_CURRENT> (2,068)
33.2

$$$$
WAY-297425
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,069)
2071

>  <Formula> (2,069)
C21H22N2OS

>  <MolWeight> (2,069)
350.47718

>  <PCAT_CMPD_ID> (2,069)
WAY-297425

>  <CNC_ID> (2,069)
359343869

>  <transfer_container_id> (2,069)
PTN000000068

>  <COMPOUND_NUMBER> (2,069)
WAY-297425

>  <LOCATION_CODE> (2,069)
PTNCS

>  <AMOUNT_CURRENT> (2,069)
33.5

$$$$
WAY-297433
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,070)
2072

>  <Formula> (2,070)
C22H19BrN2O3

>  <MolWeight> (2,070)
439.30186

>  <PCAT_CMPD_ID> (2,070)
WAY-297433

>  <CNC_ID> (2,070)
359343877

>  <transfer_container_id> (2,070)
PTN000000068

>  <COMPOUND_NUMBER> (2,070)
WAY-297433

>  <LOCATION_CODE> (2,070)
PTNCS

>  <AMOUNT_CURRENT> (2,070)
33.1

$$$$
WAY-297450
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,071)
2073

>  <Formula> (2,071)
C8H8N2OS2

>  <MolWeight> (2,071)
212.29192

>  <PCAT_CMPD_ID> (2,071)
WAY-297450

>  <CNC_ID> (2,071)
359343894

>  <transfer_container_id> (2,071)
PTN000000068

>  <COMPOUND_NUMBER> (2,071)
WAY-297450

>  <LOCATION_CODE> (2,071)
PTNCS

>  <AMOUNT_CURRENT> (2,071)
33.2

$$$$
WAY-297793
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,072)
2074

>  <Formula> (2,072)
C9H7N3S2

>  <MolWeight> (2,072)
221.30198

>  <PCAT_CMPD_ID> (2,072)
WAY-297793

>  <CNC_ID> (2,072)
359344237

>  <transfer_container_id> (2,072)
PTN000000068

>  <COMPOUND_NUMBER> (2,072)
WAY-297793

>  <LOCATION_CODE> (2,072)
PTNCS

>  <AMOUNT_CURRENT> (2,072)
33.1

$$$$
WAY-297543
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,073)
2075

>  <Formula> (2,073)
C15H11N3O4S

>  <MolWeight> (2,073)
329.33054

>  <PCAT_CMPD_ID> (2,073)
WAY-297543

>  <CNC_ID> (2,073)
359343987

>  <transfer_container_id> (2,073)
PTN000000068

>  <COMPOUND_NUMBER> (2,073)
WAY-297543

>  <LOCATION_CODE> (2,073)
PTNCS

>  <AMOUNT_CURRENT> (2,073)
33

$$$$
WAY-297702
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,074)
2076

>  <Formula> (2,074)
C24H19N3O2S3

>  <MolWeight> (2,074)
477.62156

>  <PCAT_CMPD_ID> (2,074)
WAY-297702

>  <CNC_ID> (2,074)
359344146

>  <transfer_container_id> (2,074)
PTN000000068

>  <COMPOUND_NUMBER> (2,074)
WAY-297702

>  <LOCATION_CODE> (2,074)
PTNCS

>  <AMOUNT_CURRENT> (2,074)
33.2

$$$$
WAY-297753
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,075)
2077

>  <Formula> (2,075)
C13H18N2O3S

>  <MolWeight> (2,075)
282.35862

>  <PCAT_CMPD_ID> (2,075)
WAY-297753

>  <CNC_ID> (2,075)
359344197

>  <transfer_container_id> (2,075)
PTN000000068

>  <COMPOUND_NUMBER> (2,075)
WAY-297753

>  <LOCATION_CODE> (2,075)
PTNCS

>  <AMOUNT_CURRENT> (2,075)
33.2

$$$$
WAY-297780
csChFnd80/10101909502D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,076)
2078

>  <Formula> (2,076)
C23H19NO

>  <MolWeight> (2,076)
325.40306

>  <PCAT_CMPD_ID> (2,076)
WAY-297780

>  <CNC_ID> (2,076)
359344224

>  <transfer_container_id> (2,076)
PTN000000068

>  <COMPOUND_NUMBER> (2,076)
WAY-297780

>  <LOCATION_CODE> (2,076)
PTNCS

>  <AMOUNT_CURRENT> (2,076)
33.2

$$$$
CL-282742
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,077)
2079

>  <Formula> (2,077)
C19H10O5

>  <MolWeight> (2,077)
318.2797

>  <PCAT_CMPD_ID> (2,077)
CL-282742

>  <CNC_ID> (2,077)
359353715

>  <transfer_container_id> (2,077)
PTN000000069

>  <COMPOUND_NUMBER> (2,077)
CL-282742

>  <LOCATION_CODE> (2,077)
PTNCS

>  <AMOUNT_CURRENT> (2,077)
33.1

$$$$
CL-32064
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,078)
2080

>  <Formula> (2,078)
C12H13ClN2O2

>  <MolWeight> (2,078)
252.69682

>  <PCAT_CMPD_ID> (2,078)
CL-32064

>  <CNC_ID> (2,078)
359353721

>  <transfer_container_id> (2,078)
PTN000000069

>  <COMPOUND_NUMBER> (2,078)
CL-32064

>  <LOCATION_CODE> (2,078)
PTNCS

>  <AMOUNT_CURRENT> (2,078)
33.3

$$$$
CL-420300
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,079)
2081

>  <Formula> (2,079)
C11H8N2O2

>  <MolWeight> (2,079)
200.19342

>  <PCAT_CMPD_ID> (2,079)
CL-420300

>  <CNC_ID> (2,079)
359353796

>  <transfer_container_id> (2,079)
PTN000000069

>  <COMPOUND_NUMBER> (2,079)
CL-420300

>  <LOCATION_CODE> (2,079)
PTNCS

>  <AMOUNT_CURRENT> (2,079)
33.4

$$$$
WAY-112807
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11 17  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20  3  1  0  0  0  0
 21  1  1  0  0  0  0
 22  2  1  0  0  0  0
 23  7  1  0  0  0  0
  4  7  1  0  0  0  0
 16 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,080)
2082

>  <Formula> (2,080)
C11H14BrNO4

>  <MolWeight> (2,080)
304.13716

>  <PCAT_CMPD_ID> (2,080)
WAY-112807

>  <CNC_ID> (2,080)
359353878

>  <transfer_container_id> (2,080)
PTN000000069

>  <COMPOUND_NUMBER> (2,080)
WAY-112807

>  <LOCATION_CODE> (2,080)
PTNCS

>  <AMOUNT_CURRENT> (2,080)
33.2

$$$$
WAY-235842
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  9  2  2  0  0  0  0
 10  2  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  2  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16 26  1  0  0  0  0
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 20  7  1  0  0  0  0
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  6 12  1  0  0  0  0
 17 18  2  0  0  0  0
 29 24  1  0  0  0  0
 25 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,081)
2083

>  <Formula> (2,081)
C21H24N2O5S

>  <MolWeight> (2,081)
416.49066

>  <PCAT_CMPD_ID> (2,081)
WAY-235842

>  <CNC_ID> (2,081)
359354144

>  <transfer_container_id> (2,081)
PTN000000069

>  <COMPOUND_NUMBER> (2,081)
WAY-235842

>  <LOCATION_CODE> (2,081)
PTNCS

>  <AMOUNT_CURRENT> (2,081)
33.3

$$$$
WAY-298491
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6  8  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,082)
2084

>  <Formula> (2,082)
C19H23NO3

>  <MolWeight> (2,082)
313.39082

>  <PCAT_CMPD_ID> (2,082)
WAY-298491

>  <CNC_ID> (2,082)
359357485

>  <transfer_container_id> (2,082)
PTN000000069

>  <COMPOUND_NUMBER> (2,082)
WAY-298491

>  <LOCATION_CODE> (2,082)
PTNCS

>  <AMOUNT_CURRENT> (2,082)
33

$$$$
WAY-298504
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,083)
2085

>  <Formula> (2,083)
C23H28N2O3

>  <MolWeight> (2,083)
380.48002

>  <PCAT_CMPD_ID> (2,083)
WAY-298504

>  <CNC_ID> (2,083)
359357498

>  <transfer_container_id> (2,083)
PTN000000069

>  <COMPOUND_NUMBER> (2,083)
WAY-298504

>  <LOCATION_CODE> (2,083)
PTNCS

>  <AMOUNT_CURRENT> (2,083)
30

$$$$
WAY-298506
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  6  8  1  0  0  0  0
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M  END
>  <Mol_ID> (2,084)
2086

>  <Formula> (2,084)
C16H12ClNO3

>  <MolWeight> (2,084)
301.72438

>  <PCAT_CMPD_ID> (2,084)
WAY-298506

>  <CNC_ID> (2,084)
359357500

>  <transfer_container_id> (2,084)
PTN000000069

>  <COMPOUND_NUMBER> (2,084)
WAY-298506

>  <LOCATION_CODE> (2,084)
PTNCS

>  <AMOUNT_CURRENT> (2,084)
33.4

$$$$
WAY-298587-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,085)
2087

>  <Formula> (2,085)
C19H21Br2N3O

>  <MolWeight> (2,085)
467.19754

>  <PCAT_CMPD_ID> (2,085)
WAY-298587-A

>  <CNC_ID> (2,085)
359357581

>  <transfer_container_id> (2,085)
PTN000000069

>  <COMPOUND_NUMBER> (2,085)
WAY-298587-A

>  <LOCATION_CODE> (2,085)
PTNCS

>  <AMOUNT_CURRENT> (2,085)
33.3

$$$$
WAY-299109
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,086)
2088

>  <Formula> (2,086)
C11H10N4O

>  <MolWeight> (2,086)
214.2233

>  <PCAT_CMPD_ID> (2,086)
WAY-299109

>  <CNC_ID> (2,086)
359358103

>  <transfer_container_id> (2,086)
PTN000000069

>  <COMPOUND_NUMBER> (2,086)
WAY-299109

>  <LOCATION_CODE> (2,086)
PTNCS

>  <AMOUNT_CURRENT> (2,086)
33.1

$$$$
WAY-382507
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,087)
2089

>  <Formula> (2,087)
C23H24N4O2S

>  <MolWeight> (2,087)
420.52726

>  <PCAT_CMPD_ID> (2,087)
WAY-382507

>  <CNC_ID> (2,087)
359360671

>  <transfer_container_id> (2,087)
PTN000000069

>  <COMPOUND_NUMBER> (2,087)
WAY-382507

>  <LOCATION_CODE> (2,087)
PTNCS

>  <AMOUNT_CURRENT> (2,087)
32.1

$$$$
WAY-382521
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,088)
2090

>  <Formula> (2,088)
C11H11NOS

>  <MolWeight> (2,088)
205.27614

>  <PCAT_CMPD_ID> (2,088)
WAY-382521

>  <CNC_ID> (2,088)
359360685

>  <transfer_container_id> (2,088)
PTN000000069

>  <COMPOUND_NUMBER> (2,088)
WAY-382521

>  <LOCATION_CODE> (2,088)
PTNCS

>  <AMOUNT_CURRENT> (2,088)
32.5

$$$$
WAY-382701
csChFnd80/10101909502D

 34 37  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
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 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (2,089)
2091

>  <Formula> (2,089)
C25H24N4O4S

>  <MolWeight> (2,089)
476.54746

>  <PCAT_CMPD_ID> (2,089)
WAY-382701

>  <CNC_ID> (2,089)
359360860

>  <transfer_container_id> (2,089)
PTN000000069

>  <COMPOUND_NUMBER> (2,089)
WAY-382701

>  <LOCATION_CODE> (2,089)
PTNCS

>  <AMOUNT_CURRENT> (2,089)
32.4

$$$$
WAY-382718
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 13 18  2  0  0  0  0
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 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,090)
2092

>  <Formula> (2,090)
C18H19FN2O

>  <MolWeight> (2,090)
298.3546632

>  <PCAT_CMPD_ID> (2,090)
WAY-382718

>  <CNC_ID> (2,090)
359360877

>  <transfer_container_id> (2,090)
PTN000000069

>  <COMPOUND_NUMBER> (2,090)
WAY-382718

>  <LOCATION_CODE> (2,090)
PTNCS

>  <AMOUNT_CURRENT> (2,090)
32.6

$$$$
WAY-388295
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  9 13  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13 25  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16  2  2  0  0  0  0
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 18 11  2  0  0  0  0
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 20  6  1  0  0  0  0
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 22  7  2  0  0  0  0
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 29 14  1  0  0  0  0
 30 21  1  0  0  0  0
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 14 21  2  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,091)
2093

>  <Formula> (2,091)
C23H25BrN2O4

>  <MolWeight> (2,091)
473.3596

>  <PCAT_CMPD_ID> (2,091)
WAY-388295

>  <CNC_ID> (2,091)
359361111

>  <transfer_container_id> (2,091)
PTN000000069

>  <COMPOUND_NUMBER> (2,091)
WAY-388295

>  <LOCATION_CODE> (2,091)
PTNCS

>  <AMOUNT_CURRENT> (2,091)
33

$$$$
WAY-116040
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13  3  2  0  0  0  0
 14 10  2  0  0  0  0
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 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
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  7  9  1  0  0  0  0
  4  6  1  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,092)
2094

>  <Formula> (2,092)
C14H12N2O4S

>  <MolWeight> (2,092)
304.32108

>  <PCAT_CMPD_ID> (2,092)
WAY-116040

>  <CNC_ID> (2,092)
359367610

>  <transfer_container_id> (2,092)
PTN000000070

>  <COMPOUND_NUMBER> (2,092)
WAY-116040

>  <LOCATION_CODE> (2,092)
PTNCS

>  <AMOUNT_CURRENT> (2,092)
33.3

$$$$
WAY-300098
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 15  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,093)
2095

>  <Formula> (2,093)
C14H10O3

>  <MolWeight> (2,093)
226.2274

>  <PCAT_CMPD_ID> (2,093)
WAY-300098

>  <CNC_ID> (2,093)
359370768

>  <transfer_container_id> (2,093)
PTN000000070

>  <COMPOUND_NUMBER> (2,093)
WAY-300098

>  <LOCATION_CODE> (2,093)
PTNCS

>  <AMOUNT_CURRENT> (2,093)
33.3

$$$$
WAY-300182
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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  5  4  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,094)
2096

>  <Formula> (2,094)
C14H18N2O5

>  <MolWeight> (2,094)
294.30312

>  <PCAT_CMPD_ID> (2,094)
WAY-300182

>  <CNC_ID> (2,094)
359370840

>  <transfer_container_id> (2,094)
PTN000000070

>  <COMPOUND_NUMBER> (2,094)
WAY-300182

>  <LOCATION_CODE> (2,094)
PTNCS

>  <AMOUNT_CURRENT> (2,094)
33.5

$$$$
WAY-299836
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (2,095)
2097

>  <Formula> (2,095)
C20H17N3O3S

>  <MolWeight> (2,095)
379.43228

>  <PCAT_CMPD_ID> (2,095)
WAY-299836

>  <CNC_ID> (2,095)
359370513

>  <transfer_container_id> (2,095)
PTN000000070

>  <COMPOUND_NUMBER> (2,095)
WAY-299836

>  <LOCATION_CODE> (2,095)
PTNCS

>  <AMOUNT_CURRENT> (2,095)
33.3

$$$$
WAY-299866
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,096)
2098

>  <Formula> (2,096)
C23H24N2O2S

>  <MolWeight> (2,096)
392.51386

>  <PCAT_CMPD_ID> (2,096)
WAY-299866

>  <CNC_ID> (2,096)
359370544

>  <transfer_container_id> (2,096)
PTN000000070

>  <COMPOUND_NUMBER> (2,096)
WAY-299866

>  <LOCATION_CODE> (2,096)
PTNCS

>  <AMOUNT_CURRENT> (2,096)
33.2

$$$$
WAY-299898
csChFnd80/10101909502D

 12 12  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,097)
2099

>  <Formula> (2,097)
C9H16N2O

>  <MolWeight> (2,097)
168.23614

>  <PCAT_CMPD_ID> (2,097)
WAY-299898

>  <CNC_ID> (2,097)
359370576

>  <transfer_container_id> (2,097)
PTN000000070

>  <COMPOUND_NUMBER> (2,097)
WAY-299898

>  <LOCATION_CODE> (2,097)
PTNCS

>  <AMOUNT_CURRENT> (2,097)
33.4

$$$$
WAY-300271
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,098)
2100

>  <Formula> (2,098)
C18H18F3N5O2S

>  <MolWeight> (2,098)
425.4280296

>  <PCAT_CMPD_ID> (2,098)
WAY-300271

>  <CNC_ID> (2,098)
359370923

>  <transfer_container_id> (2,098)
PTN000000070

>  <COMPOUND_NUMBER> (2,098)
WAY-300271

>  <LOCATION_CODE> (2,098)
PTNCS

>  <AMOUNT_CURRENT> (2,098)
33.1

$$$$
WAY-301162-A
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,099)
2101

>  <Formula> (2,099)
C14H12N2OS2

>  <MolWeight> (2,099)
288.38788

>  <PCAT_CMPD_ID> (2,099)
WAY-301162-A

>  <CNC_ID> (2,099)
359371501

>  <transfer_container_id> (2,099)
PTN000000070

>  <COMPOUND_NUMBER> (2,099)
WAY-301162-A

>  <LOCATION_CODE> (2,099)
PTNCS

>  <AMOUNT_CURRENT> (2,099)
33.2

$$$$
WAY-301229
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 12 13  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,100)
2102

>  <Formula> (2,100)
C17H20ClNO

>  <MolWeight> (2,100)
289.7998

>  <PCAT_CMPD_ID> (2,100)
WAY-301229

>  <CNC_ID> (2,100)
359371568

>  <transfer_container_id> (2,100)
PTN000000070

>  <COMPOUND_NUMBER> (2,100)
WAY-301229

>  <LOCATION_CODE> (2,100)
PTNCS

>  <AMOUNT_CURRENT> (2,100)
33.4

$$$$
WAY-301512
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,101)
2103

>  <Formula> (2,101)
C14H13NO2

>  <MolWeight> (2,101)
227.25852

>  <PCAT_CMPD_ID> (2,101)
WAY-301512

>  <CNC_ID> (2,101)
359371850

>  <transfer_container_id> (2,101)
PTN000000070

>  <COMPOUND_NUMBER> (2,101)
WAY-301512

>  <LOCATION_CODE> (2,101)
PTNCS

>  <AMOUNT_CURRENT> (2,101)
33.1

$$$$
WAY-301639
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,102)
2104

>  <Formula> (2,102)
C16H17N5O4

>  <MolWeight> (2,102)
343.33728

>  <PCAT_CMPD_ID> (2,102)
WAY-301639

>  <CNC_ID> (2,102)
359371977

>  <transfer_container_id> (2,102)
PTN000000070

>  <COMPOUND_NUMBER> (2,102)
WAY-301639

>  <LOCATION_CODE> (2,102)
PTNCS

>  <AMOUNT_CURRENT> (2,102)
33.3

$$$$
WAY-382498
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,103)
2105

>  <Formula> (2,103)
C18H23NO

>  <MolWeight> (2,103)
269.38132

>  <PCAT_CMPD_ID> (2,103)
WAY-382498

>  <CNC_ID> (2,103)
359372092

>  <transfer_container_id> (2,103)
PTN000000070

>  <COMPOUND_NUMBER> (2,103)
WAY-382498

>  <LOCATION_CODE> (2,103)
PTNCS

>  <AMOUNT_CURRENT> (2,103)
32

$$$$
WAY-386503
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
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 13  2  1  0  0  0  0
 14  4  1  0  0  0  0
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 16 12  1  0  0  0  0
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 19  8  1  0  0  0  0
 20  8  1  0  0  0  0
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  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,104)
2106

>  <Formula> (2,104)
C20H26N2O2

>  <MolWeight> (2,104)
326.43264

>  <PCAT_CMPD_ID> (2,104)
WAY-386503

>  <CNC_ID> (2,104)
359372303

>  <transfer_container_id> (2,104)
PTN000000070

>  <COMPOUND_NUMBER> (2,104)
WAY-386503

>  <LOCATION_CODE> (2,104)
PTNCS

>  <AMOUNT_CURRENT> (2,104)
32.4

$$$$
WAY-388282
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,105)
2107

>  <Formula> (2,105)
C16H17F3N4O3

>  <MolWeight> (2,105)
370.3263896

>  <PCAT_CMPD_ID> (2,105)
WAY-388282

>  <CNC_ID> (2,105)
359372426

>  <transfer_container_id> (2,105)
PTN000000070

>  <COMPOUND_NUMBER> (2,105)
WAY-388282

>  <LOCATION_CODE> (2,105)
PTNCS

>  <AMOUNT_CURRENT> (2,105)
32.3

$$$$
WAY-388966
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  6  8  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,106)
2108

>  <Formula> (2,106)
C13H20N2O2

>  <MolWeight> (2,106)
236.3101

>  <PCAT_CMPD_ID> (2,106)
WAY-388966

>  <CNC_ID> (2,106)
359373103

>  <transfer_container_id> (2,106)
PTN000000070

>  <COMPOUND_NUMBER> (2,106)
WAY-388966

>  <LOCATION_CODE> (2,106)
PTNCS

>  <AMOUNT_CURRENT> (2,106)
32.6

$$$$
WAY-389454
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  1  2  0  0  0  0
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 13  4  1  0  0  0  0
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  5 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,107)
2109

>  <Formula> (2,107)
C20H22F3N3O

>  <MolWeight> (2,107)
377.4033896

>  <PCAT_CMPD_ID> (2,107)
WAY-389454

>  <CNC_ID> (2,107)
359373579

>  <transfer_container_id> (2,107)
PTN000000070

>  <COMPOUND_NUMBER> (2,107)
WAY-389454

>  <LOCATION_CODE> (2,107)
PTNCS

>  <AMOUNT_CURRENT> (2,107)
32.3

$$$$
WAY-389709
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
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 17  6  2  0  0  0  0
 18  5  1  0  0  0  0
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 16 18  2  0  0  0  0
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M  END
>  <Mol_ID> (2,108)
2110

>  <Formula> (2,108)
C15H19ClFNO

>  <MolWeight> (2,108)
283.7688632

>  <PCAT_CMPD_ID> (2,108)
WAY-389709

>  <CNC_ID> (2,108)
359373827

>  <transfer_container_id> (2,108)
PTN000000070

>  <COMPOUND_NUMBER> (2,108)
WAY-389709

>  <LOCATION_CODE> (2,108)
PTNCS

>  <AMOUNT_CURRENT> (2,108)
32.8

$$$$
WAY-389729
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,109)
2111

>  <Formula> (2,109)
C19H16ClFN2OS

>  <MolWeight> (2,109)
374.8595432

>  <PCAT_CMPD_ID> (2,109)
WAY-389729

>  <CNC_ID> (2,109)
359373847

>  <transfer_container_id> (2,109)
PTN000000070

>  <COMPOUND_NUMBER> (2,109)
WAY-389729

>  <LOCATION_CODE> (2,109)
PTNCS

>  <AMOUNT_CURRENT> (2,109)
32.8

$$$$
WAY-389743
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  8  7  1  0  0  0  0
 17 19  2  0  0  0  0
 18 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,110)
2112

>  <Formula> (2,110)
C18H19N3O2S

>  <MolWeight> (2,110)
341.42736

>  <PCAT_CMPD_ID> (2,110)
WAY-389743

>  <CNC_ID> (2,110)
359373859

>  <transfer_container_id> (2,110)
PTN000000070

>  <COMPOUND_NUMBER> (2,110)
WAY-389743

>  <LOCATION_CODE> (2,110)
PTNCS

>  <AMOUNT_CURRENT> (2,110)
32.7

$$$$
WAY-389760
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 11  5  2  0  0  0  0
 12  5  1  0  0  0  0
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 14  4  1  0  0  0  0
 15  4  1  0  0  0  0
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 18  6  1  0  0  0  0
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 13 17  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,111)
2113

>  <Formula> (2,111)
C16H20F2N2O3

>  <MolWeight> (2,111)
326.3384064

>  <PCAT_CMPD_ID> (2,111)
WAY-389760

>  <CNC_ID> (2,111)
359373876

>  <transfer_container_id> (2,111)
PTN000000070

>  <COMPOUND_NUMBER> (2,111)
WAY-389760

>  <LOCATION_CODE> (2,111)
PTNCS

>  <AMOUNT_CURRENT> (2,111)
32.4

$$$$
WAY-118595
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11  5  2  0  0  0  0
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 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  6  2  0  0  0  0
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 20 18  1  0  0  0  0
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  4  5  1  0  0  0  0
  9 16  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,112)
2114

>  <Formula> (2,112)
C14H15N3O4

>  <MolWeight> (2,112)
289.2866

>  <PCAT_CMPD_ID> (2,112)
WAY-118595

>  <CNC_ID> (2,112)
359380698

>  <transfer_container_id> (2,112)
PTN000000071

>  <COMPOUND_NUMBER> (2,112)
WAY-118595

>  <LOCATION_CODE> (2,112)
PTNCS

>  <AMOUNT_CURRENT> (2,112)
33.4

$$$$
WAY-223542
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,113)
2115

>  <Formula> (2,113)
C13H17BrN2O

>  <MolWeight> (2,113)
297.19088

>  <PCAT_CMPD_ID> (2,113)
WAY-223542

>  <CNC_ID> (2,113)
359380764

>  <transfer_container_id> (2,113)
PTN000000071

>  <COMPOUND_NUMBER> (2,113)
WAY-223542

>  <LOCATION_CODE> (2,113)
PTNCS

>  <AMOUNT_CURRENT> (2,113)
33.2

$$$$
WAY-301710
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,114)
2116

>  <Formula> (2,114)
C14H18ClNO2

>  <MolWeight> (2,114)
267.75122

>  <PCAT_CMPD_ID> (2,114)
WAY-301710

>  <CNC_ID> (2,114)
359382696

>  <transfer_container_id> (2,114)
PTN000000071

>  <COMPOUND_NUMBER> (2,114)
WAY-301710

>  <LOCATION_CODE> (2,114)
PTNCS

>  <AMOUNT_CURRENT> (2,114)
33.1

$$$$
WAY-301760-A
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,115)
2117

>  <Formula> (2,115)
C21H34N2O3

>  <MolWeight> (2,115)
362.50626

>  <PCAT_CMPD_ID> (2,115)
WAY-301760-A

>  <CNC_ID> (2,115)
359382746

>  <transfer_container_id> (2,115)
PTN000000071

>  <COMPOUND_NUMBER> (2,115)
WAY-301760-A

>  <LOCATION_CODE> (2,115)
PTNCS

>  <AMOUNT_CURRENT> (2,115)
33.5

$$$$
WAY-301799
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,116)
2118

>  <Formula> (2,116)
C21H16Cl2N2O2

>  <MolWeight> (2,116)
399.26994

>  <PCAT_CMPD_ID> (2,116)
WAY-301799

>  <CNC_ID> (2,116)
359382785

>  <transfer_container_id> (2,116)
PTN000000071

>  <COMPOUND_NUMBER> (2,116)
WAY-301799

>  <LOCATION_CODE> (2,116)
PTNCS

>  <AMOUNT_CURRENT> (2,116)
33.3

$$$$
WAY-302663-A
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,117)
2119

>  <Formula> (2,117)
C12H24N2

>  <MolWeight> (2,117)
196.33236

>  <PCAT_CMPD_ID> (2,117)
WAY-302663-A

>  <CNC_ID> (2,117)
359383649

>  <transfer_container_id> (2,117)
PTN000000071

>  <COMPOUND_NUMBER> (2,117)
WAY-302663-A

>  <LOCATION_CODE> (2,117)
PTNCS

>  <AMOUNT_CURRENT> (2,117)
33.3

$$$$
WAY-302861
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,118)
2120

>  <Formula> (2,118)
C15H18N2O3

>  <MolWeight> (2,118)
274.31502

>  <PCAT_CMPD_ID> (2,118)
WAY-302861

>  <CNC_ID> (2,118)
359383847

>  <transfer_container_id> (2,118)
PTN000000071

>  <COMPOUND_NUMBER> (2,118)
WAY-302861

>  <LOCATION_CODE> (2,118)
PTNCS

>  <AMOUNT_CURRENT> (2,118)
33.2

$$$$
WAY-303336
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,119)
2121

>  <Formula> (2,119)
C15H11N3O3

>  <MolWeight> (2,119)
281.26614

>  <PCAT_CMPD_ID> (2,119)
WAY-303336

>  <CNC_ID> (2,119)
359384320

>  <transfer_container_id> (2,119)
PTN000000071

>  <COMPOUND_NUMBER> (2,119)
WAY-303336

>  <LOCATION_CODE> (2,119)
PTNCS

>  <AMOUNT_CURRENT> (2,119)
33.3

$$$$
WAY-382805
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  8  2  0  0  0  0
 12  5  1  0  0  0  0
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 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,120)
2122

>  <Formula> (2,120)
C22H25N3O3

>  <MolWeight> (2,120)
379.4522

>  <PCAT_CMPD_ID> (2,120)
WAY-382805

>  <CNC_ID> (2,120)
359385088

>  <transfer_container_id> (2,120)
PTN000000071

>  <COMPOUND_NUMBER> (2,120)
WAY-382805

>  <LOCATION_CODE> (2,120)
PTNCS

>  <AMOUNT_CURRENT> (2,120)
32.5

$$$$
WAY-382877
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6 11  1  0  0  0  0
  7  6  2  0  0  0  0
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  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
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 12  1  1  0  0  0  0
 13  3  1  0  0  0  0
 14  2  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
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 20 15  2  0  0  0  0
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 24 23  1  0  0  0  0
  4  5  1  0  0  0  0
 22 24  2  0  0  0  0
 10  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,121)
2123

>  <Formula> (2,121)
C17H14N4S3

>  <MolWeight> (2,121)
370.51486

>  <PCAT_CMPD_ID> (2,121)
WAY-382877

>  <CNC_ID> (2,121)
359385135

>  <transfer_container_id> (2,121)
PTN000000071

>  <COMPOUND_NUMBER> (2,121)
WAY-382877

>  <LOCATION_CODE> (2,121)
PTNCS

>  <AMOUNT_CURRENT> (2,121)
32.8

$$$$
WAY-383298
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
   14.5542   -8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0  0  0  0
  3  7  2  0  0  0  0
  4  2  2  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  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  2  0  0  0  0
 12  5  2  0  0  0  0
 13  8  2  0  0  0  0
 14 12  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17  1  1  0  0  0  0
 18  8  1  0  0  0  0
 19 11  1  0  0  0  0
 20  4  1  0  0  0  0
 21  9  1  0  0  0  0
 11  3  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,122)
2124

>  <Formula> (2,122)
C12H11ClF3N3OS

>  <MolWeight> (2,122)
337.7484496

>  <PCAT_CMPD_ID> (2,122)
WAY-383298

>  <CNC_ID> (2,122)
359385465

>  <transfer_container_id> (2,122)
PTN000000071

>  <COMPOUND_NUMBER> (2,122)
WAY-383298

>  <LOCATION_CODE> (2,122)
PTNCS

>  <AMOUNT_CURRENT> (2,122)
32.3

$$$$
WAY-383321
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    9.2417   -9.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  4  9  1  0  0  0  0
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  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13 11  1  0  0  0  0
 14  2  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  1  0  0  0  0
 23 21  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,123)
2125

>  <Formula> (2,123)
C18H22ClNO3

>  <MolWeight> (2,123)
335.82518

>  <PCAT_CMPD_ID> (2,123)
WAY-383321

>  <CNC_ID> (2,123)
359385487

>  <transfer_container_id> (2,123)
PTN000000071

>  <COMPOUND_NUMBER> (2,123)
WAY-383321

>  <LOCATION_CODE> (2,123)
PTNCS

>  <AMOUNT_CURRENT> (2,123)
32.2

$$$$
WAY-383005
csChFnd80/10101909502D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 13  8  1  0  0  0  0
 14  1  1  0  0  0  0
 15  4  2  0  0  0  0
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 21  6  1  0  0  0  0
 22  9  1  0  0  0  0
 23 17  1  0  0  0  0
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 25 24  2  0  0  0  0
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 27 20  2  0  0  0  0
 28 20  1  0  0  0  0
 29 23  1  0  0  0  0
 30 31  1  0  0  0  0
 31 22  2  0  0  0  0
 32 27  1  0  0  0  0
 33 28  2  0  0  0  0
 34 33  1  0  0  0  0
  2  6  1  0  0  0  0
 21 30  2  0  0  0  0
 34 32  2  0  0  0  0
 12  7  1  0  0  0  0
 26 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,124)
2126

>  <Formula> (2,124)
C27H21NO6

>  <MolWeight> (2,124)
455.45874

>  <PCAT_CMPD_ID> (2,124)
WAY-383005

>  <CNC_ID> (2,124)
359385211

>  <transfer_container_id> (2,124)
PTN000000071

>  <COMPOUND_NUMBER> (2,124)
WAY-383005

>  <LOCATION_CODE> (2,124)
PTNCS

>  <AMOUNT_CURRENT> (2,124)
32.5

$$$$
WAY-383051
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  7  1  0  0  0  0
 14 21  2  0  0  0  0
 15 13  1  0  0  0  0
 16  7  2  0  0  0  0
 17  5  2  0  0  0  0
 18  6  1  0  0  0  0
 19  6  2  0  0  0  0
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 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
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 14 20  1  0  0  0  0
  9 10  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,125)
2127

>  <Formula> (2,125)
C19H17NO6S

>  <MolWeight> (2,125)
387.40638

>  <PCAT_CMPD_ID> (2,125)
WAY-383051

>  <CNC_ID> (2,125)
359385256

>  <transfer_container_id> (2,125)
PTN000000071

>  <COMPOUND_NUMBER> (2,125)
WAY-383051

>  <LOCATION_CODE> (2,125)
PTNCS

>  <AMOUNT_CURRENT> (2,125)
32.5

$$$$
WAY-383167
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,126)
2128

>  <Formula> (2,126)
C16H11NO2S

>  <MolWeight> (2,126)
281.32904

>  <PCAT_CMPD_ID> (2,126)
WAY-383167

>  <CNC_ID> (2,126)
359385356

>  <transfer_container_id> (2,126)
PTN000000071

>  <COMPOUND_NUMBER> (2,126)
WAY-383167

>  <LOCATION_CODE> (2,126)
PTNCS

>  <AMOUNT_CURRENT> (2,126)
32.5

$$$$
WAY-390570
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,127)
2129

>  <Formula> (2,127)
C21H19NO4

>  <MolWeight> (2,127)
349.37986

>  <PCAT_CMPD_ID> (2,127)
WAY-390570

>  <CNC_ID> (2,127)
359385937

>  <transfer_container_id> (2,127)
PTN000000071

>  <COMPOUND_NUMBER> (2,127)
WAY-390570

>  <LOCATION_CODE> (2,127)
PTNCS

>  <AMOUNT_CURRENT> (2,127)
32.6

$$$$
WAY-391276
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,128)
2130

>  <Formula> (2,128)
C19H14F3NO

>  <MolWeight> (2,128)
329.3157696

>  <PCAT_CMPD_ID> (2,128)
WAY-391276

>  <CNC_ID> (2,128)
359386615

>  <transfer_container_id> (2,128)
PTN000000071

>  <COMPOUND_NUMBER> (2,128)
WAY-391276

>  <LOCATION_CODE> (2,128)
PTNCS

>  <AMOUNT_CURRENT> (2,128)
33

$$$$
WAY-391894
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,129)
2131

>  <Formula> (2,129)
C20H19NO4

>  <MolWeight> (2,129)
337.36916

>  <PCAT_CMPD_ID> (2,129)
WAY-391894

>  <CNC_ID> (2,129)
359387197

>  <transfer_container_id> (2,129)
PTN000000071

>  <COMPOUND_NUMBER> (2,129)
WAY-391894

>  <LOCATION_CODE> (2,129)
PTNCS

>  <AMOUNT_CURRENT> (2,129)
33

$$$$
WL-43274
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,130)
2132

>  <Formula> (2,130)
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>  <MolWeight> (2,130)
184.2786

>  <PCAT_CMPD_ID> (2,130)
WL-43274

>  <CNC_ID> (2,130)
359394036

>  <transfer_container_id> (2,130)
PTN000000071

>  <COMPOUND_NUMBER> (2,130)
WL-43274

>  <LOCATION_CODE> (2,130)
PTNCS

>  <AMOUNT_CURRENT> (2,130)
33.2

$$$$
WAY-231383
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,131)
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>  <Formula> (2,131)
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>  <MolWeight> (2,131)
267.34398

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WAY-231383

>  <CNC_ID> (2,131)
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>  <transfer_container_id> (2,131)
PTN000000072

>  <COMPOUND_NUMBER> (2,131)
WAY-231383

>  <LOCATION_CODE> (2,131)
PTNCS

>  <AMOUNT_CURRENT> (2,131)
33.5

$$$$
WAY-251181
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,132)
2134

>  <Formula> (2,132)
C15H17NO4S

>  <MolWeight> (2,132)
307.36478

>  <PCAT_CMPD_ID> (2,132)
WAY-251181

>  <CNC_ID> (2,132)
359394524

>  <transfer_container_id> (2,132)
PTN000000072

>  <COMPOUND_NUMBER> (2,132)
WAY-251181

>  <LOCATION_CODE> (2,132)
PTNCS

>  <AMOUNT_CURRENT> (2,132)
33.5

$$$$
WAY-303844
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,133)
2135

>  <Formula> (2,133)
C15H19N5O

>  <MolWeight> (2,133)
285.34426

>  <PCAT_CMPD_ID> (2,133)
WAY-303844

>  <CNC_ID> (2,133)
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>  <transfer_container_id> (2,133)
PTN000000072

>  <COMPOUND_NUMBER> (2,133)
WAY-303844

>  <LOCATION_CODE> (2,133)
PTNCS

>  <AMOUNT_CURRENT> (2,133)
33.3

$$$$
WAY-303868
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,134)
2136

>  <Formula> (2,134)
C17H17N3OS

>  <MolWeight> (2,134)
311.40138

>  <PCAT_CMPD_ID> (2,134)
WAY-303868

>  <CNC_ID> (2,134)
359395048

>  <transfer_container_id> (2,134)
PTN000000072

>  <COMPOUND_NUMBER> (2,134)
WAY-303868

>  <LOCATION_CODE> (2,134)
PTNCS

>  <AMOUNT_CURRENT> (2,134)
33.5

$$$$
WAY-303882
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,135)
2137

>  <Formula> (2,135)
C20H18N2O5

>  <MolWeight> (2,135)
366.36732

>  <PCAT_CMPD_ID> (2,135)
WAY-303882

>  <CNC_ID> (2,135)
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>  <transfer_container_id> (2,135)
PTN000000072

>  <COMPOUND_NUMBER> (2,135)
WAY-303882

>  <LOCATION_CODE> (2,135)
PTNCS

>  <AMOUNT_CURRENT> (2,135)
33.5

$$$$
WAY-303915
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,136)
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>  <Formula> (2,136)
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>  <MolWeight> (2,136)
350.43412

>  <PCAT_CMPD_ID> (2,136)
WAY-303915

>  <CNC_ID> (2,136)
359395094

>  <transfer_container_id> (2,136)
PTN000000072

>  <COMPOUND_NUMBER> (2,136)
WAY-303915

>  <LOCATION_CODE> (2,136)
PTNCS

>  <AMOUNT_CURRENT> (2,136)
33.1

$$$$
WAY-304014
csChFnd80/10101909502D

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 11 18  2  0  0  0  0
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M  END
>  <Mol_ID> (2,137)
2139

>  <Formula> (2,137)
C20H18N2O2

>  <MolWeight> (2,137)
318.36912

>  <PCAT_CMPD_ID> (2,137)
WAY-304014

>  <CNC_ID> (2,137)
359395192

>  <transfer_container_id> (2,137)
PTN000000072

>  <COMPOUND_NUMBER> (2,137)
WAY-304014

>  <LOCATION_CODE> (2,137)
PTNCS

>  <AMOUNT_CURRENT> (2,137)
33.7

$$$$
WAY-304651
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,138)
2140

>  <Formula> (2,138)
C19H19NO

>  <MolWeight> (2,138)
277.36026

>  <PCAT_CMPD_ID> (2,138)
WAY-304651

>  <CNC_ID> (2,138)
359395831

>  <transfer_container_id> (2,138)
PTN000000072

>  <COMPOUND_NUMBER> (2,138)
WAY-304651

>  <LOCATION_CODE> (2,138)
PTNCS

>  <AMOUNT_CURRENT> (2,138)
33.8

$$$$
WAY-304993
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,139)
2141

>  <Formula> (2,139)
C14H17NO3

>  <MolWeight> (2,139)
247.28968

>  <PCAT_CMPD_ID> (2,139)
WAY-304993

>  <CNC_ID> (2,139)
359396170

>  <transfer_container_id> (2,139)
PTN000000072

>  <COMPOUND_NUMBER> (2,139)
WAY-304993

>  <LOCATION_CODE> (2,139)
PTNCS

>  <AMOUNT_CURRENT> (2,139)
33.6

$$$$
WAY-305109
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,140)
2142

>  <Formula> (2,140)
C15H13BrN4O2

>  <MolWeight> (2,140)
361.19332

>  <PCAT_CMPD_ID> (2,140)
WAY-305109

>  <CNC_ID> (2,140)
359396285

>  <transfer_container_id> (2,140)
PTN000000072

>  <COMPOUND_NUMBER> (2,140)
WAY-305109

>  <LOCATION_CODE> (2,140)
PTNCS

>  <AMOUNT_CURRENT> (2,140)
33.2

$$$$
WAY-305162
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,141)
2143

>  <Formula> (2,141)
C12H21N7

>  <MolWeight> (2,141)
263.34204

>  <PCAT_CMPD_ID> (2,141)
WAY-305162

>  <CNC_ID> (2,141)
359396338

>  <transfer_container_id> (2,141)
PTN000000072

>  <COMPOUND_NUMBER> (2,141)
WAY-305162

>  <LOCATION_CODE> (2,141)
PTNCS

>  <AMOUNT_CURRENT> (2,141)
33

$$$$
WAY-305209
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,142)
2144

>  <Formula> (2,142)
C14H12N4O2

>  <MolWeight> (2,142)
268.27068

>  <PCAT_CMPD_ID> (2,142)
WAY-305209

>  <CNC_ID> (2,142)
359396385

>  <transfer_container_id> (2,142)
PRL000000080

>  <COMPOUND_NUMBER> (2,142)
WAY-305209

>  <LOCATION_CODE> (2,142)
PRLCS

>  <AMOUNT_CURRENT> (2,142)
31.4

$$$$
WAY-305593-A
csChFnd80/10101909502D

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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,143)
2145

>  <Formula> (2,143)
C18H21NO3

>  <MolWeight> (2,143)
299.36424

>  <PCAT_CMPD_ID> (2,143)
WAY-305593-A

>  <CNC_ID> (2,143)
359396769

>  <transfer_container_id> (2,143)
PTN000000072

>  <COMPOUND_NUMBER> (2,143)
WAY-305593-A

>  <LOCATION_CODE> (2,143)
PTNCS

>  <AMOUNT_CURRENT> (2,143)
33.6

$$$$
WAY-384737
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,144)
2146

>  <Formula> (2,144)
C26H19N3O4S

>  <MolWeight> (2,144)
469.51176

>  <PCAT_CMPD_ID> (2,144)
WAY-384737

>  <CNC_ID> (2,144)
359400700

>  <transfer_container_id> (2,144)
PTN000000072

>  <COMPOUND_NUMBER> (2,144)
WAY-384737

>  <LOCATION_CODE> (2,144)
PTNCS

>  <AMOUNT_CURRENT> (2,144)
32.4

$$$$
WAY-385404
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,145)
2147

>  <Formula> (2,145)
C12H10Cl2N2O3

>  <MolWeight> (2,145)
301.1254

>  <PCAT_CMPD_ID> (2,145)
WAY-385404

>  <CNC_ID> (2,145)
359401283

>  <transfer_container_id> (2,145)
PTN000000072

>  <COMPOUND_NUMBER> (2,145)
WAY-385404

>  <LOCATION_CODE> (2,145)
PTNCS

>  <AMOUNT_CURRENT> (2,145)
32.5

$$$$
CL-425931
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,146)
2148

>  <Formula> (2,146)
C12H12N4S

>  <MolWeight> (2,146)
244.31548

>  <PCAT_CMPD_ID> (2,146)
CL-425931

>  <CNC_ID> (2,146)
359407730

>  <transfer_container_id> (2,146)
PTN000000073

>  <COMPOUND_NUMBER> (2,146)
CL-425931

>  <LOCATION_CODE> (2,146)
PTNCS

>  <AMOUNT_CURRENT> (2,146)
33.2

$$$$
WAY-225519
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,147)
2149

>  <Formula> (2,147)
C17H15NO4S

>  <MolWeight> (2,147)
329.3703

>  <PCAT_CMPD_ID> (2,147)
WAY-225519

>  <CNC_ID> (2,147)
359407976

>  <transfer_container_id> (2,147)
PTN000000073

>  <COMPOUND_NUMBER> (2,147)
WAY-225519

>  <LOCATION_CODE> (2,147)
PTNCS

>  <AMOUNT_CURRENT> (2,147)
33.6

$$$$
WAY-231348
csChFnd80/10101909502D

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 16  9  1  0  0  0  0
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  4  6  1  0  0  0  0
 21 23  2  0  0  0  0
 11 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,148)
2150

>  <Formula> (2,148)
C19H20N2O2

>  <MolWeight> (2,148)
308.3743

>  <PCAT_CMPD_ID> (2,148)
WAY-231348

>  <CNC_ID> (2,148)
359408025

>  <transfer_container_id> (2,148)
PTN000000073

>  <COMPOUND_NUMBER> (2,148)
WAY-231348

>  <LOCATION_CODE> (2,148)
PTNCS

>  <AMOUNT_CURRENT> (2,148)
33.6

$$$$
WAY-234138
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,149)
2151

>  <Formula> (2,149)
C17H9BrN4O4

>  <MolWeight> (2,149)
413.18176

>  <PCAT_CMPD_ID> (2,149)
WAY-234138

>  <CNC_ID> (2,149)
359408046

>  <transfer_container_id> (2,149)
PTN000000073

>  <COMPOUND_NUMBER> (2,149)
WAY-234138

>  <LOCATION_CODE> (2,149)
PTNCS

>  <AMOUNT_CURRENT> (2,149)
33.7

$$$$
WAY-306737
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,150)
2152

>  <Formula> (2,150)
C14H13NO

>  <MolWeight> (2,150)
211.25912

>  <PCAT_CMPD_ID> (2,150)
WAY-306737

>  <CNC_ID> (2,150)
359409235

>  <transfer_container_id> (2,150)
PTN000000073

>  <COMPOUND_NUMBER> (2,150)
WAY-306737

>  <LOCATION_CODE> (2,150)
PTNCS

>  <AMOUNT_CURRENT> (2,150)
33.2

$$$$
WAY-306531
csChFnd80/10101909502D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,151)
2153

>  <Formula> (2,151)
C7H9NO4S

>  <MolWeight> (2,151)
203.21566

>  <PCAT_CMPD_ID> (2,151)
WAY-306531

>  <CNC_ID> (2,151)
359409030

>  <transfer_container_id> (2,151)
PTN000000073

>  <COMPOUND_NUMBER> (2,151)
WAY-306531

>  <LOCATION_CODE> (2,151)
PTNCS

>  <AMOUNT_CURRENT> (2,151)
33.4

$$$$
WAY-306932
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,152)
2154

>  <Formula> (2,152)
C12H17N5

>  <MolWeight> (2,152)
231.29688

>  <PCAT_CMPD_ID> (2,152)
WAY-306932

>  <CNC_ID> (2,152)
359409430

>  <transfer_container_id> (2,152)
PTN000000073

>  <COMPOUND_NUMBER> (2,152)
WAY-306932

>  <LOCATION_CODE> (2,152)
PTNCS

>  <AMOUNT_CURRENT> (2,152)
33.5

$$$$
WAY-306990
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,153)
2155

>  <Formula> (2,153)
C17H16N4O3

>  <MolWeight> (2,153)
324.33394

>  <PCAT_CMPD_ID> (2,153)
WAY-306990

>  <CNC_ID> (2,153)
359409488

>  <transfer_container_id> (2,153)
PTN000000073

>  <COMPOUND_NUMBER> (2,153)
WAY-306990

>  <LOCATION_CODE> (2,153)
PTNCS

>  <AMOUNT_CURRENT> (2,153)
33.2

$$$$
WAY-307009
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,154)
2156

>  <Formula> (2,154)
C16H17N3O3S

>  <MolWeight> (2,154)
331.38948

>  <PCAT_CMPD_ID> (2,154)
WAY-307009

>  <CNC_ID> (2,154)
359409507

>  <transfer_container_id> (2,154)
PTN000000073

>  <COMPOUND_NUMBER> (2,154)
WAY-307009

>  <LOCATION_CODE> (2,154)
PTNCS

>  <AMOUNT_CURRENT> (2,154)
33.8

$$$$
WAY-307290-A
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,155)
2157

>  <Formula> (2,155)
C13H17NO2

>  <MolWeight> (2,155)
219.27958

>  <PCAT_CMPD_ID> (2,155)
WAY-307290-A

>  <CNC_ID> (2,155)
359409789

>  <transfer_container_id> (2,155)
PTN000000073

>  <COMPOUND_NUMBER> (2,155)
WAY-307290-A

>  <LOCATION_CODE> (2,155)
PTNCS

>  <AMOUNT_CURRENT> (2,155)
33.3

$$$$
WAY-307471
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,156)
2158

>  <Formula> (2,156)
C17H17N3O

>  <MolWeight> (2,156)
279.33638

>  <PCAT_CMPD_ID> (2,156)
WAY-307471

>  <CNC_ID> (2,156)
359409970

>  <transfer_container_id> (2,156)
PTN000000073

>  <COMPOUND_NUMBER> (2,156)
WAY-307471

>  <LOCATION_CODE> (2,156)
PTNCS

>  <AMOUNT_CURRENT> (2,156)
33.2

$$$$
WAY-385837
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,157)
2159

>  <Formula> (2,157)
C9H6N2O3

>  <MolWeight> (2,157)
190.15554

>  <PCAT_CMPD_ID> (2,157)
WAY-385837

>  <CNC_ID> (2,157)
359412798

>  <transfer_container_id> (2,157)
PTN000000073

>  <COMPOUND_NUMBER> (2,157)
WAY-385837

>  <LOCATION_CODE> (2,157)
PTNCS

>  <AMOUNT_CURRENT> (2,157)
32.4

$$$$
WAY-386136
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,158)
2160

>  <Formula> (2,158)
C14H12INO2S

>  <MolWeight> (2,158)
385.22005

>  <PCAT_CMPD_ID> (2,158)
WAY-386136

>  <CNC_ID> (2,158)
359413083

>  <transfer_container_id> (2,158)
PTN000000073

>  <COMPOUND_NUMBER> (2,158)
WAY-386136

>  <LOCATION_CODE> (2,158)
PTNCS

>  <AMOUNT_CURRENT> (2,158)
32.7

$$$$
WAY-387257
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  5  2  0  0  0  0
 12  7  2  0  0  0  0
 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 15 20  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18 14  2  0  0  0  0
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  3  5  1  0  0  0  0
 21 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,159)
2161

>  <Formula> (2,159)
C17H17F2NO3S

>  <MolWeight> (2,159)
353.3835864

>  <PCAT_CMPD_ID> (2,159)
WAY-387257

>  <CNC_ID> (2,159)
359413800

>  <transfer_container_id> (2,159)
PTN000000073

>  <COMPOUND_NUMBER> (2,159)
WAY-387257

>  <LOCATION_CODE> (2,159)
PTNCS

>  <AMOUNT_CURRENT> (2,159)
32.6

$$$$
WAY-308442
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  1  3  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  4  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 20  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 14 20  2  0  0  0  0
 21 13  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  1  0  0  0  0
  7  2  1  0  0  0  0
  9 11  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,160)
2162

>  <Formula> (2,160)
C16H17Cl2N5

>  <MolWeight> (2,160)
350.24568

>  <PCAT_CMPD_ID> (2,160)
WAY-308442

>  <CNC_ID> (2,160)
359421295

>  <transfer_container_id> (2,160)
PTN000000074

>  <COMPOUND_NUMBER> (2,160)
WAY-308442

>  <LOCATION_CODE> (2,160)
PTNCS

>  <AMOUNT_CURRENT> (2,160)
33.7

$$$$
WAY-342135
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  1  1  0  0  0  0
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  7  1  2  0  0  0  0
  8  3  2  0  0  0  0
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 10 17  2  0  0  0  0
 11 16  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  2  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18  2  1  0  0  0  0
 19  9  1  0  0  0  0
 20  9  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 24 22  1  0  0  0  0
  4 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,161)
2163

>  <Formula> (2,161)
C18H24N2O4

>  <MolWeight> (2,161)
332.39416

>  <PCAT_CMPD_ID> (2,161)
WAY-342135

>  <CNC_ID> (2,161)
359427057

>  <transfer_container_id> (2,161)
PTN000000074

>  <COMPOUND_NUMBER> (2,161)
WAY-342135

>  <LOCATION_CODE> (2,161)
PTNCS

>  <AMOUNT_CURRENT> (2,161)
32.3

$$$$
WAY-345315
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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  8  5  1  0  0  0  0
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 10 12  1  0  0  0  0
 11  6  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17 13  1  0  0  0  0
 18  8  2  0  0  0  0
 19  7  2  0  0  0  0
 20 10  2  0  0  0  0
 21 13  2  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  2  0  0  0  0
  7  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,162)
2164

>  <Formula> (2,162)
C16H12ClF3N2O3

>  <MolWeight> (2,162)
372.7262896

>  <PCAT_CMPD_ID> (2,162)
WAY-345315

>  <CNC_ID> (2,162)
359433546

>  <transfer_container_id> (2,162)
PTN000000075

>  <COMPOUND_NUMBER> (2,162)
WAY-345315

>  <LOCATION_CODE> (2,162)
PTNCS

>  <AMOUNT_CURRENT> (2,162)
32.2

$$$$
WAY-346622
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7 14  2  0  0  0  0
  8  3  1  0  0  0  0
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 10 13  1  0  0  0  0
 11  8  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 11  1  0  0  0  0
 15  5  2  0  0  0  0
 16  2  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  2  0  0  0  0
  4 12  2  0  0  0  0
 10  6  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,163)
2165

>  <Formula> (2,163)
C20H18O4

>  <MolWeight> (2,163)
322.35452

>  <PCAT_CMPD_ID> (2,163)
WAY-346622

>  <CNC_ID> (2,163)
359434505

>  <transfer_container_id> (2,163)
PTN000000075

>  <COMPOUND_NUMBER> (2,163)
WAY-346622

>  <LOCATION_CODE> (2,163)
PTNCS

>  <AMOUNT_CURRENT> (2,163)
32.4

$$$$
WAY-349001
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
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  8  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10 14  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  2  0  0  0  0
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 15 11  2  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
 18 12  1  0  0  0  0
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 20  6  1  0  0  0  0
 21 11  1  0  0  0  0
 22 18  1  0  0  0  0
  6  7  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,164)
2166

>  <Formula> (2,164)
C16H16Cl2N2OS

>  <MolWeight> (2,164)
355.28204

>  <PCAT_CMPD_ID> (2,164)
WAY-349001

>  <CNC_ID> (2,164)
359436802

>  <transfer_container_id> (2,164)
PTN000000075

>  <COMPOUND_NUMBER> (2,164)
WAY-349001

>  <LOCATION_CODE> (2,164)
PTNCS

>  <AMOUNT_CURRENT> (2,164)
32.4

$$$$
WAY-351887
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  6  2  0  0  0  0
  4  2  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 12 10  2  0  0  0  0
 13  7  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19  4  1  0  0  0  0
 20  6  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
  5  3  1  0  0  0  0
 15 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,165)
2167

>  <Formula> (2,165)
C14H17N3O4S

>  <MolWeight> (2,165)
323.36748

>  <PCAT_CMPD_ID> (2,165)
WAY-351887

>  <CNC_ID> (2,165)
359439572

>  <transfer_container_id> (2,165)
PTN000000075

>  <COMPOUND_NUMBER> (2,165)
WAY-351887

>  <LOCATION_CODE> (2,165)
PTNCS

>  <AMOUNT_CURRENT> (2,165)
32.4

$$$$
WAY-353652
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  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 10  2  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  2  0  0  0  0
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 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
  9  8  2  0  0  0  0
  7  5  1  0  0  0  0
 16 24  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,166)
2168

>  <Formula> (2,166)
C17H10Cl2N4O

>  <MolWeight> (2,166)
357.1935

>  <PCAT_CMPD_ID> (2,166)
WAY-353652

>  <CNC_ID> (2,166)
359441281

>  <transfer_container_id> (2,166)
PTN000000075

>  <COMPOUND_NUMBER> (2,166)
WAY-353652

>  <LOCATION_CODE> (2,166)
PTNCS

>  <AMOUNT_CURRENT> (2,166)
32.3

$$$$
WAY-353660
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.5292   -9.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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 10  6  2  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 13  6  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 10  1  0  0  0  0
 17  5  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
  9  7  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,167)
2169

>  <Formula> (2,167)
C15H18N2O4

>  <MolWeight> (2,167)
290.31442

>  <PCAT_CMPD_ID> (2,167)
WAY-353660

>  <CNC_ID> (2,167)
359441289

>  <transfer_container_id> (2,167)
PTN000000075

>  <COMPOUND_NUMBER> (2,167)
WAY-353660

>  <LOCATION_CODE> (2,167)
PTNCS

>  <AMOUNT_CURRENT> (2,167)
32.2

$$$$
WAY-358505
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
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 17  9  1  0  0  0  0
 18  5  1  0  0  0  0
 19 11  1  0  0  0  0
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 21  9  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  6  4  2  0  0  0  0
 21 23  2  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,168)
2170

>  <Formula> (2,168)
C18H18N4O

>  <MolWeight> (2,168)
306.36172

>  <PCAT_CMPD_ID> (2,168)
WAY-358505

>  <CNC_ID> (2,168)
359446220

>  <transfer_container_id> (2,168)
PTN000000076

>  <COMPOUND_NUMBER> (2,168)
WAY-358505

>  <LOCATION_CODE> (2,168)
PTNCS

>  <AMOUNT_CURRENT> (2,168)
32.6

$$$$
WAY-358757
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,169)
2171

>  <Formula> (2,169)
C17H18O4

>  <MolWeight> (2,169)
286.32242

>  <PCAT_CMPD_ID> (2,169)
WAY-358757

>  <CNC_ID> (2,169)
359446463

>  <transfer_container_id> (2,169)
PTN000000076

>  <COMPOUND_NUMBER> (2,169)
WAY-358757

>  <LOCATION_CODE> (2,169)
PTNCS

>  <AMOUNT_CURRENT> (2,169)
32.3

$$$$
WAY-359041
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,170)
2172

>  <Formula> (2,170)
C17H16Cl2N2O3

>  <MolWeight> (2,170)
367.22654

>  <PCAT_CMPD_ID> (2,170)
WAY-359041

>  <CNC_ID> (2,170)
359446743

>  <transfer_container_id> (2,170)
PTN000000076

>  <COMPOUND_NUMBER> (2,170)
WAY-359041

>  <LOCATION_CODE> (2,170)
PTNCS

>  <AMOUNT_CURRENT> (2,170)
32.8

$$$$
WAY-310721-A
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,171)
2173

>  <Formula> (2,171)
C14H18N2O

>  <MolWeight> (2,171)
230.30552

>  <PCAT_CMPD_ID> (2,171)
WAY-310721-A

>  <CNC_ID> (2,171)
359314462

>  <transfer_container_id> (2,171)
PTN000000065

>  <COMPOUND_NUMBER> (2,171)
WAY-310721-A

>  <LOCATION_CODE> (2,171)
PTNCS

>  <AMOUNT_CURRENT> (2,171)
33.2

$$$$
WAY-643080
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 13  4  2  0  0  0  0
M  END
>  <Mol_ID> (2,172)
2174

>  <Formula> (2,172)
C18H18Cl2N2O2

>  <MolWeight> (2,172)
365.25372

>  <PCAT_CMPD_ID> (2,172)
WAY-643080

>  <CNC_ID> (2,172)
359324818

>  <transfer_container_id> (2,172)
PTN000000065

>  <COMPOUND_NUMBER> (2,172)
WAY-643080

>  <LOCATION_CODE> (2,172)
PTNCS

>  <AMOUNT_CURRENT> (2,172)
32.5

$$$$
WAY-623579
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,173)
2175

>  <Formula> (2,173)
C15H9BrF2N2S

>  <MolWeight> (2,173)
367.2111664

>  <PCAT_CMPD_ID> (2,173)
WAY-623579

>  <CNC_ID> (2,173)
359322199

>  <transfer_container_id> (2,173)
PTN000000065

>  <COMPOUND_NUMBER> (2,173)
WAY-623579

>  <LOCATION_CODE> (2,173)
PTNCS

>  <AMOUNT_CURRENT> (2,173)
32.5

$$$$
WAY-663172
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10 18  2  0  0  0  0
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M  END
>  <Mol_ID> (2,174)
2176

>  <Formula> (2,174)
C21H22ClN3O2S

>  <MolWeight> (2,174)
415.93628

>  <PCAT_CMPD_ID> (2,174)
WAY-663172

>  <CNC_ID> (2,174)
359326075

>  <transfer_container_id> (2,174)
PTN000000065

>  <COMPOUND_NUMBER> (2,174)
WAY-663172

>  <LOCATION_CODE> (2,174)
PTNCS

>  <AMOUNT_CURRENT> (2,174)
32.1

$$$$
WAY-641777
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 17  3  1  0  0  0  0
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 13 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,175)
2177

>  <Formula> (2,175)
C11H8ClNO3S

>  <MolWeight> (2,175)
269.70412

>  <PCAT_CMPD_ID> (2,175)
WAY-641777

>  <CNC_ID> (2,175)
359323515

>  <transfer_container_id> (2,175)
PTN000000065

>  <COMPOUND_NUMBER> (2,175)
WAY-641777

>  <LOCATION_CODE> (2,175)
PTNCS

>  <AMOUNT_CURRENT> (2,175)
32.7

$$$$
WAY-616406
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
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  8  5  1  0  0  0  0
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 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
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 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  8  2  0  0  0  0
 16  9  1  0  0  0  0
 17  4  1  0  0  0  0
  4 10  1  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,176)
2178

>  <Formula> (2,176)
C10H9ClN2O3S

>  <MolWeight> (2,176)
272.70806

>  <PCAT_CMPD_ID> (2,176)
WAY-616406

>  <CNC_ID> (2,176)
359321491

>  <transfer_container_id> (2,176)
PTN000000065

>  <COMPOUND_NUMBER> (2,176)
WAY-616406

>  <LOCATION_CODE> (2,176)
PTNCS

>  <AMOUNT_CURRENT> (2,176)
32.7

$$$$
WAY-642461
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 11  6  2  0  0  0  0
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 14  4  1  0  0  0  0
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 18 13  1  0  0  0  0
 19  7  2  0  0  0  0
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 24 13  1  0  0  0  0
 12 18  2  0  0  0  0
 14 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,177)
2179

>  <Formula> (2,177)
C16H20N4O2S2

>  <MolWeight> (2,177)
364.4856

>  <PCAT_CMPD_ID> (2,177)
WAY-642461

>  <CNC_ID> (2,177)
359324199

>  <transfer_container_id> (2,177)
PTN000000065

>  <COMPOUND_NUMBER> (2,177)
WAY-642461

>  <LOCATION_CODE> (2,177)
PTNCS

>  <AMOUNT_CURRENT> (2,177)
32.8

$$$$
WAY-626795
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,178)
2180

>  <Formula> (2,178)
C16H14N2O2

>  <MolWeight> (2,178)
266.29456

>  <PCAT_CMPD_ID> (2,178)
WAY-626795

>  <CNC_ID> (2,178)
359335600

>  <transfer_container_id> (2,178)
PTN000000067

>  <COMPOUND_NUMBER> (2,178)
WAY-626795

>  <LOCATION_CODE> (2,178)
PTNCS

>  <AMOUNT_CURRENT> (2,178)
32

$$$$
WAY-646415
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 10 11  2  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,179)
2181

>  <Formula> (2,179)
C14H12N2S2

>  <MolWeight> (2,179)
272.38848

>  <PCAT_CMPD_ID> (2,179)
WAY-646415

>  <CNC_ID> (2,179)
359339088

>  <transfer_container_id> (2,179)
PTN000000067

>  <COMPOUND_NUMBER> (2,179)
WAY-646415

>  <LOCATION_CODE> (2,179)
PTNCS

>  <AMOUNT_CURRENT> (2,179)
32.6

$$$$
WAY-273903
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,180)
2182

>  <Formula> (2,180)
C19H20N2O3S

>  <MolWeight> (2,180)
356.4387

>  <PCAT_CMPD_ID> (2,180)
WAY-273903

>  <CNC_ID> (2,180)
359341172

>  <transfer_container_id> (2,180)
PTN000000068

>  <COMPOUND_NUMBER> (2,180)
WAY-273903

>  <LOCATION_CODE> (2,180)
PTNCS

>  <AMOUNT_CURRENT> (2,180)
32.5

$$$$
WAY-611850
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,181)
2183

>  <Formula> (2,181)
C17H18N2O2

>  <MolWeight> (2,181)
282.33702

>  <PCAT_CMPD_ID> (2,181)
WAY-611850

>  <CNC_ID> (2,181)
359347752

>  <transfer_container_id> (2,181)
PTN000000068

>  <COMPOUND_NUMBER> (2,181)
WAY-611850

>  <LOCATION_CODE> (2,181)
PTNCS

>  <AMOUNT_CURRENT> (2,181)
32.6

$$$$
WAY-612315-A
csChFnd80/10101909502D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,182)
2184

>  <Formula> (2,182)
C6H12N2S

>  <MolWeight> (2,182)
144.23788

>  <PCAT_CMPD_ID> (2,182)
WAY-612315-A

>  <CNC_ID> (2,182)
359348217

>  <transfer_container_id> (2,182)
PTN000000068

>  <COMPOUND_NUMBER> (2,182)
WAY-612315-A

>  <LOCATION_CODE> (2,182)
PTNCS

>  <AMOUNT_CURRENT> (2,182)
32.6

$$$$
WAY-612471
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,183)
2185

>  <Formula> (2,183)
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>  <MolWeight> (2,183)
225.28416

>  <PCAT_CMPD_ID> (2,183)
WAY-612471

>  <CNC_ID> (2,183)
359348373

>  <transfer_container_id> (2,183)
PTN000000068

>  <COMPOUND_NUMBER> (2,183)
WAY-612471

>  <LOCATION_CODE> (2,183)
PTNCS

>  <AMOUNT_CURRENT> (2,183)
32.8

$$$$
WAY-612519
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,184)
2186

>  <Formula> (2,184)
C17H13N3O3

>  <MolWeight> (2,184)
307.30342

>  <PCAT_CMPD_ID> (2,184)
WAY-612519

>  <CNC_ID> (2,184)
359348421

>  <transfer_container_id> (2,184)
PTN000000068

>  <COMPOUND_NUMBER> (2,184)
WAY-612519

>  <LOCATION_CODE> (2,184)
PTNCS

>  <AMOUNT_CURRENT> (2,184)
32.3

$$$$
WAY-612602
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,185)
2187

>  <Formula> (2,185)
C19H19N3O2

>  <MolWeight> (2,185)
321.37306

>  <PCAT_CMPD_ID> (2,185)
WAY-612602

>  <CNC_ID> (2,185)
359348504

>  <transfer_container_id> (2,185)
PTN000000068

>  <COMPOUND_NUMBER> (2,185)
WAY-612602

>  <LOCATION_CODE> (2,185)
PTNCS

>  <AMOUNT_CURRENT> (2,185)
33

$$$$
WAY-612861
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,186)
2188

>  <Formula> (2,186)
C19H18N2O5S2

>  <MolWeight> (2,186)
418.48662

>  <PCAT_CMPD_ID> (2,186)
WAY-612861

>  <CNC_ID> (2,186)
359348762

>  <transfer_container_id> (2,186)
PTN000000068

>  <COMPOUND_NUMBER> (2,186)
WAY-612861

>  <LOCATION_CODE> (2,186)
PTNCS

>  <AMOUNT_CURRENT> (2,186)
32.6

$$$$
WAY-627928
csChFnd80/10101909502D

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 10 14  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13  1  1  0  0  0  0
 14 13  2  0  0  0  0
 15  2  2  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20  7  1  0  0  0  0
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 10  3  2  0  0  0  0
  5  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,187)
2189

>  <Formula> (2,187)
C14H13Cl2N3O4

>  <MolWeight> (2,187)
358.17672

>  <PCAT_CMPD_ID> (2,187)
WAY-627928

>  <CNC_ID> (2,187)
359349078

>  <transfer_container_id> (2,187)
PTN000000068

>  <COMPOUND_NUMBER> (2,187)
WAY-627928

>  <LOCATION_CODE> (2,187)
PTNCS

>  <AMOUNT_CURRENT> (2,187)
32.8

$$$$
WAY-628054
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  3  2  0  0  0  0
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 13  9  2  0  0  0  0
 14 21  1  0  0  0  0
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 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  1  0  0  0  0
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 23 16  1  0  0  0  0
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 14 23  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,188)
2190

>  <Formula> (2,188)
C15H19N3O5

>  <MolWeight> (2,188)
321.32846

>  <PCAT_CMPD_ID> (2,188)
WAY-628054

>  <CNC_ID> (2,188)
359349204

>  <transfer_container_id> (2,188)
PTN000000068

>  <COMPOUND_NUMBER> (2,188)
WAY-628054

>  <LOCATION_CODE> (2,188)
PTNCS

>  <AMOUNT_CURRENT> (2,188)
32.7

$$$$
WAY-628614
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  4  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
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 16  5  2  0  0  0  0
 17  5  1  0  0  0  0
 18  3  1  0  0  0  0
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 20 23  1  0  0  0  0
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M  END
>  <Mol_ID> (2,189)
2191

>  <Formula> (2,189)
C19H28N2O5S

>  <MolWeight> (2,189)
396.50102

>  <PCAT_CMPD_ID> (2,189)
WAY-628614

>  <CNC_ID> (2,189)
359349765

>  <transfer_container_id> (2,189)
PTN000000068

>  <COMPOUND_NUMBER> (2,189)
WAY-628614

>  <LOCATION_CODE> (2,189)
PTNCS

>  <AMOUNT_CURRENT> (2,189)
32.7

$$$$
WAY-628618
csChFnd80/10101909502D

 18 21  0  0  0  0  0  0  0  0999 V2000
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 11  7  2  0  0  0  0
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M  END
>  <Mol_ID> (2,190)
2192

>  <Formula> (2,190)
C11H7N7

>  <MolWeight> (2,190)
237.22018

>  <PCAT_CMPD_ID> (2,190)
WAY-628618

>  <CNC_ID> (2,190)
359349769

>  <transfer_container_id> (2,190)
PTN000000068

>  <COMPOUND_NUMBER> (2,190)
WAY-628618

>  <LOCATION_CODE> (2,190)
PTNCS

>  <AMOUNT_CURRENT> (2,190)
32.5

$$$$
WAY-629287
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,191)
2193

>  <Formula> (2,191)
C17H18FNO4

>  <MolWeight> (2,191)
319.3275232

>  <PCAT_CMPD_ID> (2,191)
WAY-629287

>  <CNC_ID> (2,191)
359350437

>  <transfer_container_id> (2,191)
PTN000000068

>  <COMPOUND_NUMBER> (2,191)
WAY-629287

>  <LOCATION_CODE> (2,191)
PTNCS

>  <AMOUNT_CURRENT> (2,191)
32.4

$$$$
WAY-629303-A
csChFnd80/10101909502D

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 14  7  1  0  0  0  0
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M  END
>  <Mol_ID> (2,192)
2194

>  <Formula> (2,192)
C18H23N3O

>  <MolWeight> (2,192)
297.39472

>  <PCAT_CMPD_ID> (2,192)
WAY-629303-A

>  <CNC_ID> (2,192)
359350453

>  <transfer_container_id> (2,192)
PTN000000068

>  <COMPOUND_NUMBER> (2,192)
WAY-629303-A

>  <LOCATION_CODE> (2,192)
PTNCS

>  <AMOUNT_CURRENT> (2,192)
32.3

$$$$
WAY-629777
csChFnd80/10101909502D

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 13 12  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,193)
2195

>  <Formula> (2,193)
C16H20N2O2S

>  <MolWeight> (2,193)
304.4072

>  <PCAT_CMPD_ID> (2,193)
WAY-629777

>  <CNC_ID> (2,193)
359350927

>  <transfer_container_id> (2,193)
PTN000000068

>  <COMPOUND_NUMBER> (2,193)
WAY-629777

>  <LOCATION_CODE> (2,193)
PTNCS

>  <AMOUNT_CURRENT> (2,193)
32.4

$$$$
WL-153777
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11 14  2  0  0  0  0
 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (2,194)
2196

>  <Formula> (2,194)
C21H18N4O2

>  <MolWeight> (2,194)
358.39322

>  <PCAT_CMPD_ID> (2,194)
WL-153777

>  <CNC_ID> (2,194)
359353673

>  <transfer_container_id> (2,194)
PTN000000068

>  <COMPOUND_NUMBER> (2,194)
WL-153777

>  <LOCATION_CODE> (2,194)
PTNCS

>  <AMOUNT_CURRENT> (2,194)
32.9

$$$$
WAY-614676
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,195)
2197

>  <Formula> (2,195)
C16H9ClF3N3O2

>  <MolWeight> (2,195)
367.7097696

>  <PCAT_CMPD_ID> (2,195)
WAY-614676

>  <CNC_ID> (2,195)
359362699

>  <transfer_container_id> (2,195)
PTN000000069

>  <COMPOUND_NUMBER> (2,195)
WAY-614676

>  <LOCATION_CODE> (2,195)
PTNCS

>  <AMOUNT_CURRENT> (2,195)
32.3

$$$$
WAY-632087
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,196)
2198

>  <Formula> (2,196)
C13H16N2O5

>  <MolWeight> (2,196)
280.27654

>  <PCAT_CMPD_ID> (2,196)
WAY-632087

>  <CNC_ID> (2,196)
359364607

>  <transfer_container_id> (2,196)
PTN000000069

>  <COMPOUND_NUMBER> (2,196)
WAY-632087

>  <LOCATION_CODE> (2,196)
PTNCS

>  <AMOUNT_CURRENT> (2,196)
32.6

$$$$
WAY-632108
csChFnd80/10101909502D

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 11  8  1  0  0  0  0
 12 17  2  0  0  0  0
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 15 11  2  0  0  0  0
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 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,197)
2199

>  <Formula> (2,197)
C17H15ClN2OS

>  <MolWeight> (2,197)
330.8318

>  <PCAT_CMPD_ID> (2,197)
WAY-632108

>  <CNC_ID> (2,197)
359364628

>  <transfer_container_id> (2,197)
PTN000000069

>  <COMPOUND_NUMBER> (2,197)
WAY-632108

>  <LOCATION_CODE> (2,197)
PTNCS

>  <AMOUNT_CURRENT> (2,197)
32.9

$$$$
WAY-649721
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,198)
2200

>  <Formula> (2,198)
C18H18N2O3S

>  <MolWeight> (2,198)
342.41212

>  <PCAT_CMPD_ID> (2,198)
WAY-649721

>  <CNC_ID> (2,198)
359365428

>  <transfer_container_id> (2,198)
PTN000000069

>  <COMPOUND_NUMBER> (2,198)
WAY-649721

>  <LOCATION_CODE> (2,198)
PTNCS

>  <AMOUNT_CURRENT> (2,198)
32

$$$$
WAY-650069
csChFnd80/10101909502D

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 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,199)
2201

>  <Formula> (2,199)
C15H18N4O2

>  <MolWeight> (2,199)
286.32902

>  <PCAT_CMPD_ID> (2,199)
WAY-650069

>  <CNC_ID> (2,199)
359365776

>  <transfer_container_id> (2,199)
PTN000000069

>  <COMPOUND_NUMBER> (2,199)
WAY-650069

>  <LOCATION_CODE> (2,199)
PTNCS

>  <AMOUNT_CURRENT> (2,199)
32.4

$$$$
WAY-651434
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 20  6  1  0  0  0  0
 21  6  1  0  0  0  0
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 24 14  1  0  0  0  0
 14  8  2  0  0  0  0
 15 19  2  0  0  0  0
  9 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,200)
2202

>  <Formula> (2,200)
C19H21ClN2O2

>  <MolWeight> (2,200)
344.83524

>  <PCAT_CMPD_ID> (2,200)
WAY-651434

>  <CNC_ID> (2,200)
359367141

>  <transfer_container_id> (2,200)
PTN000000069

>  <COMPOUND_NUMBER> (2,200)
WAY-651434

>  <LOCATION_CODE> (2,200)
PTNCS

>  <AMOUNT_CURRENT> (2,200)
32.5

$$$$
WAY-601407
csChFnd80/10101909502D

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 28  7  1  0  0  0  0
 29 21  1  0  0  0  0
 30 29  1  0  0  0  0
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 32 28  2  0  0  0  0
  8  6  1  0  0  0  0
 31 22  2  0  0  0  0
 11  9  1  0  0  0  0
 20 24  1  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,201)
2203

>  <Formula> (2,201)
C25H20BrN3O3

>  <MolWeight> (2,201)
490.3486

>  <PCAT_CMPD_ID> (2,201)
WAY-601407

>  <CNC_ID> (2,201)
359375135

>  <transfer_container_id> (2,201)
PTN000000070

>  <COMPOUND_NUMBER> (2,201)
WAY-601407

>  <LOCATION_CODE> (2,201)
PTNCS

>  <AMOUNT_CURRENT> (2,201)
32.4

$$$$
WAY-600826
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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 13  3  1  0  0  0  0
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 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
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 18 10  2  0  0  0  0
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 11  6  2  0  0  0  0
 26 24  1  0  0  0  0
 27 22  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,202)
2204

>  <Formula> (2,202)
C24H17NO2

>  <MolWeight> (2,202)
351.39728

>  <PCAT_CMPD_ID> (2,202)
WAY-600826

>  <CNC_ID> (2,202)
359374554

>  <transfer_container_id> (2,202)
PTN000000070

>  <COMPOUND_NUMBER> (2,202)
WAY-600826

>  <LOCATION_CODE> (2,202)
PTNCS

>  <AMOUNT_CURRENT> (2,202)
32.1

$$$$
WAY-601760
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.1995   -0.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,203)
2205

>  <Formula> (2,203)
C9H7NO2

>  <MolWeight> (2,203)
161.15738

>  <PCAT_CMPD_ID> (2,203)
WAY-601760

>  <CNC_ID> (2,203)
359375488

>  <transfer_container_id> (2,203)
PTN000000070

>  <COMPOUND_NUMBER> (2,203)
WAY-601760

>  <LOCATION_CODE> (2,203)
PTNCS

>  <AMOUNT_CURRENT> (2,203)
32.4

$$$$
WAY-601848
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 11  3  1  0  0  0  0
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M  END
>  <Mol_ID> (2,204)
2206

>  <Formula> (2,204)
C12H21NO3

>  <MolWeight> (2,204)
227.30004

>  <PCAT_CMPD_ID> (2,204)
WAY-601848

>  <CNC_ID> (2,204)
359375577

>  <transfer_container_id> (2,204)
PTN000000070

>  <COMPOUND_NUMBER> (2,204)
WAY-601848

>  <LOCATION_CODE> (2,204)
PTNCS

>  <AMOUNT_CURRENT> (2,204)
32.7

$$$$
WAY-633008
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  3  2  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14  4  1  0  0  0  0
 15  2  1  0  0  0  0
 16 18  1  0  0  0  0
 17 23  1  0  0  0  0
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 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
  8  9  2  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,205)
2207

>  <Formula> (2,205)
C18H22N2O3

>  <MolWeight> (2,205)
314.37888

>  <PCAT_CMPD_ID> (2,205)
WAY-633008

>  <CNC_ID> (2,205)
359377124

>  <transfer_container_id> (2,205)
PTN000000070

>  <COMPOUND_NUMBER> (2,205)
WAY-633008

>  <LOCATION_CODE> (2,205)
PTNCS

>  <AMOUNT_CURRENT> (2,205)
32.8

$$$$
WAY-272028
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,206)
2208

>  <Formula> (2,206)
C9H8N2O2

>  <MolWeight> (2,206)
176.17202

>  <PCAT_CMPD_ID> (2,206)
WAY-272028

>  <CNC_ID> (2,206)
359381551

>  <transfer_container_id> (2,206)
PTN000000071

>  <COMPOUND_NUMBER> (2,206)
WAY-272028

>  <LOCATION_CODE> (2,206)
PTNCS

>  <AMOUNT_CURRENT> (2,206)
32.5

$$$$
WAY-272519
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,207)
2209

>  <Formula> (2,207)
C12H14Cl2O6

>  <MolWeight> (2,207)
325.14196

>  <PCAT_CMPD_ID> (2,207)
WAY-272519

>  <CNC_ID> (2,207)
359382042

>  <transfer_container_id> (2,207)
PTN000000071

>  <COMPOUND_NUMBER> (2,207)
WAY-272519

>  <LOCATION_CODE> (2,207)
PTNCS

>  <AMOUNT_CURRENT> (2,207)
32.5

$$$$
WAY-272541
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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 12 19  2  0  0  0  0
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 14 10  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
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 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,208)
2210

>  <Formula> (2,208)
C16H10Cl2N2O2

>  <MolWeight> (2,208)
333.1688

>  <PCAT_CMPD_ID> (2,208)
WAY-272541

>  <CNC_ID> (2,208)
359382064

>  <transfer_container_id> (2,208)
PTN000000071

>  <COMPOUND_NUMBER> (2,208)
WAY-272541

>  <LOCATION_CODE> (2,208)
PTNCS

>  <AMOUNT_CURRENT> (2,208)
32.5

$$$$
WAY-601952
csChFnd80/10101909502D

 23 27  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 13 12  2  0  0  0  0
 14  5  2  0  0  0  0
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 17 10  1  0  0  0  0
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  6  3  1  0  0  0  0
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 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,209)
2211

>  <Formula> (2,209)
C18H14N2O2S

>  <MolWeight> (2,209)
322.38096

>  <PCAT_CMPD_ID> (2,209)
WAY-601952

>  <CNC_ID> (2,209)
359387900

>  <transfer_container_id> (2,209)
PTN000000071

>  <COMPOUND_NUMBER> (2,209)
WAY-601952

>  <LOCATION_CODE> (2,209)
PTNCS

>  <AMOUNT_CURRENT> (2,209)
32.8

$$$$
WAY-603091
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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  4  6  1  0  0  0  0
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 14  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,210)
2212

>  <Formula> (2,210)
C15H11NO4

>  <MolWeight> (2,210)
269.25214

>  <PCAT_CMPD_ID> (2,210)
WAY-603091

>  <CNC_ID> (2,210)
359389039

>  <transfer_container_id> (2,210)
PTN000000071

>  <COMPOUND_NUMBER> (2,210)
WAY-603091

>  <LOCATION_CODE> (2,210)
PTNCS

>  <AMOUNT_CURRENT> (2,210)
32.6

$$$$
WAY-634985
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  6  5  2  0  0  0  0
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 22 21  1  0  0  0  0
 19 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,211)
2213

>  <Formula> (2,211)
C18H21N3OS

>  <MolWeight> (2,211)
327.44384

>  <PCAT_CMPD_ID> (2,211)
WAY-634985

>  <CNC_ID> (2,211)
359390086

>  <transfer_container_id> (2,211)
PTN000000071

>  <COMPOUND_NUMBER> (2,211)
WAY-634985

>  <LOCATION_CODE> (2,211)
PTNCS

>  <AMOUNT_CURRENT> (2,211)
32.5

$$$$
WAY-635762
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,212)
2214

>  <Formula> (2,212)
C22H33N5O4

>  <MolWeight> (2,212)
431.52852

>  <PCAT_CMPD_ID> (2,212)
WAY-635762

>  <CNC_ID> (2,212)
359390862

>  <transfer_container_id> (2,212)
PTN000000071

>  <COMPOUND_NUMBER> (2,212)
WAY-635762

>  <LOCATION_CODE> (2,212)
PTNCS

>  <AMOUNT_CURRENT> (2,212)
32.2

$$$$
WAY-653858
csChFnd80/10101909502D

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 11  8  1  0  0  0  0
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 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
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 13  3  2  0  0  0  0
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 17 15  2  0  0  0  0
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M  END
>  <Mol_ID> (2,213)
2215

>  <Formula> (2,213)
C21H17N3O2S2

>  <MolWeight> (2,213)
407.50858

>  <PCAT_CMPD_ID> (2,213)
WAY-653858

>  <CNC_ID> (2,213)
359392099

>  <transfer_container_id> (2,213)
PTN000000071

>  <COMPOUND_NUMBER> (2,213)
WAY-653858

>  <LOCATION_CODE> (2,213)
PTNCS

>  <AMOUNT_CURRENT> (2,213)
32.8

$$$$
WAY-655322
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 17  2  0  0  0  0
 11  6  1  0  0  0  0
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 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
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 20  5  1  0  0  0  0
 21  5  2  0  0  0  0
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  8 19  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,214)
2216

>  <Formula> (2,214)
C18H15ClN2O2S

>  <MolWeight> (2,214)
358.8419

>  <PCAT_CMPD_ID> (2,214)
WAY-655322

>  <CNC_ID> (2,214)
359393562

>  <transfer_container_id> (2,214)
PTN000000071

>  <COMPOUND_NUMBER> (2,214)
WAY-655322

>  <LOCATION_CODE> (2,214)
PTNCS

>  <AMOUNT_CURRENT> (2,214)
32.1

$$$$
WAY-604076
csChFnd80/10101909502D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,215)
2217

>  <Formula> (2,215)
C26H22N2O5

>  <MolWeight> (2,215)
442.46328

>  <PCAT_CMPD_ID> (2,215)
WAY-604076

>  <CNC_ID> (2,215)
359401911

>  <transfer_container_id> (2,215)
PTN000000072

>  <COMPOUND_NUMBER> (2,215)
WAY-604076

>  <LOCATION_CODE> (2,215)
PTNCS

>  <AMOUNT_CURRENT> (2,215)
32.6

$$$$
WAY-604095
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 18  3  1  0  0  0  0
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 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,216)
2218

>  <Formula> (2,216)
C15H17N3O3S

>  <MolWeight> (2,216)
319.37878

>  <PCAT_CMPD_ID> (2,216)
WAY-604095

>  <CNC_ID> (2,216)
359401930

>  <transfer_container_id> (2,216)
PTN000000072

>  <COMPOUND_NUMBER> (2,216)
WAY-604095

>  <LOCATION_CODE> (2,216)
PTNCS

>  <AMOUNT_CURRENT> (2,216)
32.6

$$$$
WAY-605800
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 18 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,217)
2219

>  <Formula> (2,217)
C15H14N2O

>  <MolWeight> (2,217)
238.28446

>  <PCAT_CMPD_ID> (2,217)
WAY-605800

>  <CNC_ID> (2,217)
359403636

>  <transfer_container_id> (2,217)
PTN000000072

>  <COMPOUND_NUMBER> (2,217)
WAY-605800

>  <LOCATION_CODE> (2,217)
PTNCS

>  <AMOUNT_CURRENT> (2,217)
32.8

$$$$
WAY-638490
csChFnd80/10101909502D

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 14  5  1  0  0  0  0
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 19 14  2  0  0  0  0
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M  END
>  <Mol_ID> (2,218)
2220

>  <Formula> (2,218)
C18H11N3O3

>  <MolWeight> (2,218)
317.29824

>  <PCAT_CMPD_ID> (2,218)
WAY-638490

>  <CNC_ID> (2,218)
359405468

>  <transfer_container_id> (2,218)
PTN000000072

>  <COMPOUND_NUMBER> (2,218)
WAY-638490

>  <LOCATION_CODE> (2,218)
PTNCS

>  <AMOUNT_CURRENT> (2,218)
32

$$$$
WAY-656281
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
M  END
>  <Mol_ID> (2,219)
2221

>  <Formula> (2,219)
C10H10N2O4

>  <MolWeight> (2,219)
222.1974

>  <PCAT_CMPD_ID> (2,219)
WAY-656281

>  <CNC_ID> (2,219)
359405996

>  <transfer_container_id> (2,219)
PTN000000072

>  <COMPOUND_NUMBER> (2,219)
WAY-656281

>  <LOCATION_CODE> (2,219)
PTNCS

>  <AMOUNT_CURRENT> (2,219)
32.9

$$$$
WAY-657395
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,220)
2222

>  <Formula> (2,220)
C11H9F3N4

>  <MolWeight> (2,220)
254.2111696

>  <PCAT_CMPD_ID> (2,220)
WAY-657395

>  <CNC_ID> (2,220)
359407108

>  <transfer_container_id> (2,220)
PTN000000072

>  <COMPOUND_NUMBER> (2,220)
WAY-657395

>  <LOCATION_CODE> (2,220)
PTNCS

>  <AMOUNT_CURRENT> (2,220)
32.2

$$$$
WAY-619382
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,221)
2223

>  <Formula> (2,221)
C22H23N3O5

>  <MolWeight> (2,221)
409.43512

>  <PCAT_CMPD_ID> (2,221)
WAY-619382

>  <CNC_ID> (2,221)
359416359

>  <transfer_container_id> (2,221)
PTN000000073

>  <COMPOUND_NUMBER> (2,221)
WAY-619382

>  <LOCATION_CODE> (2,221)
PTNCS

>  <AMOUNT_CURRENT> (2,221)
32.7

$$$$
WAY-639132-A
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,222)
2224

>  <Formula> (2,222)
C14H14Cl2N2O2S

>  <MolWeight> (2,222)
345.24416

>  <PCAT_CMPD_ID> (2,222)
WAY-639132-A

>  <CNC_ID> (2,222)
359417588

>  <transfer_container_id> (2,222)
PTN000000073

>  <COMPOUND_NUMBER> (2,222)
WAY-639132-A

>  <LOCATION_CODE> (2,222)
PTNCS

>  <AMOUNT_CURRENT> (2,222)
32.6

$$$$
WAY-659076
csChFnd80/10101909502D

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 11 19  1  0  0  0  0
 12  8  1  0  0  0  0
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,223)
2225

>  <Formula> (2,223)
C16H13N5O4

>  <MolWeight> (2,223)
339.30552

>  <PCAT_CMPD_ID> (2,223)
WAY-659076

>  <CNC_ID> (2,223)
359419129

>  <transfer_container_id> (2,223)
PTN000000073

>  <COMPOUND_NUMBER> (2,223)
WAY-659076

>  <LOCATION_CODE> (2,223)
PTNCS

>  <AMOUNT_CURRENT> (2,223)
32.8

$$$$
WAY-640653
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 18  8  1  0  0  0  0
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 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,224)
2226

>  <Formula> (2,224)
C16H17BrN2O4

>  <MolWeight> (2,224)
381.22118

>  <PCAT_CMPD_ID> (2,224)
WAY-640653

>  <CNC_ID> (2,224)
359430705

>  <transfer_container_id> (2,224)
PTN000000074

>  <COMPOUND_NUMBER> (2,224)
WAY-640653

>  <LOCATION_CODE> (2,224)
PTNCS

>  <AMOUNT_CURRENT> (2,224)
32.7

$$$$
WAY-313217
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,225)
2227

>  <Formula> (2,225)
C15H18N2O3

>  <MolWeight> (2,225)
274.31502

>  <PCAT_CMPD_ID> (2,225)
WAY-313217

>  <CNC_ID> (2,225)
359328253

>  <transfer_container_id> (2,225)
PTN000000067

>  <COMPOUND_NUMBER> (2,225)
WAY-313217

>  <LOCATION_CODE> (2,225)
PTNCS

>  <AMOUNT_CURRENT> (2,225)
33.2

$$$$
WAY-313276
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,226)
2228

>  <Formula> (2,226)
C20H25N3O5

>  <MolWeight> (2,226)
387.4296

>  <PCAT_CMPD_ID> (2,226)
WAY-313276

>  <CNC_ID> (2,226)
359328312

>  <transfer_container_id> (2,226)
PTN000000067

>  <COMPOUND_NUMBER> (2,226)
WAY-313276

>  <LOCATION_CODE> (2,226)
PTNCS

>  <AMOUNT_CURRENT> (2,226)
33.9

$$$$
WAY-313045
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,227)
2229

>  <Formula> (2,227)
C11H16N2O2

>  <MolWeight> (2,227)
208.25694

>  <PCAT_CMPD_ID> (2,227)
WAY-313045

>  <CNC_ID> (2,227)
359328082

>  <transfer_container_id> (2,227)
PTN000000067

>  <COMPOUND_NUMBER> (2,227)
WAY-313045

>  <LOCATION_CODE> (2,227)
PTNCS

>  <AMOUNT_CURRENT> (2,227)
33.8

$$$$
WAY-312694
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,228)
2230

>  <Formula> (2,228)
C17H16Cl2N2O2

>  <MolWeight> (2,228)
351.22714

>  <PCAT_CMPD_ID> (2,228)
WAY-312694

>  <CNC_ID> (2,228)
359327731

>  <transfer_container_id> (2,228)
PTN000000067

>  <COMPOUND_NUMBER> (2,228)
WAY-312694

>  <LOCATION_CODE> (2,228)
PTNCS

>  <AMOUNT_CURRENT> (2,228)
33.3

$$$$
WAY-313011-A
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,229)
2231

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>  <MolWeight> (2,229)
190.28472

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WAY-313011-A

>  <CNC_ID> (2,229)
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>  <transfer_container_id> (2,229)
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>  <COMPOUND_NUMBER> (2,229)
WAY-313011-A

>  <LOCATION_CODE> (2,229)
PTNCS

>  <AMOUNT_CURRENT> (2,229)
33.2

$$$$
WAY-312655
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,230)
2232

>  <Formula> (2,230)
C15H24N2O2S

>  <MolWeight> (2,230)
296.42826

>  <PCAT_CMPD_ID> (2,230)
WAY-312655

>  <CNC_ID> (2,230)
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>  <transfer_container_id> (2,230)
PTN000000067

>  <COMPOUND_NUMBER> (2,230)
WAY-312655

>  <LOCATION_CODE> (2,230)
PTNCS

>  <AMOUNT_CURRENT> (2,230)
33.3

$$$$
WAY-297491
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,231)
2233

>  <Formula> (2,231)
C18H18N2OS2

>  <MolWeight> (2,231)
342.47832

>  <PCAT_CMPD_ID> (2,231)
WAY-297491

>  <CNC_ID> (2,231)
359343935

>  <transfer_container_id> (2,231)
PTN000000068

>  <COMPOUND_NUMBER> (2,231)
WAY-297491

>  <LOCATION_CODE> (2,231)
PTNCS

>  <AMOUNT_CURRENT> (2,231)
33.4

$$$$
WAY-297496
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,232)
2234

>  <Formula> (2,232)
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>  <MolWeight> (2,232)
339.37018

>  <PCAT_CMPD_ID> (2,232)
WAY-297496

>  <CNC_ID> (2,232)
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>  <transfer_container_id> (2,232)
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>  <COMPOUND_NUMBER> (2,232)
WAY-297496

>  <LOCATION_CODE> (2,232)
PTNCS

>  <AMOUNT_CURRENT> (2,232)
33.2

$$$$
WAY-297500
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,233)
2235

>  <Formula> (2,233)
C12H17NO4

>  <MolWeight> (2,233)
239.26768

>  <PCAT_CMPD_ID> (2,233)
WAY-297500

>  <CNC_ID> (2,233)
359343944

>  <transfer_container_id> (2,233)
PTN000000068

>  <COMPOUND_NUMBER> (2,233)
WAY-297500

>  <LOCATION_CODE> (2,233)
PTNCS

>  <AMOUNT_CURRENT> (2,233)
33.1

$$$$
WAY-297804-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,234)
2236

>  <Formula> (2,234)
C23H29NO5

>  <MolWeight> (2,234)
399.48006

>  <PCAT_CMPD_ID> (2,234)
WAY-297804-A

>  <CNC_ID> (2,234)
359344248

>  <transfer_container_id> (2,234)
PTN000000068

>  <COMPOUND_NUMBER> (2,234)
WAY-297804-A

>  <LOCATION_CODE> (2,234)
PTNCS

>  <AMOUNT_CURRENT> (2,234)
33.1

$$$$
WAY-297811
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,235)
2237

>  <Formula> (2,235)
C19H23N3OS

>  <MolWeight> (2,235)
341.47042

>  <PCAT_CMPD_ID> (2,235)
WAY-297811

>  <CNC_ID> (2,235)
359344255

>  <transfer_container_id> (2,235)
PTN000000068

>  <COMPOUND_NUMBER> (2,235)
WAY-297811

>  <LOCATION_CODE> (2,235)
PTNCS

>  <AMOUNT_CURRENT> (2,235)
33.2

$$$$
WAY-297501
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,236)
2238

>  <Formula> (2,236)
C15H19NO

>  <MolWeight> (2,236)
229.31746

>  <PCAT_CMPD_ID> (2,236)
WAY-297501

>  <CNC_ID> (2,236)
359343945

>  <transfer_container_id> (2,236)
PTN000000068

>  <COMPOUND_NUMBER> (2,236)
WAY-297501

>  <LOCATION_CODE> (2,236)
PTNCS

>  <AMOUNT_CURRENT> (2,236)
33.5

$$$$
WAY-297511
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,237)
2239

>  <Formula> (2,237)
C13H13NO4

>  <MolWeight> (2,237)
247.24662

>  <PCAT_CMPD_ID> (2,237)
WAY-297511

>  <CNC_ID> (2,237)
359343955

>  <transfer_container_id> (2,237)
PTN000000068

>  <COMPOUND_NUMBER> (2,237)
WAY-297511

>  <LOCATION_CODE> (2,237)
PTNCS

>  <AMOUNT_CURRENT> (2,237)
33.3

$$$$
WAY-297515
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,238)
2240

>  <Formula> (2,238)
C20H13ClN2O5

>  <MolWeight> (2,238)
396.78062

>  <PCAT_CMPD_ID> (2,238)
WAY-297515

>  <CNC_ID> (2,238)
359343959

>  <transfer_container_id> (2,238)
PTN000000068

>  <COMPOUND_NUMBER> (2,238)
WAY-297515

>  <LOCATION_CODE> (2,238)
PTNCS

>  <AMOUNT_CURRENT> (2,238)
33.2

$$$$
WAY-297536
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,239)
2241

>  <Formula> (2,239)
C22H15NO2S

>  <MolWeight> (2,239)
357.425

>  <PCAT_CMPD_ID> (2,239)
WAY-297536

>  <CNC_ID> (2,239)
359343980

>  <transfer_container_id> (2,239)
PTN000000068

>  <COMPOUND_NUMBER> (2,239)
WAY-297536

>  <LOCATION_CODE> (2,239)
PTNCS

>  <AMOUNT_CURRENT> (2,239)
33.1

$$$$
WAY-297542
csChFnd80/10101909502D

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 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,240)
2242

>  <Formula> (2,240)
C17H10F3N3O2S

>  <MolWeight> (2,240)
377.3404096

>  <PCAT_CMPD_ID> (2,240)
WAY-297542

>  <CNC_ID> (2,240)
359343986

>  <transfer_container_id> (2,240)
PTN000000068

>  <COMPOUND_NUMBER> (2,240)
WAY-297542

>  <LOCATION_CODE> (2,240)
PTNCS

>  <AMOUNT_CURRENT> (2,240)
33.2

$$$$
WAY-297588
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,241)
2243

>  <Formula> (2,241)
C18H14ClN3O2

>  <MolWeight> (2,241)
339.77566

>  <PCAT_CMPD_ID> (2,241)
WAY-297588

>  <CNC_ID> (2,241)
359344032

>  <transfer_container_id> (2,241)
PTN000000068

>  <COMPOUND_NUMBER> (2,241)
WAY-297588

>  <LOCATION_CODE> (2,241)
PTNCS

>  <AMOUNT_CURRENT> (2,241)
33.3

$$$$
WAY-297635
csChFnd80/10101909502D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,242)
2244

>  <Formula> (2,242)
C14H16N2O2S

>  <MolWeight> (2,242)
276.35404

>  <PCAT_CMPD_ID> (2,242)
WAY-297635

>  <CNC_ID> (2,242)
359344079

>  <transfer_container_id> (2,242)
PTN000000068

>  <COMPOUND_NUMBER> (2,242)
WAY-297635

>  <LOCATION_CODE> (2,242)
PTNCS

>  <AMOUNT_CURRENT> (2,242)
33.4

$$$$
WAY-297642
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,243)
2245

>  <Formula> (2,243)
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>  <MolWeight> (2,243)
226.2307

>  <PCAT_CMPD_ID> (2,243)
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>  <CNC_ID> (2,243)
359344086

>  <transfer_container_id> (2,243)
PTN000000068

>  <COMPOUND_NUMBER> (2,243)
WAY-297642

>  <LOCATION_CODE> (2,243)
PTNCS

>  <AMOUNT_CURRENT> (2,243)
33.1

$$$$
WAY-297657
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,244)
2246

>  <Formula> (2,244)
C20H15N3O2S2

>  <MolWeight> (2,244)
393.482

>  <PCAT_CMPD_ID> (2,244)
WAY-297657

>  <CNC_ID> (2,244)
359344101

>  <transfer_container_id> (2,244)
PTN000000068

>  <COMPOUND_NUMBER> (2,244)
WAY-297657

>  <LOCATION_CODE> (2,244)
PTNCS

>  <AMOUNT_CURRENT> (2,244)
33.4

$$$$
WAY-297670
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (2,245)
2247

>  <Formula> (2,245)
C18H10Cl2F3N5O2

>  <MolWeight> (2,245)
456.2055096

>  <PCAT_CMPD_ID> (2,245)
WAY-297670

>  <CNC_ID> (2,245)
359344114

>  <transfer_container_id> (2,245)
PTN000000068

>  <COMPOUND_NUMBER> (2,245)
WAY-297670

>  <LOCATION_CODE> (2,245)
PTNCS

>  <AMOUNT_CURRENT> (2,245)
33.4

$$$$
WAY-297758-A
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,246)
2248

>  <Formula> (2,246)
C19H23NO2

>  <MolWeight> (2,246)
297.39142

>  <PCAT_CMPD_ID> (2,246)
WAY-297758-A

>  <CNC_ID> (2,246)
359344202

>  <transfer_container_id> (2,246)
PTN000000068

>  <COMPOUND_NUMBER> (2,246)
WAY-297758-A

>  <LOCATION_CODE> (2,246)
PTNCS

>  <AMOUNT_CURRENT> (2,246)
33.5

$$$$
WAY-297774-A
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,247)
2249

>  <Formula> (2,247)
C17H20N2O3

>  <MolWeight> (2,247)
300.3523

>  <PCAT_CMPD_ID> (2,247)
WAY-297774-A

>  <CNC_ID> (2,247)
359344218

>  <transfer_container_id> (2,247)
PTN000000068

>  <COMPOUND_NUMBER> (2,247)
WAY-297774-A

>  <LOCATION_CODE> (2,247)
PTNCS

>  <AMOUNT_CURRENT> (2,247)
33.5

$$$$
WAY-297775
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,248)
2250

>  <Formula> (2,248)
C12H10N2O2

>  <MolWeight> (2,248)
214.22

>  <PCAT_CMPD_ID> (2,248)
WAY-297775

>  <CNC_ID> (2,248)
359344219

>  <transfer_container_id> (2,248)
PTN000000068

>  <COMPOUND_NUMBER> (2,248)
WAY-297775

>  <LOCATION_CODE> (2,248)
PTNCS

>  <AMOUNT_CURRENT> (2,248)
33.2

$$$$
WAY-297778
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,249)
2251

>  <Formula> (2,249)
C16H10FN3O

>  <MolWeight> (2,249)
279.2685032

>  <PCAT_CMPD_ID> (2,249)
WAY-297778

>  <CNC_ID> (2,249)
359344222

>  <transfer_container_id> (2,249)
PTN000000068

>  <COMPOUND_NUMBER> (2,249)
WAY-297778

>  <LOCATION_CODE> (2,249)
PTNCS

>  <AMOUNT_CURRENT> (2,249)
33.2

$$$$
WAY-297825
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,250)
2252

>  <Formula> (2,250)
C21H17N3O2

>  <MolWeight> (2,250)
343.37858

>  <PCAT_CMPD_ID> (2,250)
WAY-297825

>  <CNC_ID> (2,250)
359344269

>  <transfer_container_id> (2,250)
PTN000000068

>  <COMPOUND_NUMBER> (2,250)
WAY-297825

>  <LOCATION_CODE> (2,250)
PTNCS

>  <AMOUNT_CURRENT> (2,250)
33.1

$$$$
WAY-297837
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,251)
2253

>  <Formula> (2,251)
C20H26N2O3S

>  <MolWeight> (2,251)
374.49704

>  <PCAT_CMPD_ID> (2,251)
WAY-297837

>  <CNC_ID> (2,251)
359344281

>  <transfer_container_id> (2,251)
PTN000000068

>  <COMPOUND_NUMBER> (2,251)
WAY-297837

>  <LOCATION_CODE> (2,251)
PTNCS

>  <AMOUNT_CURRENT> (2,251)
33.4

$$$$
WAY-297891-A
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,252)
2254

>  <Formula> (2,252)
C15H21NO4

>  <MolWeight> (2,252)
279.33154

>  <PCAT_CMPD_ID> (2,252)
WAY-297891-A

>  <CNC_ID> (2,252)
359344335

>  <transfer_container_id> (2,252)
PTN000000068

>  <COMPOUND_NUMBER> (2,252)
WAY-297891-A

>  <LOCATION_CODE> (2,252)
PTNCS

>  <AMOUNT_CURRENT> (2,252)
33.1

$$$$
WAY-297922
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,253)
2255

>  <Formula> (2,253)
C18H16N2O4S

>  <MolWeight> (2,253)
356.39564

>  <PCAT_CMPD_ID> (2,253)
WAY-297922

>  <CNC_ID> (2,253)
359344366

>  <transfer_container_id> (2,253)
PTN000000068

>  <COMPOUND_NUMBER> (2,253)
WAY-297922

>  <LOCATION_CODE> (2,253)
PTNCS

>  <AMOUNT_CURRENT> (2,253)
33.1

$$$$
WL-126559
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,254)
2256

>  <Formula> (2,254)
C15H11NO2

>  <MolWeight> (2,254)
237.25334

>  <PCAT_CMPD_ID> (2,254)
WL-126559

>  <CNC_ID> (2,254)
359353665

>  <transfer_container_id> (2,254)
PTN000000068

>  <COMPOUND_NUMBER> (2,254)
WL-126559

>  <LOCATION_CODE> (2,254)
PTNCS

>  <AMOUNT_CURRENT> (2,254)
33.2

$$$$
WL-181774
csChFnd80/10101909502D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  3  0  0  0  0
 16 18  3  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,255)
2257

>  <Formula> (2,255)
C12H9N3O3

>  <MolWeight> (2,255)
243.21816

>  <PCAT_CMPD_ID> (2,255)
WL-181774

>  <CNC_ID> (2,255)
359353679

>  <transfer_container_id> (2,255)
PTN000000068

>  <COMPOUND_NUMBER> (2,255)
WL-181774

>  <LOCATION_CODE> (2,255)
PTNCS

>  <AMOUNT_CURRENT> (2,255)
33.5

$$$$
WAY-299571
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 25 27  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,256)
2258

>  <Formula> (2,256)
C19H24N2O5S

>  <MolWeight> (2,256)
392.46926

>  <PCAT_CMPD_ID> (2,256)
WAY-299571

>  <CNC_ID> (2,256)
359370248

>  <transfer_container_id> (2,256)
PTN000000070

>  <COMPOUND_NUMBER> (2,256)
WAY-299571

>  <LOCATION_CODE> (2,256)
PTNCS

>  <AMOUNT_CURRENT> (2,256)
33.4

$$$$
WAY-300216
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,257)
2259

>  <Formula> (2,257)
C19H17NO2

>  <MolWeight> (2,257)
291.34378

>  <PCAT_CMPD_ID> (2,257)
WAY-300216

>  <CNC_ID> (2,257)
359370869

>  <transfer_container_id> (2,257)
PTN000000070

>  <COMPOUND_NUMBER> (2,257)
WAY-300216

>  <LOCATION_CODE> (2,257)
PTNCS

>  <AMOUNT_CURRENT> (2,257)
33.2

$$$$
WAY-301511
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,258)
2260

>  <Formula> (2,258)
C9H9N3O

>  <MolWeight> (2,258)
175.18726

>  <PCAT_CMPD_ID> (2,258)
WAY-301511

>  <CNC_ID> (2,258)
359371849

>  <transfer_container_id> (2,258)
PTN000000070

>  <COMPOUND_NUMBER> (2,258)
WAY-301511

>  <LOCATION_CODE> (2,258)
PTNCS

>  <AMOUNT_CURRENT> (2,258)
33.3

$$$$
WAY-388406
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,259)
2261

>  <Formula> (2,259)
C15H21N5O2

>  <MolWeight> (2,259)
303.35954

>  <PCAT_CMPD_ID> (2,259)
WAY-388406

>  <CNC_ID> (2,259)
359372546

>  <transfer_container_id> (2,259)
PTN000000070

>  <COMPOUND_NUMBER> (2,259)
WAY-388406

>  <LOCATION_CODE> (2,259)
PTNCS

>  <AMOUNT_CURRENT> (2,259)
33

$$$$
WAY-388429
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  2  0  0  0  0
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 15 14  2  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18 14  1  0  0  0  0
 19  7  1  0  0  0  0
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 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 15 10  1  0  0  0  0
  9  5  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,260)
2262

>  <Formula> (2,260)
C18H22N2O2S

>  <MolWeight> (2,260)
330.44448

>  <PCAT_CMPD_ID> (2,260)
WAY-388429

>  <CNC_ID> (2,260)
359372569

>  <transfer_container_id> (2,260)
PTN000000070

>  <COMPOUND_NUMBER> (2,260)
WAY-388429

>  <LOCATION_CODE> (2,260)
PTNCS

>  <AMOUNT_CURRENT> (2,260)
32.5

$$$$
WAY-389097
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 10  3  1  0  0  0  0
 11 15  1  0  0  0  0
 12  9  2  0  0  0  0
 13 11  2  0  0  0  0
 14  9  1  0  0  0  0
 15 25  1  0  0  0  0
 16 10  1  0  0  0  0
 17 21  2  0  0  0  0
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 20  8  1  0  0  0  0
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 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,261)
2263

>  <Formula> (2,261)
C19H22N4O2S

>  <MolWeight> (2,261)
370.46858

>  <PCAT_CMPD_ID> (2,261)
WAY-389097

>  <CNC_ID> (2,261)
359373230

>  <transfer_container_id> (2,261)
PTN000000070

>  <COMPOUND_NUMBER> (2,261)
WAY-389097

>  <LOCATION_CODE> (2,261)
PTNCS

>  <AMOUNT_CURRENT> (2,261)
32.9

$$$$
WAY-216418
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  2  2  0  0  0  0
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 17  4  1  0  0  0  0
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 20  9  1  0  0  0  0
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  6  7  2  0  0  0  0
 22 21  1  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,262)
2264

>  <Formula> (2,262)
C16H19N3O3

>  <MolWeight> (2,262)
301.34036

>  <PCAT_CMPD_ID> (2,262)
WAY-216418

>  <CNC_ID> (2,262)
359380730

>  <transfer_container_id> (2,262)
PTN000000071

>  <COMPOUND_NUMBER> (2,262)
WAY-216418

>  <LOCATION_CODE> (2,262)
PTNCS

>  <AMOUNT_CURRENT> (2,262)
33.2

$$$$
WAY-226713
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,263)
2265

>  <Formula> (2,263)
C11H8Cl2N4O3

>  <MolWeight> (2,263)
315.11222

>  <PCAT_CMPD_ID> (2,263)
WAY-226713

>  <CNC_ID> (2,263)
359380788

>  <transfer_container_id> (2,263)
PTN000000071

>  <COMPOUND_NUMBER> (2,263)
WAY-226713

>  <LOCATION_CODE> (2,263)
PTNCS

>  <AMOUNT_CURRENT> (2,263)
33.1

$$$$
WAY-229367
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,264)
2266

>  <Formula> (2,264)
C17H18N2O2

>  <MolWeight> (2,264)
282.33702

>  <PCAT_CMPD_ID> (2,264)
WAY-229367

>  <CNC_ID> (2,264)
359380795

>  <transfer_container_id> (2,264)
PTN000000071

>  <COMPOUND_NUMBER> (2,264)
WAY-229367

>  <LOCATION_CODE> (2,264)
PTNCS

>  <AMOUNT_CURRENT> (2,264)
33.1

$$$$
WAY-302448
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,265)
2267

>  <Formula> (2,265)
C14H14N2O4

>  <MolWeight> (2,265)
274.27196

>  <PCAT_CMPD_ID> (2,265)
WAY-302448

>  <CNC_ID> (2,265)
359383434

>  <transfer_container_id> (2,265)
PTN000000071

>  <COMPOUND_NUMBER> (2,265)
WAY-302448

>  <LOCATION_CODE> (2,265)
PTNCS

>  <AMOUNT_CURRENT> (2,265)
33.1

$$$$
WAY-302608
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,266)
2268

>  <Formula> (2,266)
C17H15F3N4O3

>  <MolWeight> (2,266)
380.3212096

>  <PCAT_CMPD_ID> (2,266)
WAY-302608

>  <CNC_ID> (2,266)
359383594

>  <transfer_container_id> (2,266)
PTN000000071

>  <COMPOUND_NUMBER> (2,266)
WAY-302608

>  <LOCATION_CODE> (2,266)
PTNCS

>  <AMOUNT_CURRENT> (2,266)
33.2

$$$$
WAY-302623
csChFnd80/10101909502D

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 14 17  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,267)
2269

>  <Formula> (2,267)
C16H12N4OS2

>  <MolWeight> (2,267)
340.42268

>  <PCAT_CMPD_ID> (2,267)
WAY-302623

>  <CNC_ID> (2,267)
359383609

>  <transfer_container_id> (2,267)
PTN000000071

>  <COMPOUND_NUMBER> (2,267)
WAY-302623

>  <LOCATION_CODE> (2,267)
PTNCS

>  <AMOUNT_CURRENT> (2,267)
33.1

$$$$
WAY-302695
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,268)
2270

>  <Formula> (2,268)
C22H22N2O3S2

>  <MolWeight> (2,268)
426.55168

>  <PCAT_CMPD_ID> (2,268)
WAY-302695

>  <CNC_ID> (2,268)
359383681

>  <transfer_container_id> (2,268)
PTN000000071

>  <COMPOUND_NUMBER> (2,268)
WAY-302695

>  <LOCATION_CODE> (2,268)
PTNCS

>  <AMOUNT_CURRENT> (2,268)
33.4

$$$$
WAY-302729
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,269)
2271

>  <Formula> (2,269)
C24H18FN3O3

>  <MolWeight> (2,269)
415.4164232

>  <PCAT_CMPD_ID> (2,269)
WAY-302729

>  <CNC_ID> (2,269)
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>  <transfer_container_id> (2,269)
PTN000000071

>  <COMPOUND_NUMBER> (2,269)
WAY-302729

>  <LOCATION_CODE> (2,269)
PTNCS

>  <AMOUNT_CURRENT> (2,269)
33.1

$$$$
WAY-302733
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,270)
2272

>  <Formula> (2,270)
C12H15N5O5

>  <MolWeight> (2,270)
309.278

>  <PCAT_CMPD_ID> (2,270)
WAY-302733

>  <CNC_ID> (2,270)
359383719

>  <transfer_container_id> (2,270)
PTN000000071

>  <COMPOUND_NUMBER> (2,270)
WAY-302733

>  <LOCATION_CODE> (2,270)
PTNCS

>  <AMOUNT_CURRENT> (2,270)
33.3

$$$$
WAY-644338
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 17  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,271)
2273

>  <Formula> (2,271)
C13H12N2O5

>  <MolWeight> (2,271)
276.24478

>  <PCAT_CMPD_ID> (2,271)
WAY-644338

>  <CNC_ID> (2,271)
359337010

>  <transfer_container_id> (2,271)
PTN000000067

>  <COMPOUND_NUMBER> (2,271)
WAY-644338

>  <LOCATION_CODE> (2,271)
PTNCS

>  <AMOUNT_CURRENT> (2,271)
32.7

$$$$
WAY-644426
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,272)
2274

>  <Formula> (2,272)
C15H9ClN4S

>  <MolWeight> (2,272)
312.77676

>  <PCAT_CMPD_ID> (2,272)
WAY-644426

>  <CNC_ID> (2,272)
359337098

>  <transfer_container_id> (2,272)
PTN000000067

>  <COMPOUND_NUMBER> (2,272)
WAY-644426

>  <LOCATION_CODE> (2,272)
PTNCS

>  <AMOUNT_CURRENT> (2,272)
32.8

$$$$
WAY-644443
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,273)
2275

>  <Formula> (2,273)
C17H15N3O5

>  <MolWeight> (2,273)
341.3181

>  <PCAT_CMPD_ID> (2,273)
WAY-644443

>  <CNC_ID> (2,273)
359337115

>  <transfer_container_id> (2,273)
PTN000000067

>  <COMPOUND_NUMBER> (2,273)
WAY-644443

>  <LOCATION_CODE> (2,273)
PTNCS

>  <AMOUNT_CURRENT> (2,273)
32.5

$$$$
WAY-644445
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,274)
2276

>  <Formula> (2,274)
C16H14N2O3

>  <MolWeight> (2,274)
282.29396

>  <PCAT_CMPD_ID> (2,274)
WAY-644445

>  <CNC_ID> (2,274)
359337117

>  <transfer_container_id> (2,274)
PTN000000067

>  <COMPOUND_NUMBER> (2,274)
WAY-644445

>  <LOCATION_CODE> (2,274)
PTNCS

>  <AMOUNT_CURRENT> (2,274)
32.7

$$$$
WAY-644472
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,275)
2277

>  <Formula> (2,275)
C17H16N2O3S

>  <MolWeight> (2,275)
328.38554

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WAY-644472

>  <CNC_ID> (2,275)
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>  <transfer_container_id> (2,275)
PTN000000067

>  <COMPOUND_NUMBER> (2,275)
WAY-644472

>  <LOCATION_CODE> (2,275)
PTNCS

>  <AMOUNT_CURRENT> (2,275)
32.4

$$$$
WAY-644478
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,276)
2278

>  <Formula> (2,276)
C17H15NO3S

>  <MolWeight> (2,276)
313.3709

>  <PCAT_CMPD_ID> (2,276)
WAY-644478

>  <CNC_ID> (2,276)
359337150

>  <transfer_container_id> (2,276)
PTN000000067

>  <COMPOUND_NUMBER> (2,276)
WAY-644478

>  <LOCATION_CODE> (2,276)
PTNCS

>  <AMOUNT_CURRENT> (2,276)
32.5

$$$$
WAY-644486
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,277)
2279

>  <Formula> (2,277)
C16H15Cl2NO3

>  <MolWeight> (2,277)
340.2012

>  <PCAT_CMPD_ID> (2,277)
WAY-644486

>  <CNC_ID> (2,277)
359337158

>  <transfer_container_id> (2,277)
PTN000000067

>  <COMPOUND_NUMBER> (2,277)
WAY-644486

>  <LOCATION_CODE> (2,277)
PTNCS

>  <AMOUNT_CURRENT> (2,277)
32.4

$$$$
WAY-645649
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,278)
2280

>  <Formula> (2,278)
C13H13Cl2N3O3

>  <MolWeight> (2,278)
330.16662

>  <PCAT_CMPD_ID> (2,278)
WAY-645649

>  <CNC_ID> (2,278)
359338321

>  <transfer_container_id> (2,278)
PTN000000067

>  <COMPOUND_NUMBER> (2,278)
WAY-645649

>  <LOCATION_CODE> (2,278)
PTNCS

>  <AMOUNT_CURRENT> (2,278)
32.5

$$$$
WAY-645712
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,279)
2281

>  <Formula> (2,279)
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>  <MolWeight> (2,279)
412.7982632

>  <PCAT_CMPD_ID> (2,279)
WAY-645712

>  <CNC_ID> (2,279)
359338384

>  <transfer_container_id> (2,279)
PTN000000067

>  <COMPOUND_NUMBER> (2,279)
WAY-645712

>  <LOCATION_CODE> (2,279)
PTNCS

>  <AMOUNT_CURRENT> (2,279)
32.6

$$$$
WAY-646137
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,280)
2282

>  <Formula> (2,280)
C15H15ClN4O2

>  <MolWeight> (2,280)
318.7582

>  <PCAT_CMPD_ID> (2,280)
WAY-646137

>  <CNC_ID> (2,280)
359338810

>  <transfer_container_id> (2,280)
PTN000000067

>  <COMPOUND_NUMBER> (2,280)
WAY-646137

>  <LOCATION_CODE> (2,280)
PTNCS

>  <AMOUNT_CURRENT> (2,280)
32.4

$$$$
WAY-646555
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,281)
2283

>  <Formula> (2,281)
C20H19N3O4

>  <MolWeight> (2,281)
365.38256

>  <PCAT_CMPD_ID> (2,281)
WAY-646555

>  <CNC_ID> (2,281)
359339228

>  <transfer_container_id> (2,281)
PTN000000067

>  <COMPOUND_NUMBER> (2,281)
WAY-646555

>  <LOCATION_CODE> (2,281)
PTNCS

>  <AMOUNT_CURRENT> (2,281)
32.1

$$$$
WAY-646578
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,282)
2284

>  <Formula> (2,282)
C9H8N4O2S

>  <MolWeight> (2,282)
236.25042

>  <PCAT_CMPD_ID> (2,282)
WAY-646578

>  <CNC_ID> (2,282)
359339251

>  <transfer_container_id> (2,282)
PTN000000067

>  <COMPOUND_NUMBER> (2,282)
WAY-646578

>  <LOCATION_CODE> (2,282)
PTNCS

>  <AMOUNT_CURRENT> (2,282)
32.3

$$$$
WAY-647072
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,283)
2285

>  <Formula> (2,283)
C22H30ClN3O3

>  <MolWeight> (2,283)
419.9449

>  <PCAT_CMPD_ID> (2,283)
WAY-647072

>  <CNC_ID> (2,283)
359339745

>  <transfer_container_id> (2,283)
PTN000000067

>  <COMPOUND_NUMBER> (2,283)
WAY-647072

>  <LOCATION_CODE> (2,283)
PTNCS

>  <AMOUNT_CURRENT> (2,283)
32.2

$$$$
CL-21041
csChFnd80/10101909502D

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>  <Mol_ID> (2,284)
2286

>  <Formula> (2,284)
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>  <MolWeight> (2,284)
160.21238

>  <PCAT_CMPD_ID> (2,284)
CL-21041

>  <CNC_ID> (2,284)
359339843

>  <transfer_container_id> (2,284)
PTN000000068

>  <COMPOUND_NUMBER> (2,284)
CL-21041

>  <LOCATION_CODE> (2,284)
PTNCS

>  <AMOUNT_CURRENT> (2,284)
32.7

$$$$
WAY-232982
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,285)
2287

>  <Formula> (2,285)
C21H20N2O2

>  <MolWeight> (2,285)
332.3957

>  <PCAT_CMPD_ID> (2,285)
WAY-232982

>  <CNC_ID> (2,285)
359340248

>  <transfer_container_id> (2,285)
PTN000000068

>  <COMPOUND_NUMBER> (2,285)
WAY-232982

>  <LOCATION_CODE> (2,285)
PTNCS

>  <AMOUNT_CURRENT> (2,285)
32.5

$$$$
WAY-273293
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,286)
2288

>  <Formula> (2,286)
C19H18N2O3S

>  <MolWeight> (2,286)
354.42282

>  <PCAT_CMPD_ID> (2,286)
WAY-273293

>  <CNC_ID> (2,286)
359340562

>  <transfer_container_id> (2,286)
PTN000000068

>  <COMPOUND_NUMBER> (2,286)
WAY-273293

>  <LOCATION_CODE> (2,286)
PTNCS

>  <AMOUNT_CURRENT> (2,286)
32.5

$$$$
WAY-274009
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,287)
2289

>  <Formula> (2,287)
C17H14N2O4S2

>  <MolWeight> (2,287)
374.43406

>  <PCAT_CMPD_ID> (2,287)
WAY-274009

>  <CNC_ID> (2,287)
359341273

>  <transfer_container_id> (2,287)
PTN000000068

>  <COMPOUND_NUMBER> (2,287)
WAY-274009

>  <LOCATION_CODE> (2,287)
PTNCS

>  <AMOUNT_CURRENT> (2,287)
32.5

$$$$
WAY-277100
csChFnd80/10101909502D

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 14 22  1  0  0  0  0
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M  END
>  <Mol_ID> (2,288)
2290

>  <Formula> (2,288)
C18H17N3O2S

>  <MolWeight> (2,288)
339.41148

>  <PCAT_CMPD_ID> (2,288)
WAY-277100

>  <CNC_ID> (2,288)
359341647

>  <transfer_container_id> (2,288)
PTN000000068

>  <COMPOUND_NUMBER> (2,288)
WAY-277100

>  <LOCATION_CODE> (2,288)
PTNCS

>  <AMOUNT_CURRENT> (2,288)
32.5

$$$$
WAY-277121
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,289)
2291

>  <Formula> (2,289)
C14H14ClNO3S2

>  <MolWeight> (2,289)
343.84886

>  <PCAT_CMPD_ID> (2,289)
WAY-277121

>  <CNC_ID> (2,289)
359341668

>  <transfer_container_id> (2,289)
PTN000000068

>  <COMPOUND_NUMBER> (2,289)
WAY-277121

>  <LOCATION_CODE> (2,289)
PTNCS

>  <AMOUNT_CURRENT> (2,289)
32.5

$$$$
WAY-277358
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,290)
2292

>  <Formula> (2,290)
C22H22N4O2

>  <MolWeight> (2,290)
374.43568

>  <PCAT_CMPD_ID> (2,290)
WAY-277358

>  <CNC_ID> (2,290)
359341903

>  <transfer_container_id> (2,290)
PTN000000068

>  <COMPOUND_NUMBER> (2,290)
WAY-277358

>  <LOCATION_CODE> (2,290)
PTNCS

>  <AMOUNT_CURRENT> (2,290)
32.5

$$$$
WAY-277935
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  8  1  0  0  0  0
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 13  3  2  0  0  0  0
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 20  9  1  0  0  0  0
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 23 20  1  0  0  0  0
  7  6  1  0  0  0  0
  5 19  1  0  0  0  0
 12 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,291)
2293

>  <Formula> (2,291)
C19H20BrNO2

>  <MolWeight> (2,291)
374.2716

>  <PCAT_CMPD_ID> (2,291)
WAY-277935

>  <CNC_ID> (2,291)
359342480

>  <transfer_container_id> (2,291)
PTN000000068

>  <COMPOUND_NUMBER> (2,291)
WAY-277935

>  <LOCATION_CODE> (2,291)
PTNCS

>  <AMOUNT_CURRENT> (2,291)
32.5

$$$$
WAY-278208
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
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 14  2  1  0  0  0  0
 15  9  2  0  0  0  0
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 18  7  2  0  0  0  0
 19  8  2  0  0  0  0
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 23 12  2  0  0  0  0
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 11  7  1  0  0  0  0
 16 13  2  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,292)
2294

>  <Formula> (2,292)
C16H11BrClN3O3S

>  <MolWeight> (2,292)
440.69884

>  <PCAT_CMPD_ID> (2,292)
WAY-278208

>  <CNC_ID> (2,292)
359342753

>  <transfer_container_id> (2,292)
PTN000000068

>  <COMPOUND_NUMBER> (2,292)
WAY-278208

>  <LOCATION_CODE> (2,292)
PTNCS

>  <AMOUNT_CURRENT> (2,292)
32.5

$$$$
WAY-359087
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,293)
2295

>  <Formula> (2,293)
C12H12N2O

>  <MolWeight> (2,293)
200.23648

>  <PCAT_CMPD_ID> (2,293)
WAY-359087

>  <CNC_ID> (2,293)
359347236

>  <transfer_container_id> (2,293)
PTN000000068

>  <COMPOUND_NUMBER> (2,293)
WAY-359087

>  <LOCATION_CODE> (2,293)
PTNCS

>  <AMOUNT_CURRENT> (2,293)
32.9

$$$$
WAY-611571
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,294)
2296

>  <Formula> (2,294)
C15H12N2O2

>  <MolWeight> (2,294)
252.26798

>  <PCAT_CMPD_ID> (2,294)
WAY-611571

>  <CNC_ID> (2,294)
359347472

>  <transfer_container_id> (2,294)
PTN000000068

>  <COMPOUND_NUMBER> (2,294)
WAY-611571

>  <LOCATION_CODE> (2,294)
PTNCS

>  <AMOUNT_CURRENT> (2,294)
32.4

$$$$
WAY-612232
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 16  9  2  0  0  0  0
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M  END
>  <Mol_ID> (2,295)
2297

>  <Formula> (2,295)
C12H8N2O2

>  <MolWeight> (2,295)
212.20412

>  <PCAT_CMPD_ID> (2,295)
WAY-612232

>  <CNC_ID> (2,295)
359348134

>  <transfer_container_id> (2,295)
PTN000000068

>  <COMPOUND_NUMBER> (2,295)
WAY-612232

>  <LOCATION_CODE> (2,295)
PTNCS

>  <AMOUNT_CURRENT> (2,295)
32.7

$$$$
WAY-612273
csChFnd80/10101909502D

 11 12  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,296)
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C8H7NS2

>  <MolWeight> (2,296)
181.27788

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>  <CNC_ID> (2,296)
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>  <transfer_container_id> (2,296)
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>  <COMPOUND_NUMBER> (2,296)
WAY-612273

>  <LOCATION_CODE> (2,296)
PTNCS

>  <AMOUNT_CURRENT> (2,296)
32.3

$$$$
WAY-612275
csChFnd80/10101909502D

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PTN000000068

>  <COMPOUND_NUMBER> (2,297)
WAY-612275

>  <LOCATION_CODE> (2,297)
PTNCS

>  <AMOUNT_CURRENT> (2,297)
32.8

$$$$
WAY-612291
csChFnd80/10101909502D

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>  <CNC_ID> (2,298)
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>  <transfer_container_id> (2,298)
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>  <COMPOUND_NUMBER> (2,298)
WAY-612291

>  <LOCATION_CODE> (2,298)
PTNCS

>  <AMOUNT_CURRENT> (2,298)
32.9

$$$$
WAY-612320-A
csChFnd80/10101909502D

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>  <transfer_container_id> (2,299)
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WAY-612320-A

>  <LOCATION_CODE> (2,299)
PTNCS

>  <AMOUNT_CURRENT> (2,299)
32.9

$$$$
WAY-612633
csChFnd80/10101909502D

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>  <LOCATION_CODE> (2,300)
PTNCS

>  <AMOUNT_CURRENT> (2,300)
32.5

$$$$
WAY-628113-A
csChFnd80/10101909502D

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>  <MolWeight> (2,301)
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>  <PCAT_CMPD_ID> (2,301)
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>  <CNC_ID> (2,301)
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>  <transfer_container_id> (2,301)
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>  <COMPOUND_NUMBER> (2,301)
WAY-628113-A

>  <LOCATION_CODE> (2,301)
PTNCS

>  <AMOUNT_CURRENT> (2,301)
32.6

$$$$
WAY-628372
csChFnd80/10101909502D

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 11  9  2  0  0  0  0
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  3  5  2  0  0  0  0
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M  END
>  <Mol_ID> (2,302)
2304

>  <Formula> (2,302)
C15H20N2O

>  <MolWeight> (2,302)
244.3321

>  <PCAT_CMPD_ID> (2,302)
WAY-628372

>  <CNC_ID> (2,302)
359349522

>  <transfer_container_id> (2,302)
PTN000000068

>  <COMPOUND_NUMBER> (2,302)
WAY-628372

>  <LOCATION_CODE> (2,302)
PTNCS

>  <AMOUNT_CURRENT> (2,302)
32.8

$$$$
WAY-628404
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
 17 11  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,303)
2305

>  <Formula> (2,303)
C17H15N3O2

>  <MolWeight> (2,303)
293.3199

>  <PCAT_CMPD_ID> (2,303)
WAY-628404

>  <CNC_ID> (2,303)
359349555

>  <transfer_container_id> (2,303)
PTN000000068

>  <COMPOUND_NUMBER> (2,303)
WAY-628404

>  <LOCATION_CODE> (2,303)
PTNCS

>  <AMOUNT_CURRENT> (2,303)
32.8

$$$$
WAY-628639
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,304)
2306

>  <Formula> (2,304)
C12H11N3O4

>  <MolWeight> (2,304)
261.23344

>  <PCAT_CMPD_ID> (2,304)
WAY-628639

>  <CNC_ID> (2,304)
359349790

>  <transfer_container_id> (2,304)
PTN000000068

>  <COMPOUND_NUMBER> (2,304)
WAY-628639

>  <LOCATION_CODE> (2,304)
PTNCS

>  <AMOUNT_CURRENT> (2,304)
32.5

$$$$
WAY-628861
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,305)
2307

>  <Formula> (2,305)
C15H14F3NO2

>  <MolWeight> (2,305)
297.2723696

>  <PCAT_CMPD_ID> (2,305)
WAY-628861

>  <CNC_ID> (2,305)
359350012

>  <transfer_container_id> (2,305)
PTN000000068

>  <COMPOUND_NUMBER> (2,305)
WAY-628861

>  <LOCATION_CODE> (2,305)
PTNCS

>  <AMOUNT_CURRENT> (2,305)
32.1

$$$$
WAY-629047
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
 12 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,306)
2308

>  <Formula> (2,306)
C16H15N3O3S

>  <MolWeight> (2,306)
329.3736

>  <PCAT_CMPD_ID> (2,306)
WAY-629047

>  <CNC_ID> (2,306)
359350197

>  <transfer_container_id> (2,306)
PTN000000068

>  <COMPOUND_NUMBER> (2,306)
WAY-629047

>  <LOCATION_CODE> (2,306)
PTNCS

>  <AMOUNT_CURRENT> (2,306)
32.1

$$$$
WAY-629054
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (2,307)
2309

>  <Formula> (2,307)
C19H16N2O

>  <MolWeight> (2,307)
288.34314

>  <PCAT_CMPD_ID> (2,307)
WAY-629054

>  <CNC_ID> (2,307)
359350204

>  <transfer_container_id> (2,307)
PTN000000068

>  <COMPOUND_NUMBER> (2,307)
WAY-629054

>  <LOCATION_CODE> (2,307)
PTNCS

>  <AMOUNT_CURRENT> (2,307)
32.9

$$$$
WAY-629074
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,308)
2310

>  <Formula> (2,308)
C21H25N3O3

>  <MolWeight> (2,308)
367.4415

>  <PCAT_CMPD_ID> (2,308)
WAY-629074

>  <CNC_ID> (2,308)
359350224

>  <transfer_container_id> (2,308)
PTN000000068

>  <COMPOUND_NUMBER> (2,308)
WAY-629074

>  <LOCATION_CODE> (2,308)
PTNCS

>  <AMOUNT_CURRENT> (2,308)
32.7

$$$$
WAY-629186
csChFnd80/10101909502D

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 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  2  0  0  0  0
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 17  1  1  0  0  0  0
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 15 11  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,309)
2311

>  <Formula> (2,309)
C17H16N2O3S

>  <MolWeight> (2,309)
328.38554

>  <PCAT_CMPD_ID> (2,309)
WAY-629186

>  <CNC_ID> (2,309)
359350336

>  <transfer_container_id> (2,309)
PTN000000068

>  <COMPOUND_NUMBER> (2,309)
WAY-629186

>  <LOCATION_CODE> (2,309)
PTNCS

>  <AMOUNT_CURRENT> (2,309)
32.7

$$$$
WAY-629217
csChFnd80/10101909502D

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 23  2  1  0  0  0  0
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 10  5  2  0  0  0  0
M  END
>  <Mol_ID> (2,310)
2312

>  <Formula> (2,310)
C17H17N3O3S

>  <MolWeight> (2,310)
343.40018

>  <PCAT_CMPD_ID> (2,310)
WAY-629217

>  <CNC_ID> (2,310)
359350367

>  <transfer_container_id> (2,310)
PTN000000068

>  <COMPOUND_NUMBER> (2,310)
WAY-629217

>  <LOCATION_CODE> (2,310)
PTNCS

>  <AMOUNT_CURRENT> (2,310)
32.4

$$$$
WAY-629315
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
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 13  4  1  0  0  0  0
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M  END
>  <Mol_ID> (2,311)
2313

>  <Formula> (2,311)
C17H27NO

>  <MolWeight> (2,311)
261.40238

>  <PCAT_CMPD_ID> (2,311)
WAY-629315

>  <CNC_ID> (2,311)
359350465

>  <transfer_container_id> (2,311)
PTN000000068

>  <COMPOUND_NUMBER> (2,311)
WAY-629315

>  <LOCATION_CODE> (2,311)
PTNCS

>  <AMOUNT_CURRENT> (2,311)
32.7

$$$$
WAY-629350
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,312)
2314

>  <Formula> (2,312)
C12H13NO3S

>  <MolWeight> (2,312)
251.30152

>  <PCAT_CMPD_ID> (2,312)
WAY-629350

>  <CNC_ID> (2,312)
359350500

>  <transfer_container_id> (2,312)
PTN000000068

>  <COMPOUND_NUMBER> (2,312)
WAY-629350

>  <LOCATION_CODE> (2,312)
PTNCS

>  <AMOUNT_CURRENT> (2,312)
32.6

$$$$
WAY-629351
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,313)
2315

>  <Formula> (2,313)
C18H22N2O5S

>  <MolWeight> (2,313)
378.44268

>  <PCAT_CMPD_ID> (2,313)
WAY-629351

>  <CNC_ID> (2,313)
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>  <transfer_container_id> (2,313)
PTN000000068

>  <COMPOUND_NUMBER> (2,313)
WAY-629351

>  <LOCATION_CODE> (2,313)
PTNCS

>  <AMOUNT_CURRENT> (2,313)
32.9

$$$$
WAY-629361-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,314)
2316

>  <Formula> (2,314)
C17H17N3O2

>  <MolWeight> (2,314)
295.33578

>  <PCAT_CMPD_ID> (2,314)
WAY-629361-A

>  <CNC_ID> (2,314)
359350511

>  <transfer_container_id> (2,314)
PTN000000068

>  <COMPOUND_NUMBER> (2,314)
WAY-629361-A

>  <LOCATION_CODE> (2,314)
PTNCS

>  <AMOUNT_CURRENT> (2,314)
32.6

$$$$
WAY-629378
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,315)
2317

>  <Formula> (2,315)
C13H12BrNO4S

>  <MolWeight> (2,315)
358.20768

>  <PCAT_CMPD_ID> (2,315)
WAY-629378

>  <CNC_ID> (2,315)
359350528

>  <transfer_container_id> (2,315)
PTN000000068

>  <COMPOUND_NUMBER> (2,315)
WAY-629378

>  <LOCATION_CODE> (2,315)
PTNCS

>  <AMOUNT_CURRENT> (2,315)
32.3

$$$$
WAY-629446
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,316)
2318

>  <Formula> (2,316)
C19H14N4O2

>  <MolWeight> (2,316)
330.34006

>  <PCAT_CMPD_ID> (2,316)
WAY-629446

>  <CNC_ID> (2,316)
359350596

>  <transfer_container_id> (2,316)
PTN000000068

>  <COMPOUND_NUMBER> (2,316)
WAY-629446

>  <LOCATION_CODE> (2,316)
PTNCS

>  <AMOUNT_CURRENT> (2,316)
32.5

$$$$
WAY-629746
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,317)
2319

>  <Formula> (2,317)
C20H23NO2

>  <MolWeight> (2,317)
309.40212

>  <PCAT_CMPD_ID> (2,317)
WAY-629746

>  <CNC_ID> (2,317)
359350896

>  <transfer_container_id> (2,317)
PTN000000068

>  <COMPOUND_NUMBER> (2,317)
WAY-629746

>  <LOCATION_CODE> (2,317)
PTNCS

>  <AMOUNT_CURRENT> (2,317)
32.6

$$$$
WAY-629750
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,318)
2320

>  <Formula> (2,318)
C18H20N4O2

>  <MolWeight> (2,318)
324.377

>  <PCAT_CMPD_ID> (2,318)
WAY-629750

>  <CNC_ID> (2,318)
359350900

>  <transfer_container_id> (2,318)
PTN000000068

>  <COMPOUND_NUMBER> (2,318)
WAY-629750

>  <LOCATION_CODE> (2,318)
PTNCS

>  <AMOUNT_CURRENT> (2,318)
32.3

$$$$
WAY-629862
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,319)
2321

>  <Formula> (2,319)
C18H16N4O2S

>  <MolWeight> (2,319)
352.41024

>  <PCAT_CMPD_ID> (2,319)
WAY-629862

>  <CNC_ID> (2,319)
359351012

>  <transfer_container_id> (2,319)
PTN000000068

>  <COMPOUND_NUMBER> (2,319)
WAY-629862

>  <LOCATION_CODE> (2,319)
PTNCS

>  <AMOUNT_CURRENT> (2,319)
32.5

$$$$
WAY-630071
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,320)
2322

>  <Formula> (2,320)
C14H12N4O2

>  <MolWeight> (2,320)
268.27068

>  <PCAT_CMPD_ID> (2,320)
WAY-630071

>  <CNC_ID> (2,320)
359351221

>  <transfer_container_id> (2,320)
PTN000000068

>  <COMPOUND_NUMBER> (2,320)
WAY-630071

>  <LOCATION_CODE> (2,320)
PTNCS

>  <AMOUNT_CURRENT> (2,320)
32.7

$$$$
WAY-630101
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,321)
2323

>  <Formula> (2,321)
C17H21Cl2NO3S

>  <MolWeight> (2,321)
390.32454

>  <PCAT_CMPD_ID> (2,321)
WAY-630101

>  <CNC_ID> (2,321)
359351251

>  <transfer_container_id> (2,321)
PTN000000068

>  <COMPOUND_NUMBER> (2,321)
WAY-630101

>  <LOCATION_CODE> (2,321)
PTNCS

>  <AMOUNT_CURRENT> (2,321)
32.1

$$$$
WAY-647173
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,322)
2324

>  <Formula> (2,322)
C15H15N3O2

>  <MolWeight> (2,322)
269.2985

>  <PCAT_CMPD_ID> (2,322)
WAY-647173

>  <CNC_ID> (2,322)
359351552

>  <transfer_container_id> (2,322)
PTN000000068

>  <COMPOUND_NUMBER> (2,322)
WAY-647173

>  <LOCATION_CODE> (2,322)
PTNCS

>  <AMOUNT_CURRENT> (2,322)
32.6

$$$$
WAY-647742-A
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
 12  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,323)
2325

>  <Formula> (2,323)
C15H22N2O2S

>  <MolWeight> (2,323)
294.41238

>  <PCAT_CMPD_ID> (2,323)
WAY-647742-A

>  <CNC_ID> (2,323)
359352120

>  <transfer_container_id> (2,323)
PTN000000068

>  <COMPOUND_NUMBER> (2,323)
WAY-647742-A

>  <LOCATION_CODE> (2,323)
PTNCS

>  <AMOUNT_CURRENT> (2,323)
32.6

$$$$
WAY-647944
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,324)
2326

>  <Formula> (2,324)
C19H22N2O5

>  <MolWeight> (2,324)
358.38838

>  <PCAT_CMPD_ID> (2,324)
WAY-647944

>  <CNC_ID> (2,324)
359352322

>  <transfer_container_id> (2,324)
PTN000000068

>  <COMPOUND_NUMBER> (2,324)
WAY-647944

>  <LOCATION_CODE> (2,324)
PTNCS

>  <AMOUNT_CURRENT> (2,324)
32.7

$$$$
WAY-648165
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,325)
2327

>  <Formula> (2,325)
C12H10O2S2

>  <MolWeight> (2,325)
250.3366

>  <PCAT_CMPD_ID> (2,325)
WAY-648165

>  <CNC_ID> (2,325)
359352543

>  <transfer_container_id> (2,325)
PTN000000068

>  <COMPOUND_NUMBER> (2,325)
WAY-648165

>  <LOCATION_CODE> (2,325)
PTNCS

>  <AMOUNT_CURRENT> (2,325)
32.5

$$$$
WAY-648168
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,326)
2328

>  <Formula> (2,326)
C7H5N3S2

>  <MolWeight> (2,326)
195.2647

>  <PCAT_CMPD_ID> (2,326)
WAY-648168

>  <CNC_ID> (2,326)
359352546

>  <transfer_container_id> (2,326)
PTN000000068

>  <COMPOUND_NUMBER> (2,326)
WAY-648168

>  <LOCATION_CODE> (2,326)
PTNCS

>  <AMOUNT_CURRENT> (2,326)
32.4

$$$$
WAY-648235
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,327)
2329

>  <Formula> (2,327)
C25H25ClN2O4S

>  <MolWeight> (2,327)
484.995

>  <PCAT_CMPD_ID> (2,327)
WAY-648235

>  <CNC_ID> (2,327)
359352613

>  <transfer_container_id> (2,327)
PTN000000068

>  <COMPOUND_NUMBER> (2,327)
WAY-648235

>  <LOCATION_CODE> (2,327)
PTNCS

>  <AMOUNT_CURRENT> (2,327)
32.3

$$$$
WAY-648442
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,328)
2330

>  <Formula> (2,328)
C20H19N3O

>  <MolWeight> (2,328)
317.38436

>  <PCAT_CMPD_ID> (2,328)
WAY-648442

>  <CNC_ID> (2,328)
359352820

>  <transfer_container_id> (2,328)
PTN000000068

>  <COMPOUND_NUMBER> (2,328)
WAY-648442

>  <LOCATION_CODE> (2,328)
PTNCS

>  <AMOUNT_CURRENT> (2,328)
33

$$$$
WAY-648450
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,329)
2331

>  <Formula> (2,329)
C12H13ClN4O2

>  <MolWeight> (2,329)
280.71022

>  <PCAT_CMPD_ID> (2,329)
WAY-648450

>  <CNC_ID> (2,329)
359352828

>  <transfer_container_id> (2,329)
PTN000000068

>  <COMPOUND_NUMBER> (2,329)
WAY-648450

>  <LOCATION_CODE> (2,329)
PTNCS

>  <AMOUNT_CURRENT> (2,329)
32.9

$$$$
WAY-648723
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,330)
2332

>  <Formula> (2,330)
C18H17ClN2O

>  <MolWeight> (2,330)
312.79338

>  <PCAT_CMPD_ID> (2,330)
WAY-648723

>  <CNC_ID> (2,330)
359353101

>  <transfer_container_id> (2,330)
PTN000000068

>  <COMPOUND_NUMBER> (2,330)
WAY-648723

>  <LOCATION_CODE> (2,330)
PTNCS

>  <AMOUNT_CURRENT> (2,330)
32.9

$$$$
WAY-648753
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,331)
2333

>  <Formula> (2,331)
C11H14N2O4

>  <MolWeight> (2,331)
238.23986

>  <PCAT_CMPD_ID> (2,331)
WAY-648753

>  <CNC_ID> (2,331)
359353131

>  <transfer_container_id> (2,331)
PTN000000068

>  <COMPOUND_NUMBER> (2,331)
WAY-648753

>  <LOCATION_CODE> (2,331)
PTNCS

>  <AMOUNT_CURRENT> (2,331)
32.3

$$$$
WAY-649000
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,332)
2334

>  <Formula> (2,332)
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>  <MolWeight> (2,332)
233.2664

>  <PCAT_CMPD_ID> (2,332)
WAY-649000

>  <CNC_ID> (2,332)
359353376

>  <transfer_container_id> (2,332)
PTN000000068

>  <COMPOUND_NUMBER> (2,332)
WAY-649000

>  <LOCATION_CODE> (2,332)
PTNCS

>  <AMOUNT_CURRENT> (2,332)
32.1

$$$$
AY-17847
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,333)
2335

>  <Formula> (2,333)
C13H16O4

>  <MolWeight> (2,333)
236.26374

>  <PCAT_CMPD_ID> (2,333)
AY-17847

>  <CNC_ID> (2,333)
359380501

>  <transfer_container_id> (2,333)
PTN000000071

>  <COMPOUND_NUMBER> (2,333)
AY-17847

>  <LOCATION_CODE> (2,333)
PTNCS

>  <AMOUNT_CURRENT> (2,333)
32.4

$$$$
WAY-271428
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,334)
2336

>  <Formula> (2,334)
C15H14N2O3S

>  <MolWeight> (2,334)
302.34826

>  <PCAT_CMPD_ID> (2,334)
WAY-271428

>  <CNC_ID> (2,334)
359380956

>  <transfer_container_id> (2,334)
PTN000000071

>  <COMPOUND_NUMBER> (2,334)
WAY-271428

>  <LOCATION_CODE> (2,334)
PTNCS

>  <AMOUNT_CURRENT> (2,334)
32.5

$$$$
WAY-602842
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,335)
2337

>  <Formula> (2,335)
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>  <MolWeight> (2,335)
310.7991

>  <PCAT_CMPD_ID> (2,335)
WAY-602842

>  <CNC_ID> (2,335)
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>  <transfer_container_id> (2,335)
PTN000000071

>  <COMPOUND_NUMBER> (2,335)
WAY-602842

>  <LOCATION_CODE> (2,335)
PTNCS

>  <AMOUNT_CURRENT> (2,335)
32.9

$$$$
WAY-602876
csChFnd80/10101909502D

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 12  7  1  0  0  0  0
 13  6  1  0  0  0  0
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 17 11  1  0  0  0  0
 18  9  2  0  0  0  0
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M  END
>  <Mol_ID> (2,336)
2338

>  <Formula> (2,336)
C14H19N3O2

>  <MolWeight> (2,336)
261.31956

>  <PCAT_CMPD_ID> (2,336)
WAY-602876

>  <CNC_ID> (2,336)
359388825

>  <transfer_container_id> (2,336)
PTN000000071

>  <COMPOUND_NUMBER> (2,336)
WAY-602876

>  <LOCATION_CODE> (2,336)
PTNCS

>  <AMOUNT_CURRENT> (2,336)
32.9

$$$$
WAY-634664
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,337)
2339

>  <Formula> (2,337)
C16H16Cl2N2O2

>  <MolWeight> (2,337)
339.21644

>  <PCAT_CMPD_ID> (2,337)
WAY-634664

>  <CNC_ID> (2,337)
359389766

>  <transfer_container_id> (2,337)
PTN000000071

>  <COMPOUND_NUMBER> (2,337)
WAY-634664

>  <LOCATION_CODE> (2,337)
PTNCS

>  <AMOUNT_CURRENT> (2,337)
32.1

$$$$
WAY-634783
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,338)
2340

>  <Formula> (2,338)
C21H22ClN3O5S

>  <MolWeight> (2,338)
463.93448

>  <PCAT_CMPD_ID> (2,338)
WAY-634783

>  <CNC_ID> (2,338)
359389884

>  <transfer_container_id> (2,338)
PTN000000071

>  <COMPOUND_NUMBER> (2,338)
WAY-634783

>  <LOCATION_CODE> (2,338)
PTNCS

>  <AMOUNT_CURRENT> (2,338)
32.8

$$$$
WAY-653689
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,339)
2341

>  <Formula> (2,339)
C12H12FN3OS2

>  <MolWeight> (2,339)
297.3715832

>  <PCAT_CMPD_ID> (2,339)
WAY-653689

>  <CNC_ID> (2,339)
359391930

>  <transfer_container_id> (2,339)
PTN000000071

>  <COMPOUND_NUMBER> (2,339)
WAY-653689

>  <LOCATION_CODE> (2,339)
PTNCS

>  <AMOUNT_CURRENT> (2,339)
32.3

$$$$
WAY-655760
csChFnd80/10101909502D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,340)
2342

>  <Formula> (2,340)
C26H19FN4O3

>  <MolWeight> (2,340)
454.4524632

>  <PCAT_CMPD_ID> (2,340)
WAY-655760

>  <CNC_ID> (2,340)
359394000

>  <transfer_container_id> (2,340)
PTN000000071

>  <COMPOUND_NUMBER> (2,340)
WAY-655760

>  <LOCATION_CODE> (2,340)
PTNCS

>  <AMOUNT_CURRENT> (2,340)
32.8

$$$$
WAY-655764
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,341)
2343

>  <Formula> (2,341)
C18H14N2

>  <MolWeight> (2,341)
258.31716

>  <PCAT_CMPD_ID> (2,341)
WAY-655764

>  <CNC_ID> (2,341)
359394004

>  <transfer_container_id> (2,341)
PTN000000071

>  <COMPOUND_NUMBER> (2,341)
WAY-655764

>  <LOCATION_CODE> (2,341)
PTNCS

>  <AMOUNT_CURRENT> (2,341)
32.3

$$$$
WAY-621292
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,342)
2344

>  <Formula> (2,342)
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>  <MolWeight> (2,342)
172.24798

>  <PCAT_CMPD_ID> (2,342)
WAY-621292

>  <CNC_ID> (2,342)
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>  <transfer_container_id> (2,342)
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>  <COMPOUND_NUMBER> (2,342)
WAY-621292

>  <LOCATION_CODE> (2,342)
PTNCS

>  <AMOUNT_CURRENT> (2,342)
32.3

$$$$
WAY-622246
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,343)
2345

>  <Formula> (2,343)
C16H14O6

>  <MolWeight> (2,343)
302.27876

>  <PCAT_CMPD_ID> (2,343)
WAY-622246

>  <CNC_ID> (2,343)
359429519

>  <transfer_container_id> (2,343)
PTN000000074

>  <COMPOUND_NUMBER> (2,343)
WAY-622246

>  <LOCATION_CODE> (2,343)
PTNCS

>  <AMOUNT_CURRENT> (2,343)
32

$$$$
WAY-641009
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,344)
2346

>  <Formula> (2,344)
C16H20N4O3S

>  <MolWeight> (2,344)
348.42

>  <PCAT_CMPD_ID> (2,344)
WAY-641009

>  <CNC_ID> (2,344)
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>  <transfer_container_id> (2,344)
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>  <COMPOUND_NUMBER> (2,344)
WAY-641009

>  <LOCATION_CODE> (2,344)
PTNCS

>  <AMOUNT_CURRENT> (2,344)
32

$$$$
WAY-343991
csChFnd80/10101909502D

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  5  6  2  0  0  0  0
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M  END
>  <Mol_ID> (2,345)
2347

>  <Formula> (2,345)
C15H13FO4

>  <MolWeight> (2,345)
276.2597232

>  <PCAT_CMPD_ID> (2,345)
WAY-343991

>  <CNC_ID> (2,345)
359319329

>  <transfer_container_id> (2,345)
PTN000000065

>  <COMPOUND_NUMBER> (2,345)
WAY-343991

>  <LOCATION_CODE> (2,345)
PTNCS

>  <AMOUNT_CURRENT> (2,345)
32.1

$$$$
WAY-344347
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,346)
2348

>  <Formula> (2,346)
C21H23N3O3

>  <MolWeight> (2,346)
365.42562

>  <PCAT_CMPD_ID> (2,346)
WAY-344347

>  <CNC_ID> (2,346)
359319682

>  <transfer_container_id> (2,346)
PTN000000065

>  <COMPOUND_NUMBER> (2,346)
WAY-344347

>  <LOCATION_CODE> (2,346)
PTNCS

>  <AMOUNT_CURRENT> (2,346)
32.5

$$$$
WAY-312096
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,347)
2349

>  <Formula> (2,347)
C20H14ClNO3

>  <MolWeight> (2,347)
351.78306

>  <PCAT_CMPD_ID> (2,347)
WAY-312096

>  <CNC_ID> (2,347)
359315836

>  <transfer_container_id> (2,347)
PTN000000065

>  <COMPOUND_NUMBER> (2,347)
WAY-312096

>  <LOCATION_CODE> (2,347)
PTNCS

>  <AMOUNT_CURRENT> (2,347)
33.2

$$$$
WAY-312212
csChFnd80/10101909502D

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 14 16  1  0  0  0  0
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M  END
>  <Mol_ID> (2,348)
2350

>  <Formula> (2,348)
C17H14ClN5O

>  <MolWeight> (2,348)
339.77896

>  <PCAT_CMPD_ID> (2,348)
WAY-312212

>  <CNC_ID> (2,348)
359315952

>  <transfer_container_id> (2,348)
PTN000000065

>  <COMPOUND_NUMBER> (2,348)
WAY-312212

>  <LOCATION_CODE> (2,348)
PTNCS

>  <AMOUNT_CURRENT> (2,348)
33.2

$$$$
WAY-345499
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,349)
2351

>  <Formula> (2,349)
C20H12BrClN2O3S

>  <MolWeight> (2,349)
475.74288

>  <PCAT_CMPD_ID> (2,349)
WAY-345499

>  <CNC_ID> (2,349)
359320768

>  <transfer_container_id> (2,349)
PTN000000065

>  <COMPOUND_NUMBER> (2,349)
WAY-345499

>  <LOCATION_CODE> (2,349)
PTNCS

>  <AMOUNT_CURRENT> (2,349)
32.4

$$$$
WAY-311851
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (2,350)
2352

>  <Formula> (2,350)
C16H19NO3

>  <MolWeight> (2,350)
273.32696

>  <PCAT_CMPD_ID> (2,350)
WAY-311851

>  <CNC_ID> (2,350)
359315592

>  <transfer_container_id> (2,350)
PTN000000065

>  <COMPOUND_NUMBER> (2,350)
WAY-311851

>  <LOCATION_CODE> (2,350)
PTNCS

>  <AMOUNT_CURRENT> (2,350)
33.6

$$$$
WAY-311407
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,351)
2353

>  <Formula> (2,351)
C17H16N2O3S

>  <MolWeight> (2,351)
328.38554

>  <PCAT_CMPD_ID> (2,351)
WAY-311407

>  <CNC_ID> (2,351)
359315148

>  <transfer_container_id> (2,351)
PTN000000065

>  <COMPOUND_NUMBER> (2,351)
WAY-311407

>  <LOCATION_CODE> (2,351)
PTNCS

>  <AMOUNT_CURRENT> (2,351)
33.9

$$$$
WAY-345155-A
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
   11.8625  -12.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 12  2  1  0  0  0  0
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 14  3  2  0  0  0  0
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 18 16  1  0  0  0  0
  8  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,352)
2354

>  <Formula> (2,352)
C14H16N2O2

>  <MolWeight> (2,352)
244.28904

>  <PCAT_CMPD_ID> (2,352)
WAY-345155-A

>  <CNC_ID> (2,352)
359320458

>  <transfer_container_id> (2,352)
PTN000000065

>  <COMPOUND_NUMBER> (2,352)
WAY-345155-A

>  <LOCATION_CODE> (2,352)
PTNCS

>  <AMOUNT_CURRENT> (2,352)
32.5

$$$$
WAY-344809
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,353)
2355

>  <Formula> (2,353)
C15H14ClN3O2S

>  <MolWeight> (2,353)
335.80856

>  <PCAT_CMPD_ID> (2,353)
WAY-344809

>  <CNC_ID> (2,353)
359320120

>  <transfer_container_id> (2,353)
PTN000000065

>  <COMPOUND_NUMBER> (2,353)
WAY-344809

>  <LOCATION_CODE> (2,353)
PTNCS

>  <AMOUNT_CURRENT> (2,353)
33

$$$$
WAY-310733
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,354)
2356

>  <Formula> (2,354)
C12H11NO5

>  <MolWeight> (2,354)
249.21944

>  <PCAT_CMPD_ID> (2,354)
WAY-310733

>  <CNC_ID> (2,354)
359314474

>  <transfer_container_id> (2,354)
PTN000000065

>  <COMPOUND_NUMBER> (2,354)
WAY-310733

>  <LOCATION_CODE> (2,354)
PTNCS

>  <AMOUNT_CURRENT> (2,354)
33.3

$$$$
WAY-216232
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,355)
2357

>  <Formula> (2,355)
C22H26N2O4

>  <MolWeight> (2,355)
382.45284

>  <PCAT_CMPD_ID> (2,355)
WAY-216232

>  <CNC_ID> (2,355)
359313783

>  <transfer_container_id> (2,355)
PTN000000065

>  <COMPOUND_NUMBER> (2,355)
WAY-216232

>  <LOCATION_CODE> (2,355)
PTNCS

>  <AMOUNT_CURRENT> (2,355)
33.5

$$$$
WAY-234009
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,356)
2358

>  <Formula> (2,356)
C20H17FN4O3

>  <MolWeight> (2,356)
380.3723832

>  <PCAT_CMPD_ID> (2,356)
WAY-234009

>  <CNC_ID> (2,356)
359313920

>  <transfer_container_id> (2,356)
PTN000000065

>  <COMPOUND_NUMBER> (2,356)
WAY-234009

>  <LOCATION_CODE> (2,356)
PTNCS

>  <AMOUNT_CURRENT> (2,356)
33.9

$$$$
WAY-310639
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 22 24  1  0  0  0  0
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,357)
2359

>  <Formula> (2,357)
C17H17F3N2O2

>  <MolWeight> (2,357)
338.3242896

>  <PCAT_CMPD_ID> (2,357)
WAY-310639

>  <CNC_ID> (2,357)
359314380

>  <transfer_container_id> (2,357)
PTN000000065

>  <COMPOUND_NUMBER> (2,357)
WAY-310639

>  <LOCATION_CODE> (2,357)
PTNCS

>  <AMOUNT_CURRENT> (2,357)
33.4

$$$$
WAY-311501
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  7 11  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,358)
2360

>  <Formula> (2,358)
C18H18N2OS

>  <MolWeight> (2,358)
310.41332

>  <PCAT_CMPD_ID> (2,358)
WAY-311501

>  <CNC_ID> (2,358)
359315242

>  <transfer_container_id> (2,358)
PTN000000065

>  <COMPOUND_NUMBER> (2,358)
WAY-311501

>  <LOCATION_CODE> (2,358)
PTNCS

>  <AMOUNT_CURRENT> (2,358)
33.7

$$$$
WAY-344794
csChFnd80/10101909502D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,359)
2361

>  <Formula> (2,359)
C23H21ClFN3O4S

>  <MolWeight> (2,359)
489.9469432

>  <PCAT_CMPD_ID> (2,359)
WAY-344794

>  <CNC_ID> (2,359)
359320105

>  <transfer_container_id> (2,359)
PTN000000065

>  <COMPOUND_NUMBER> (2,359)
WAY-344794

>  <LOCATION_CODE> (2,359)
PTNCS

>  <AMOUNT_CURRENT> (2,359)
33

$$$$
WAY-344822
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,360)
2362

>  <Formula> (2,360)
C19H18N2O4S2

>  <MolWeight> (2,360)
402.48722

>  <PCAT_CMPD_ID> (2,360)
WAY-344822

>  <CNC_ID> (2,360)
359320133

>  <transfer_container_id> (2,360)
PTN000000065

>  <COMPOUND_NUMBER> (2,360)
WAY-344822

>  <LOCATION_CODE> (2,360)
PTNCS

>  <AMOUNT_CURRENT> (2,360)
33

$$$$
WAY-312276
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,361)
2363

>  <Formula> (2,361)
C20H26N2O5S2

>  <MolWeight> (2,361)
438.56084

>  <PCAT_CMPD_ID> (2,361)
WAY-312276

>  <CNC_ID> (2,361)
359316016

>  <transfer_container_id> (2,361)
PTN000000065

>  <COMPOUND_NUMBER> (2,361)
WAY-312276

>  <LOCATION_CODE> (2,361)
PTNCS

>  <AMOUNT_CURRENT> (2,361)
33.9

$$$$
WAY-344551
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  1  0  0  0  0
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 17  6  1  0  0  0  0
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 15 14  2  0  0  0  0
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M  END
>  <Mol_ID> (2,362)
2364

>  <Formula> (2,362)
C14H7BrClFN2OS

>  <MolWeight> (2,362)
385.6385832

>  <PCAT_CMPD_ID> (2,362)
WAY-344551

>  <CNC_ID> (2,362)
359319874

>  <transfer_container_id> (2,362)
PTN000000065

>  <COMPOUND_NUMBER> (2,362)
WAY-344551

>  <LOCATION_CODE> (2,362)
PTNCS

>  <AMOUNT_CURRENT> (2,362)
32.4

$$$$
WAY-312334
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  6  8  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,363)
2365

>  <Formula> (2,363)
C18H25N3O2

>  <MolWeight> (2,363)
315.41

>  <PCAT_CMPD_ID> (2,363)
WAY-312334

>  <CNC_ID> (2,363)
359316074

>  <transfer_container_id> (2,363)
PTN000000065

>  <COMPOUND_NUMBER> (2,363)
WAY-312334

>  <LOCATION_CODE> (2,363)
PTNCS

>  <AMOUNT_CURRENT> (2,363)
33

$$$$
WAY-311150
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,364)
2366

>  <Formula> (2,364)
C14H10N4O3S

>  <MolWeight> (2,364)
314.3192

>  <PCAT_CMPD_ID> (2,364)
WAY-311150

>  <CNC_ID> (2,364)
359314891

>  <transfer_container_id> (2,364)
PTN000000065

>  <COMPOUND_NUMBER> (2,364)
WAY-311150

>  <LOCATION_CODE> (2,364)
PTNCS

>  <AMOUNT_CURRENT> (2,364)
33.3

$$$$
WAY-344878
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,365)
2367

>  <Formula> (2,365)
C15H14BrN5O2

>  <MolWeight> (2,365)
376.20796

>  <PCAT_CMPD_ID> (2,365)
WAY-344878

>  <CNC_ID> (2,365)
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>  <transfer_container_id> (2,365)
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>  <COMPOUND_NUMBER> (2,365)
WAY-344878

>  <LOCATION_CODE> (2,365)
PTNCS

>  <AMOUNT_CURRENT> (2,365)
32.2

$$$$
WAY-311760
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,366)
2368

>  <Formula> (2,366)
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>  <MolWeight> (2,366)
411.92114

>  <PCAT_CMPD_ID> (2,366)
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>  <CNC_ID> (2,366)
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>  <transfer_container_id> (2,366)
PTN000000065

>  <COMPOUND_NUMBER> (2,366)
WAY-311760

>  <LOCATION_CODE> (2,366)
PTNCS

>  <AMOUNT_CURRENT> (2,366)
33.4

$$$$
WAY-313295
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,367)
2369

>  <Formula> (2,367)
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>  <MolWeight> (2,367)
388.48056

>  <PCAT_CMPD_ID> (2,367)
WAY-313295

>  <CNC_ID> (2,367)
359328331

>  <transfer_container_id> (2,367)
PTN000000067

>  <COMPOUND_NUMBER> (2,367)
WAY-313295

>  <LOCATION_CODE> (2,367)
PTNCS

>  <AMOUNT_CURRENT> (2,367)
33.8

$$$$
WAY-313153
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,368)
2370

>  <Formula> (2,368)
C22H17N3O2

>  <MolWeight> (2,368)
355.38928

>  <PCAT_CMPD_ID> (2,368)
WAY-313153

>  <CNC_ID> (2,368)
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>  <transfer_container_id> (2,368)
PTN000000067

>  <COMPOUND_NUMBER> (2,368)
WAY-313153

>  <LOCATION_CODE> (2,368)
PTNCS

>  <AMOUNT_CURRENT> (2,368)
33.4

$$$$
WAY-616376
csChFnd80/10101909502D

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>  <Mol_ID> (2,369)
2371

>  <Formula> (2,369)
C14H18BrNO2

>  <MolWeight> (2,369)
312.20222

>  <PCAT_CMPD_ID> (2,369)
WAY-616376

>  <CNC_ID> (2,369)
359321461

>  <transfer_container_id> (2,369)
PTN000000065

>  <COMPOUND_NUMBER> (2,369)
WAY-616376

>  <LOCATION_CODE> (2,369)
PTNCS

>  <AMOUNT_CURRENT> (2,369)
32.3

$$$$
WAY-624037
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,370)
2372

>  <Formula> (2,370)
C23H29N3O3

>  <MolWeight> (2,370)
395.49466

>  <PCAT_CMPD_ID> (2,370)
WAY-624037

>  <CNC_ID> (2,370)
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>  <transfer_container_id> (2,370)
PTN000000065

>  <COMPOUND_NUMBER> (2,370)
WAY-624037

>  <LOCATION_CODE> (2,370)
PTNCS

>  <AMOUNT_CURRENT> (2,370)
32.3

$$$$
WAY-643549
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,371)
2373

>  <Formula> (2,371)
C15H14F3N3O6

>  <MolWeight> (2,371)
389.2833696

>  <PCAT_CMPD_ID> (2,371)
WAY-643549

>  <CNC_ID> (2,371)
359325287

>  <transfer_container_id> (2,371)
PTN000000065

>  <COMPOUND_NUMBER> (2,371)
WAY-643549

>  <LOCATION_CODE> (2,371)
PTNCS

>  <AMOUNT_CURRENT> (2,371)
32.2

$$$$
WAY-663155
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,372)
2374

>  <Formula> (2,372)
C18H17FN2O4

>  <MolWeight> (2,372)
344.3369832

>  <PCAT_CMPD_ID> (2,372)
WAY-663155

>  <CNC_ID> (2,372)
359326058

>  <transfer_container_id> (2,372)
PTN000000065

>  <COMPOUND_NUMBER> (2,372)
WAY-663155

>  <LOCATION_CODE> (2,372)
PTNCS

>  <AMOUNT_CURRENT> (2,372)
32.6

$$$$
WAY-642322
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,373)
2375

>  <Formula> (2,373)
C21H32N4O4S

>  <MolWeight> (2,373)
436.56818

>  <PCAT_CMPD_ID> (2,373)
WAY-642322

>  <CNC_ID> (2,373)
359324060

>  <transfer_container_id> (2,373)
PTN000000065

>  <COMPOUND_NUMBER> (2,373)
WAY-642322

>  <LOCATION_CODE> (2,373)
PTNCS

>  <AMOUNT_CURRENT> (2,373)
32.5

$$$$
WAY-616979
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,374)
2376

>  <Formula> (2,374)
C25H24N4O3

>  <MolWeight> (2,374)
428.48306

>  <PCAT_CMPD_ID> (2,374)
WAY-616979

>  <CNC_ID> (2,374)
359322065

>  <transfer_container_id> (2,374)
PTN000000065

>  <COMPOUND_NUMBER> (2,374)
WAY-616979

>  <LOCATION_CODE> (2,374)
PTNCS

>  <AMOUNT_CURRENT> (2,374)
32.4

$$$$
WAY-616452
csChFnd80/10101909502D

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 11  8  1  0  0  0  0
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 13  7  1  0  0  0  0
 14 20  1  0  0  0  0
 15  6  2  0  0  0  0
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M  END
>  <Mol_ID> (2,375)
2377

>  <Formula> (2,375)
C16H15N3O5

>  <MolWeight> (2,375)
329.3074

>  <PCAT_CMPD_ID> (2,375)
WAY-616452

>  <CNC_ID> (2,375)
359321537

>  <transfer_container_id> (2,375)
PTN000000065

>  <COMPOUND_NUMBER> (2,375)
WAY-616452

>  <LOCATION_CODE> (2,375)
PTNCS

>  <AMOUNT_CURRENT> (2,375)
32.2

$$$$
WAY-624407
csChFnd80/10101909502D

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 10  7  1  0  0  0  0
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 15  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,376)
2378

>  <Formula> (2,376)
C16H14N4O2S

>  <MolWeight> (2,376)
326.37296

>  <PCAT_CMPD_ID> (2,376)
WAY-624407

>  <CNC_ID> (2,376)
359322828

>  <transfer_container_id> (2,376)
PTN000000065

>  <COMPOUND_NUMBER> (2,376)
WAY-624407

>  <LOCATION_CODE> (2,376)
PTNCS

>  <AMOUNT_CURRENT> (2,376)
32.1

$$$$
WAY-643731
csChFnd80/10101909502D

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 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,377)
2379

>  <Formula> (2,377)
C17H16N4O3

>  <MolWeight> (2,377)
324.33394

>  <PCAT_CMPD_ID> (2,377)
WAY-643731

>  <CNC_ID> (2,377)
359325469

>  <transfer_container_id> (2,377)
PTN000000065

>  <COMPOUND_NUMBER> (2,377)
WAY-643731

>  <LOCATION_CODE> (2,377)
PTNCS

>  <AMOUNT_CURRENT> (2,377)
33

$$$$
WAY-616829
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,378)
2380

>  <Formula> (2,378)
C19H19NO

>  <MolWeight> (2,378)
277.36026

>  <PCAT_CMPD_ID> (2,378)
WAY-616829

>  <CNC_ID> (2,378)
359321915

>  <transfer_container_id> (2,378)
PTN000000065

>  <COMPOUND_NUMBER> (2,378)
WAY-616829

>  <LOCATION_CODE> (2,378)
PTNCS

>  <AMOUNT_CURRENT> (2,378)
33

$$$$
WAY-642882
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  2  1  0  0  0  0
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  9 11  1  0  0  0  0
 10 13  2  0  0  0  0
 11  8  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16  5  1  0  0  0  0
 17 10  1  0  0  0  0
  4  5  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,379)
2381

>  <Formula> (2,379)
C12H14N2O3

>  <MolWeight> (2,379)
234.25116

>  <PCAT_CMPD_ID> (2,379)
WAY-642882

>  <CNC_ID> (2,379)
359324620

>  <transfer_container_id> (2,379)
PTN000000065

>  <COMPOUND_NUMBER> (2,379)
WAY-642882

>  <LOCATION_CODE> (2,379)
PTNCS

>  <AMOUNT_CURRENT> (2,379)
32.7

$$$$
WAY-663719
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  2  0  0  0  0
 15 17  1  0  0  0  0
 16  6  1  0  0  0  0
 17 10  2  0  0  0  0
 18 15  1  0  0  0  0
 19  5  1  0  0  0  0
 20  7  1  0  0  0  0
 21  9  1  0  0  0  0
 22  8  1  0  0  0  0
 23 24  1  0  0  0  0
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 23 19  2  0  0  0  0
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M  END
>  <Mol_ID> (2,380)
2382

>  <Formula> (2,380)
C21H15NO4

>  <MolWeight> (2,380)
345.3481

>  <PCAT_CMPD_ID> (2,380)
WAY-663719

>  <CNC_ID> (2,380)
359326623

>  <transfer_container_id> (2,380)
PTN000000065

>  <COMPOUND_NUMBER> (2,380)
WAY-663719

>  <LOCATION_CODE> (2,380)
PTNCS

>  <AMOUNT_CURRENT> (2,380)
32.2

$$$$
WAY-663298
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 13  9  1  0  0  0  0
 14 18  1  0  0  0  0
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 16 14  1  0  0  0  0
 17  3  1  0  0  0  0
 18 21  2  0  0  0  0
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 20 15  2  0  0  0  0
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 22  6  1  0  0  0  0
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 24 22  2  0  0  0  0
 14 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,381)
2383

>  <Formula> (2,381)
C17H14FN3O3

>  <MolWeight> (2,381)
327.3097632

>  <PCAT_CMPD_ID> (2,381)
WAY-663298

>  <CNC_ID> (2,381)
359326201

>  <transfer_container_id> (2,381)
PTN000000065

>  <COMPOUND_NUMBER> (2,381)
WAY-663298

>  <LOCATION_CODE> (2,381)
PTNCS

>  <AMOUNT_CURRENT> (2,381)
32.7

$$$$
WAY-641793
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,382)
2384

>  <Formula> (2,382)
C19H25N3O3

>  <MolWeight> (2,382)
343.4201

>  <PCAT_CMPD_ID> (2,382)
WAY-641793

>  <CNC_ID> (2,382)
359323531

>  <transfer_container_id> (2,382)
PTN000000065

>  <COMPOUND_NUMBER> (2,382)
WAY-641793

>  <LOCATION_CODE> (2,382)
PTNCS

>  <AMOUNT_CURRENT> (2,382)
32.5

$$$$
WAY-624446
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,383)
2385

>  <Formula> (2,383)
C20H16N2O5

>  <MolWeight> (2,383)
364.35144

>  <PCAT_CMPD_ID> (2,383)
WAY-624446

>  <CNC_ID> (2,383)
359322867

>  <transfer_container_id> (2,383)
PTN000000065

>  <COMPOUND_NUMBER> (2,383)
WAY-624446

>  <LOCATION_CODE> (2,383)
PTNCS

>  <AMOUNT_CURRENT> (2,383)
32

$$$$
CL-417093
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
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  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,384)
2386

>  <Formula> (2,384)
C11H12N2S2

>  <MolWeight> (2,384)
236.35638

>  <PCAT_CMPD_ID> (2,384)
CL-417093

>  <CNC_ID> (2,384)
359313616

>  <transfer_container_id> (2,384)
PTN000000070

>  <COMPOUND_NUMBER> (2,384)
CL-417093

>  <LOCATION_CODE> (2,384)
PTNCS

>  <AMOUNT_CURRENT> (2,384)
32.4

$$$$
WAY-623463
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  8 12  1  0  0  0  0
  9  5  1  0  0  0  0
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 11  1  2  0  0  0  0
 12 19  2  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 15  2  0  0  0  0
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 20  3  1  0  0  0  0
 21  3  1  0  0  0  0
 22  6  1  0  0  0  0
 23  9  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  1  0  0  0  0
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 27 22  2  0  0  0  0
 28 25  1  0  0  0  0
 29 24  1  0  0  0  0
 18 12  1  0  0  0  0
 29 28  1  0  0  0  0
  9  6  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,385)
2387

>  <Formula> (2,385)
C21H23N3O4S

>  <MolWeight> (2,385)
413.49002

>  <PCAT_CMPD_ID> (2,385)
WAY-623463

>  <CNC_ID> (2,385)
359322084

>  <transfer_container_id> (2,385)
PTN000000065

>  <COMPOUND_NUMBER> (2,385)
WAY-623463

>  <LOCATION_CODE> (2,385)
PTNCS

>  <AMOUNT_CURRENT> (2,385)
32.7

$$$$
WAY-623840
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  8 14  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
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 16 15  1  0  0  0  0
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 21 19  2  0  0  0  0
  9  6  1  0  0  0  0
  7  4  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,386)
2388

>  <Formula> (2,386)
C15H13N3O2S

>  <MolWeight> (2,386)
299.34762

>  <PCAT_CMPD_ID> (2,386)
WAY-623840

>  <CNC_ID> (2,386)
359322460

>  <transfer_container_id> (2,386)
PTN000000065

>  <COMPOUND_NUMBER> (2,386)
WAY-623840

>  <LOCATION_CODE> (2,386)
PTNCS

>  <AMOUNT_CURRENT> (2,386)
32.4

$$$$
WAY-625503
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
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 13 12  1  0  0  0  0
 14  4  2  0  0  0  0
 15  7  2  0  0  0  0
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 16 17  1  0  0  0  0
 26 21  2  0  0  0  0
 30 29  2  0  0  0  0
M  END
>  <Mol_ID> (2,387)
2389

>  <Formula> (2,387)
C24H21N3O3

>  <MolWeight> (2,387)
399.44184

>  <PCAT_CMPD_ID> (2,387)
WAY-625503

>  <CNC_ID> (2,387)
359334312

>  <transfer_container_id> (2,387)
PTN000000067

>  <COMPOUND_NUMBER> (2,387)
WAY-625503

>  <LOCATION_CODE> (2,387)
PTNCS

>  <AMOUNT_CURRENT> (2,387)
32.8

$$$$
WAY-644705
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
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 14 13  2  0  0  0  0
 15  6  1  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
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 22 20  2  0  0  0  0
 15 10  2  0  0  0  0
  7 14  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,388)
2390

>  <Formula> (2,388)
C16H11N3O3

>  <MolWeight> (2,388)
293.27684

>  <PCAT_CMPD_ID> (2,388)
WAY-644705

>  <CNC_ID> (2,388)
359337377

>  <transfer_container_id> (2,388)
PTN000000067

>  <COMPOUND_NUMBER> (2,388)
WAY-644705

>  <LOCATION_CODE> (2,388)
PTNCS

>  <AMOUNT_CURRENT> (2,388)
32.6

$$$$
WAY-646962
csChFnd80/10101909502D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,389)
2391

>  <Formula> (2,389)
C19H21N3O3S

>  <MolWeight> (2,389)
371.45334

>  <PCAT_CMPD_ID> (2,389)
WAY-646962

>  <CNC_ID> (2,389)
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>  <transfer_container_id> (2,389)
PTN000000067

>  <COMPOUND_NUMBER> (2,389)
WAY-646962

>  <LOCATION_CODE> (2,389)
PTNCS

>  <AMOUNT_CURRENT> (2,389)
32.3

$$$$
WAY-647097
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,390)
2392

>  <Formula> (2,390)
C25H23NO2

>  <MolWeight> (2,390)
369.45562

>  <PCAT_CMPD_ID> (2,390)
WAY-647097

>  <CNC_ID> (2,390)
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>  <transfer_container_id> (2,390)
PTN000000067

>  <COMPOUND_NUMBER> (2,390)
WAY-647097

>  <LOCATION_CODE> (2,390)
PTNCS

>  <AMOUNT_CURRENT> (2,390)
32

$$$$
WAY-273996
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,391)
2393

>  <Formula> (2,391)
C18H18ClN3O

>  <MolWeight> (2,391)
327.80802

>  <PCAT_CMPD_ID> (2,391)
WAY-273996

>  <CNC_ID> (2,391)
359341260

>  <transfer_container_id> (2,391)
PTN000000068

>  <COMPOUND_NUMBER> (2,391)
WAY-273996

>  <LOCATION_CODE> (2,391)
PTNCS

>  <AMOUNT_CURRENT> (2,391)
32.5

$$$$
WAY-611768
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,392)
2394

>  <Formula> (2,392)
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>  <MolWeight> (2,392)
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>  <PCAT_CMPD_ID> (2,392)
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>  <CNC_ID> (2,392)
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>  <transfer_container_id> (2,392)
PTN000000068

>  <COMPOUND_NUMBER> (2,392)
WAY-611768

>  <LOCATION_CODE> (2,392)
PTNCS

>  <AMOUNT_CURRENT> (2,392)
32.8

$$$$
WAY-611854
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,393)
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>  <Formula> (2,393)
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>  <MolWeight> (2,393)
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>  <PCAT_CMPD_ID> (2,393)
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>  <CNC_ID> (2,393)
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>  <transfer_container_id> (2,393)
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>  <COMPOUND_NUMBER> (2,393)
WAY-611854

>  <LOCATION_CODE> (2,393)
PTNCS

>  <AMOUNT_CURRENT> (2,393)
32.4

$$$$
WAY-612136
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,394)
2396

>  <Formula> (2,394)
C21H29N3O3S

>  <MolWeight> (2,394)
403.53826

>  <PCAT_CMPD_ID> (2,394)
WAY-612136

>  <CNC_ID> (2,394)
359348038

>  <transfer_container_id> (2,394)
PTN000000068

>  <COMPOUND_NUMBER> (2,394)
WAY-612136

>  <LOCATION_CODE> (2,394)
PTNCS

>  <AMOUNT_CURRENT> (2,394)
32.8

$$$$
WAY-612204
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,395)
2397

>  <Formula> (2,395)
C18H15ClN2O4S

>  <MolWeight> (2,395)
390.8407

>  <PCAT_CMPD_ID> (2,395)
WAY-612204

>  <CNC_ID> (2,395)
359348106

>  <transfer_container_id> (2,395)
PTN000000068

>  <COMPOUND_NUMBER> (2,395)
WAY-612204

>  <LOCATION_CODE> (2,395)
PTNCS

>  <AMOUNT_CURRENT> (2,395)
32.4

$$$$
WAY-612418
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,396)
2398

>  <Formula> (2,396)
C21H15N3OS2

>  <MolWeight> (2,396)
389.4933

>  <PCAT_CMPD_ID> (2,396)
WAY-612418

>  <CNC_ID> (2,396)
359348320

>  <transfer_container_id> (2,396)
PTN000000068

>  <COMPOUND_NUMBER> (2,396)
WAY-612418

>  <LOCATION_CODE> (2,396)
PTNCS

>  <AMOUNT_CURRENT> (2,396)
32.3

$$$$
WAY-612582
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,397)
2399

>  <Formula> (2,397)
C16H13Cl2F3N2O4S

>  <MolWeight> (2,397)
457.2516296

>  <PCAT_CMPD_ID> (2,397)
WAY-612582

>  <CNC_ID> (2,397)
359348484

>  <transfer_container_id> (2,397)
PTN000000068

>  <COMPOUND_NUMBER> (2,397)
WAY-612582

>  <LOCATION_CODE> (2,397)
PTNCS

>  <AMOUNT_CURRENT> (2,397)
32.4

$$$$
WAY-628386
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,398)
2400

>  <Formula> (2,398)
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>  <MolWeight> (2,398)
375.3741632

>  <PCAT_CMPD_ID> (2,398)
WAY-628386

>  <CNC_ID> (2,398)
359349536

>  <transfer_container_id> (2,398)
PTN000000068

>  <COMPOUND_NUMBER> (2,398)
WAY-628386

>  <LOCATION_CODE> (2,398)
PTNCS

>  <AMOUNT_CURRENT> (2,398)
33

$$$$
WAY-629344
csChFnd80/10101909502D

 18 21  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
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 14 10  1  0  0  0  0
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 11 10  2  0  0  0  0
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 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,399)
2401

>  <Formula> (2,399)
C13H11N5

>  <MolWeight> (2,399)
237.25994

>  <PCAT_CMPD_ID> (2,399)
WAY-629344

>  <CNC_ID> (2,399)
359350494

>  <transfer_container_id> (2,399)
PTN000000068

>  <COMPOUND_NUMBER> (2,399)
WAY-629344

>  <LOCATION_CODE> (2,399)
PTNCS

>  <AMOUNT_CURRENT> (2,399)
32.5

$$$$
WAY-629436
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
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 14  4  1  0  0  0  0
 15  4  2  0  0  0  0
 16  8  1  0  0  0  0
 17  7  2  0  0  0  0
 18 27  1  0  0  0  0
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 16 10  2  0  0  0  0
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,400)
2402

>  <Formula> (2,400)
C18H16ClFN2O5

>  <MolWeight> (2,400)
394.7814432

>  <PCAT_CMPD_ID> (2,400)
WAY-629436

>  <CNC_ID> (2,400)
359350586

>  <transfer_container_id> (2,400)
PTN000000068

>  <COMPOUND_NUMBER> (2,400)
WAY-629436

>  <LOCATION_CODE> (2,400)
PTNCS

>  <AMOUNT_CURRENT> (2,400)
32.8

$$$$
WAY-629530
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
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 18 14  2  0  0  0  0
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 15 13  2  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,401)
2403

>  <Formula> (2,401)
C14H13NO3

>  <MolWeight> (2,401)
243.25792

>  <PCAT_CMPD_ID> (2,401)
WAY-629530

>  <CNC_ID> (2,401)
359350680

>  <transfer_container_id> (2,401)
PTN000000068

>  <COMPOUND_NUMBER> (2,401)
WAY-629530

>  <LOCATION_CODE> (2,401)
PTNCS

>  <AMOUNT_CURRENT> (2,401)
32.5

$$$$
WAY-629540
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
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 17  6  1  0  0  0  0
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 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,402)
2404

>  <Formula> (2,402)
C17H16O6

>  <MolWeight> (2,402)
316.30534

>  <PCAT_CMPD_ID> (2,402)
WAY-629540

>  <CNC_ID> (2,402)
359350690

>  <transfer_container_id> (2,402)
PTN000000068

>  <COMPOUND_NUMBER> (2,402)
WAY-629540

>  <LOCATION_CODE> (2,402)
PTNCS

>  <AMOUNT_CURRENT> (2,402)
32.3

$$$$
WAY-629679
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 13  2  2  0  0  0  0
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 18  9  1  0  0  0  0
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 22 21  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  2  0  0  0  0
 11  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,403)
2405

>  <Formula> (2,403)
C16H12FNO3S

>  <MolWeight> (2,403)
317.3347832

>  <PCAT_CMPD_ID> (2,403)
WAY-629679

>  <CNC_ID> (2,403)
359350829

>  <transfer_container_id> (2,403)
PTN000000068

>  <COMPOUND_NUMBER> (2,403)
WAY-629679

>  <LOCATION_CODE> (2,403)
PTNCS

>  <AMOUNT_CURRENT> (2,403)
32.6

$$$$
WAY-630219
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,404)
2406

>  <Formula> (2,404)
C19H19ClN2O6S

>  <MolWeight> (2,404)
438.88196

>  <PCAT_CMPD_ID> (2,404)
WAY-630219

>  <CNC_ID> (2,404)
359351368

>  <transfer_container_id> (2,404)
PTN000000068

>  <COMPOUND_NUMBER> (2,404)
WAY-630219

>  <LOCATION_CODE> (2,404)
PTNCS

>  <AMOUNT_CURRENT> (2,404)
32.8

$$$$
WAY-613179-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,405)
2407

>  <Formula> (2,405)
C4H6O5S2

>  <MolWeight> (2,405)
198.21744

>  <PCAT_CMPD_ID> (2,405)
WAY-613179

>  <CNC_ID> (2,405)
359361202

>  <transfer_container_id> (2,405)
PTN000000069

>  <COMPOUND_NUMBER> (2,405)
WAY-613179

>  <LOCATION_CODE> (2,405)
PTNCS

>  <AMOUNT_CURRENT> (2,405)
32

$$$$
WAY-613197
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,406)
2408

>  <Formula> (2,406)
C24H24N2O5S2

>  <MolWeight> (2,406)
484.58776

>  <PCAT_CMPD_ID> (2,406)
WAY-613197

>  <CNC_ID> (2,406)
359361220

>  <transfer_container_id> (2,406)
PTN000000069

>  <COMPOUND_NUMBER> (2,406)
WAY-613197

>  <LOCATION_CODE> (2,406)
PTNCS

>  <AMOUNT_CURRENT> (2,406)
32

$$$$
WAY-613206
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,407)
2409

>  <Formula> (2,407)
C13H11N3O2S2

>  <MolWeight> (2,407)
305.37534

>  <PCAT_CMPD_ID> (2,407)
WAY-613206

>  <CNC_ID> (2,407)
359361229

>  <transfer_container_id> (2,407)
PTN000000069

>  <COMPOUND_NUMBER> (2,407)
WAY-613206

>  <LOCATION_CODE> (2,407)
PTNCS

>  <AMOUNT_CURRENT> (2,407)
32.9

$$$$
WAY-630428
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,408)
2410

>  <Formula> (2,408)
C12H10ClN3S2

>  <MolWeight> (2,408)
295.8109

>  <PCAT_CMPD_ID> (2,408)
WAY-630428

>  <CNC_ID> (2,408)
359362947

>  <transfer_container_id> (2,408)
PTN000000069

>  <COMPOUND_NUMBER> (2,408)
WAY-630428

>  <LOCATION_CODE> (2,408)
PTNCS

>  <AMOUNT_CURRENT> (2,408)
32.5

$$$$
WAY-630756
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,409)
2411

>  <Formula> (2,409)
C27H27N5O

>  <MolWeight> (2,409)
437.53618

>  <PCAT_CMPD_ID> (2,409)
WAY-630756

>  <CNC_ID> (2,409)
359363275

>  <transfer_container_id> (2,409)
PTN000000069

>  <COMPOUND_NUMBER> (2,409)
WAY-630756

>  <LOCATION_CODE> (2,409)
PTNCS

>  <AMOUNT_CURRENT> (2,409)
33

$$$$
WAY-630922
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,410)
2412

>  <Formula> (2,410)
C20H20ClN3OS

>  <MolWeight> (2,410)
385.9103

>  <PCAT_CMPD_ID> (2,410)
WAY-630922

>  <CNC_ID> (2,410)
359363441

>  <transfer_container_id> (2,410)
PTN000000069

>  <COMPOUND_NUMBER> (2,410)
WAY-630922

>  <LOCATION_CODE> (2,410)
PTNCS

>  <AMOUNT_CURRENT> (2,410)
32.4

$$$$
WAY-630947
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 15  9  1  0  0  0  0
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 12  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,411)
2413

>  <Formula> (2,411)
C14H14O4S

>  <MolWeight> (2,411)
278.32356

>  <PCAT_CMPD_ID> (2,411)
WAY-630947

>  <CNC_ID> (2,411)
359363466

>  <transfer_container_id> (2,411)
PTN000000069

>  <COMPOUND_NUMBER> (2,411)
WAY-630947

>  <LOCATION_CODE> (2,411)
PTNCS

>  <AMOUNT_CURRENT> (2,411)
32.4

$$$$
WAY-630967
csChFnd80/10101909502D

 23 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,412)
2414

>  <Formula> (2,412)
C20H23NOS

>  <MolWeight> (2,412)
325.46772

>  <PCAT_CMPD_ID> (2,412)
WAY-630967

>  <CNC_ID> (2,412)
359363486

>  <transfer_container_id> (2,412)
PTN000000069

>  <COMPOUND_NUMBER> (2,412)
WAY-630967

>  <LOCATION_CODE> (2,412)
PTNCS

>  <AMOUNT_CURRENT> (2,412)
32

$$$$
WAY-631082
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,413)
2415

>  <Formula> (2,413)
C15H19N3O3

>  <MolWeight> (2,413)
289.32966

>  <PCAT_CMPD_ID> (2,413)
WAY-631082

>  <CNC_ID> (2,413)
359363602

>  <transfer_container_id> (2,413)
PTN000000069

>  <COMPOUND_NUMBER> (2,413)
WAY-631082

>  <LOCATION_CODE> (2,413)
PTNCS

>  <AMOUNT_CURRENT> (2,413)
32.5

$$$$
WAY-631463
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,414)
2416

>  <Formula> (2,414)
C16H13ClO6S

>  <MolWeight> (2,414)
368.78882

>  <PCAT_CMPD_ID> (2,414)
WAY-631463

>  <CNC_ID> (2,414)
359363983

>  <transfer_container_id> (2,414)
PTN000000069

>  <COMPOUND_NUMBER> (2,414)
WAY-631463

>  <LOCATION_CODE> (2,414)
PTNCS

>  <AMOUNT_CURRENT> (2,414)
32.9

$$$$
WAY-650242
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,415)
2417

>  <Formula> (2,415)
C15H14N4OS

>  <MolWeight> (2,415)
298.36286

>  <PCAT_CMPD_ID> (2,415)
WAY-650242

>  <CNC_ID> (2,415)
359365949

>  <transfer_container_id> (2,415)
PTN000000069

>  <COMPOUND_NUMBER> (2,415)
WAY-650242

>  <LOCATION_CODE> (2,415)
PTNCS

>  <AMOUNT_CURRENT> (2,415)
32.6

$$$$
WL-303191
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,416)
2418

>  <Formula> (2,416)
C6H8N2O2

>  <MolWeight> (2,416)
140.13992

>  <PCAT_CMPD_ID> (2,416)
WL-303191

>  <CNC_ID> (2,416)
359367359

>  <transfer_container_id> (2,416)
PTN000000069

>  <COMPOUND_NUMBER> (2,416)
WL-303191

>  <LOCATION_CODE> (2,416)
PTNCS

>  <AMOUNT_CURRENT> (2,416)
32.7

$$$$
WAY-124739
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,417)
2419

>  <Formula> (2,417)
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>  <MolWeight> (2,417)
161.20374

>  <PCAT_CMPD_ID> (2,417)
WAY-124739

>  <CNC_ID> (2,417)
359367680

>  <transfer_container_id> (2,417)
PTN000000070

>  <COMPOUND_NUMBER> (2,417)
WAY-124739

>  <LOCATION_CODE> (2,417)
PTNCS

>  <AMOUNT_CURRENT> (2,417)
32.6

$$$$
WAY-600808
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,418)
2420

>  <Formula> (2,418)
C10H16N2O4

>  <MolWeight> (2,418)
228.24504

>  <PCAT_CMPD_ID> (2,418)
WAY-600808

>  <CNC_ID> (2,418)
359374527

>  <transfer_container_id> (2,418)
PTN000000070

>  <COMPOUND_NUMBER> (2,418)
WAY-600808

>  <LOCATION_CODE> (2,418)
PTNCS

>  <AMOUNT_CURRENT> (2,418)
32.3

$$$$
WAY-632579
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,419)
2421

>  <Formula> (2,419)
C22H15N3O2

>  <MolWeight> (2,419)
353.3734

>  <PCAT_CMPD_ID> (2,419)
WAY-632579

>  <CNC_ID> (2,419)
359376695

>  <transfer_container_id> (2,419)
PTN000000070

>  <COMPOUND_NUMBER> (2,419)
WAY-632579

>  <LOCATION_CODE> (2,419)
PTNCS

>  <AMOUNT_CURRENT> (2,419)
32.8

$$$$
WAY-652983-A
csChFnd80/10101909502D

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 10  5  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
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 20 15  2  0  0  0  0
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  3  5  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,420)
2422

>  <Formula> (2,420)
C17H24ClN3

>  <MolWeight> (2,420)
305.84556

>  <PCAT_CMPD_ID> (2,420)
WAY-652983

>  <CNC_ID> (2,420)
359379863

>  <transfer_container_id> (2,420)
PTN000000070

>  <COMPOUND_NUMBER> (2,420)
WAY-652983

>  <LOCATION_CODE> (2,420)
PTNCS

>  <AMOUNT_CURRENT> (2,420)
32.6

$$$$
WAY-235102-A
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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 14 16  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,421)
2423

>  <Formula> (2,421)
C15H19N5O

>  <MolWeight> (2,421)
285.34426

>  <PCAT_CMPD_ID> (2,421)
WAY-235102

>  <CNC_ID> (2,421)
359380859

>  <transfer_container_id> (2,421)
PTN000000071

>  <COMPOUND_NUMBER> (2,421)
WAY-235102

>  <LOCATION_CODE> (2,421)
PTNCS

>  <AMOUNT_CURRENT> (2,421)
32.1

$$$$
WAY-272119
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  6  2  1  0  0  0  0
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  9  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  1  0  0  0  0
 14  7  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,422)
2424

>  <Formula> (2,422)
C10H13NO2S2

>  <MolWeight> (2,422)
243.34572

>  <PCAT_CMPD_ID> (2,422)
WAY-272119

>  <CNC_ID> (2,422)
359381642

>  <transfer_container_id> (2,422)
PTN000000071

>  <COMPOUND_NUMBER> (2,422)
WAY-272119

>  <LOCATION_CODE> (2,422)
PTNCS

>  <AMOUNT_CURRENT> (2,422)
32.5

$$$$
WAY-602555
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
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 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 17 14  2  0  0  0  0
 18 10  1  0  0  0  0
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 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
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 25 21  2  0  0  0  0
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 27 22  2  0  0  0  0
  8  9  1  0  0  0  0
 12 11  2  0  0  0  0
 24 20  2  0  0  0  0
 26 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,423)
2425

>  <Formula> (2,423)
C20H15FN4O2

>  <MolWeight> (2,423)
362.3571032

>  <PCAT_CMPD_ID> (2,423)
WAY-602555

>  <CNC_ID> (2,423)
359388501

>  <transfer_container_id> (2,423)
PTN000000071

>  <COMPOUND_NUMBER> (2,423)
WAY-602555

>  <LOCATION_CODE> (2,423)
PTNCS

>  <AMOUNT_CURRENT> (2,423)
32.6

$$$$
WAY-602388
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5875   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  4  6  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 10  2  0  0  0  0
 18 10  1  0  0  0  0
 19 21  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 13 12  2  0  0  0  0
  5  3  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,424)
2426

>  <Formula> (2,424)
C15H10F3NO3

>  <MolWeight> (2,424)
309.2400096

>  <PCAT_CMPD_ID> (2,424)
WAY-602388

>  <CNC_ID> (2,424)
359388336

>  <transfer_container_id> (2,424)
PTN000000071

>  <COMPOUND_NUMBER> (2,424)
WAY-602388

>  <LOCATION_CODE> (2,424)
PTNCS

>  <AMOUNT_CURRENT> (2,424)
32.2

$$$$
WAY-602394
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
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 20  7  1  0  0  0  0
 21  7  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  2  0  0  0  0
 25 23  2  0  0  0  0
 17 14  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,425)
2427

>  <Formula> (2,425)
C18H19F3O3S

>  <MolWeight> (2,425)
372.4018696

>  <PCAT_CMPD_ID> (2,425)
WAY-602394

>  <CNC_ID> (2,425)
359388342

>  <transfer_container_id> (2,425)
PTN000000071

>  <COMPOUND_NUMBER> (2,425)
WAY-602394

>  <LOCATION_CODE> (2,425)
PTNCS

>  <AMOUNT_CURRENT> (2,425)
32.9

$$$$
WAY-602753-A
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
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2428

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C15H20ClN3

>  <MolWeight> (2,426)
277.7924

>  <PCAT_CMPD_ID> (2,426)
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>  <CNC_ID> (2,426)
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>  <transfer_container_id> (2,426)
PTN000000071

>  <COMPOUND_NUMBER> (2,426)
WAY-602753

>  <LOCATION_CODE> (2,426)
PTNCS

>  <AMOUNT_CURRENT> (2,426)
32.3

$$$$
WAY-603011
csChFnd80/10101909502D

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>  <Formula> (2,427)
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408.3280096

>  <PCAT_CMPD_ID> (2,427)
WAY-603011

>  <CNC_ID> (2,427)
359388959

>  <transfer_container_id> (2,427)
PTN000000071

>  <COMPOUND_NUMBER> (2,427)
WAY-603011

>  <LOCATION_CODE> (2,427)
PTNCS

>  <AMOUNT_CURRENT> (2,427)
33

$$$$
WAY-603237
csChFnd80/10101909502D

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>  <PCAT_CMPD_ID> (2,428)
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>  <CNC_ID> (2,428)
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>  <transfer_container_id> (2,428)
PTN000000071

>  <COMPOUND_NUMBER> (2,428)
WAY-603237

>  <LOCATION_CODE> (2,428)
PTNCS

>  <AMOUNT_CURRENT> (2,428)
32

$$$$
WAY-603395
csChFnd80/10101909502D

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>  <Formula> (2,429)
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>  <LOCATION_CODE> (2,429)
PTNCS

>  <AMOUNT_CURRENT> (2,429)
32

$$$$
WAY-655420
csChFnd80/10101909502D

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 25  6  1  0  0  0  0
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 32 31  1  0  0  0  0
M  END
>  <Mol_ID> (2,430)
2432

>  <Formula> (2,430)
C25H20FNO5

>  <MolWeight> (2,430)
433.4284032

>  <PCAT_CMPD_ID> (2,430)
WAY-655420

>  <CNC_ID> (2,430)
359393660

>  <transfer_container_id> (2,430)
PTN000000071

>  <COMPOUND_NUMBER> (2,430)
WAY-655420

>  <LOCATION_CODE> (2,430)
PTNCS

>  <AMOUNT_CURRENT> (2,430)
32.6

$$$$
WAY-637016
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 12  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,431)
2433

>  <Formula> (2,431)
C22H21ClN2O4S

>  <MolWeight> (2,431)
444.93114

>  <PCAT_CMPD_ID> (2,431)
WAY-637016

>  <CNC_ID> (2,431)
359403995

>  <transfer_container_id> (2,431)
PTN000000072

>  <COMPOUND_NUMBER> (2,431)
WAY-637016

>  <LOCATION_CODE> (2,431)
PTNCS

>  <AMOUNT_CURRENT> (2,431)
32.5

$$$$
WAY-656160
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  4  1  0  0  0  0
 12 17  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16 13  1  0  0  0  0
 17  6  1  0  0  0  0
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 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,432)
2434

>  <Formula> (2,432)
C15H11ClN2O3S2

>  <MolWeight> (2,432)
366.84244

>  <PCAT_CMPD_ID> (2,432)
WAY-656160

>  <CNC_ID> (2,432)
359405875

>  <transfer_container_id> (2,432)
PTN000000072

>  <COMPOUND_NUMBER> (2,432)
WAY-656160

>  <LOCATION_CODE> (2,432)
PTNCS

>  <AMOUNT_CURRENT> (2,432)
32

$$$$
WAY-658150
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 15  3  1  0  0  0  0
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 22 16  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,433)
2435

>  <Formula> (2,433)
C19H20ClNO3

>  <MolWeight> (2,433)
345.82

>  <PCAT_CMPD_ID> (2,433)
WAY-658150

>  <CNC_ID> (2,433)
359418206

>  <transfer_container_id> (2,433)
PTN000000073

>  <COMPOUND_NUMBER> (2,433)
WAY-658150

>  <LOCATION_CODE> (2,433)
PTNCS

>  <AMOUNT_CURRENT> (2,433)
32.1

$$$$
WAY-659781
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,434)
2436

>  <Formula> (2,434)
C28H24N2O5

>  <MolWeight> (2,434)
468.50056

>  <PCAT_CMPD_ID> (2,434)
WAY-659781

>  <CNC_ID> (2,434)
359419834

>  <transfer_container_id> (2,434)
PTN000000073

>  <COMPOUND_NUMBER> (2,434)
WAY-659781

>  <LOCATION_CODE> (2,434)
PTNCS

>  <AMOUNT_CURRENT> (2,434)
32.8

$$$$
WAY-660413
csChFnd80/10101909502D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,435)
2437

>  <Formula> (2,435)
C6H7N3O2S

>  <MolWeight> (2,435)
185.20368

>  <PCAT_CMPD_ID> (2,435)
WAY-660413

>  <CNC_ID> (2,435)
359431652

>  <transfer_container_id> (2,435)
PTN000000074

>  <COMPOUND_NUMBER> (2,435)
WAY-660413

>  <LOCATION_CODE> (2,435)
PTNCS

>  <AMOUNT_CURRENT> (2,435)
32.4

$$$$
WAY-624070
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,436)
2438

>  <Formula> (2,436)
C16H18N4O2S2

>  <MolWeight> (2,436)
362.46972

>  <PCAT_CMPD_ID> (2,436)
WAY-624070

>  <CNC_ID> (2,436)
359322690

>  <transfer_container_id> (2,436)
PTN000000065

>  <COMPOUND_NUMBER> (2,436)
WAY-624070

>  <LOCATION_CODE> (2,436)
PTNCS

>  <AMOUNT_CURRENT> (2,436)
32

$$$$
WAY-312804
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,437)
2439

>  <Formula> (2,437)
C18H15ClN4OS

>  <MolWeight> (2,437)
370.8559

>  <PCAT_CMPD_ID> (2,437)
WAY-312804

>  <CNC_ID> (2,437)
359327841

>  <transfer_container_id> (2,437)
PTN000000067

>  <COMPOUND_NUMBER> (2,437)
WAY-312804

>  <LOCATION_CODE> (2,437)
PTNCS

>  <AMOUNT_CURRENT> (2,437)
33.5

$$$$
WAY-313027
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (2,438)
2440

>  <Formula> (2,438)
C16H16N2O2S

>  <MolWeight> (2,438)
300.37544

>  <PCAT_CMPD_ID> (2,438)
WAY-313027

>  <CNC_ID> (2,438)
359328064

>  <transfer_container_id> (2,438)
PTN000000067

>  <COMPOUND_NUMBER> (2,438)
WAY-313027

>  <LOCATION_CODE> (2,438)
PTNCS

>  <AMOUNT_CURRENT> (2,438)
33.6

$$$$
WAY-312662
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,439)
2441

>  <Formula> (2,439)
C16H12O3S

>  <MolWeight> (2,439)
284.32968

>  <PCAT_CMPD_ID> (2,439)
WAY-312662

>  <CNC_ID> (2,439)
359327699

>  <transfer_container_id> (2,439)
PTN000000067

>  <COMPOUND_NUMBER> (2,439)
WAY-312662

>  <LOCATION_CODE> (2,439)
PTNCS

>  <AMOUNT_CURRENT> (2,439)
33.5

$$$$
WAY-312947
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,440)
2442

>  <Formula> (2,440)
C20H13ClN2O5

>  <MolWeight> (2,440)
396.78062

>  <PCAT_CMPD_ID> (2,440)
WAY-312947

>  <CNC_ID> (2,440)
359327984

>  <transfer_container_id> (2,440)
PTN000000067

>  <COMPOUND_NUMBER> (2,440)
WAY-312947

>  <LOCATION_CODE> (2,440)
PTNCS

>  <AMOUNT_CURRENT> (2,440)
33.6

$$$$
WAY-297486
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,441)
2443

>  <Formula> (2,441)
C10H9N5O3S

>  <MolWeight> (2,441)
279.27516

>  <PCAT_CMPD_ID> (2,441)
WAY-297486

>  <CNC_ID> (2,441)
359343930

>  <transfer_container_id> (2,441)
PTN000000068

>  <COMPOUND_NUMBER> (2,441)
WAY-297486

>  <LOCATION_CODE> (2,441)
PTNCS

>  <AMOUNT_CURRENT> (2,441)
33.2

$$$$
WAY-297791
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,442)
2444

>  <Formula> (2,442)
C13H22N2O4

>  <MolWeight> (2,442)
270.32478

>  <PCAT_CMPD_ID> (2,442)
WAY-297791

>  <CNC_ID> (2,442)
359344235

>  <transfer_container_id> (2,442)
PTN000000068

>  <COMPOUND_NUMBER> (2,442)
WAY-297791

>  <LOCATION_CODE> (2,442)
PTNCS

>  <AMOUNT_CURRENT> (2,442)
33.2

$$$$
WAY-297794
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,443)
2445

>  <Formula> (2,443)
C10H11N3

>  <MolWeight> (2,443)
173.21444

>  <PCAT_CMPD_ID> (2,443)
WAY-297794

>  <CNC_ID> (2,443)
359344238

>  <transfer_container_id> (2,443)
PTN000000068

>  <COMPOUND_NUMBER> (2,443)
WAY-297794

>  <LOCATION_CODE> (2,443)
PTNCS

>  <AMOUNT_CURRENT> (2,443)
33.5

$$$$
WAY-297810
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,444)
2446

>  <Formula> (2,444)
C19H21N3OS

>  <MolWeight> (2,444)
339.45454

>  <PCAT_CMPD_ID> (2,444)
WAY-297810

>  <CNC_ID> (2,444)
359344254

>  <transfer_container_id> (2,444)
PTN000000068

>  <COMPOUND_NUMBER> (2,444)
WAY-297810

>  <LOCATION_CODE> (2,444)
PTNCS

>  <AMOUNT_CURRENT> (2,444)
33.3

$$$$
WAY-297688-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,445)
2447

>  <Formula> (2,445)
C17H18N2O5

>  <MolWeight> (2,445)
330.33522

>  <PCAT_CMPD_ID> (2,445)
WAY-297688-A

>  <CNC_ID> (2,445)
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>  <transfer_container_id> (2,445)
PTN000000068

>  <COMPOUND_NUMBER> (2,445)
WAY-297688-A

>  <LOCATION_CODE> (2,445)
PTNCS

>  <AMOUNT_CURRENT> (2,445)
33.2

$$$$
WAY-297947
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,446)
2448

>  <Formula> (2,446)
C7H5N3OS2

>  <MolWeight> (2,446)
211.2641

>  <PCAT_CMPD_ID> (2,446)
WAY-297947

>  <CNC_ID> (2,446)
359344391

>  <transfer_container_id> (2,446)
PTN000000068

>  <COMPOUND_NUMBER> (2,446)
WAY-297947

>  <LOCATION_CODE> (2,446)
PTNCS

>  <AMOUNT_CURRENT> (2,446)
33.1

$$$$
WAY-298357
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,447)
2449

>  <Formula> (2,447)
C16H15N5OS

>  <MolWeight> (2,447)
325.3882

>  <PCAT_CMPD_ID> (2,447)
WAY-298357

>  <CNC_ID> (2,447)
359357351

>  <transfer_container_id> (2,447)
PTN000000069

>  <COMPOUND_NUMBER> (2,447)
WAY-298357

>  <LOCATION_CODE> (2,447)
PTNCS

>  <AMOUNT_CURRENT> (2,447)
33.2

$$$$
WAY-298376
csChFnd80/10101909502D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,448)
2450

>  <Formula> (2,448)
C21H20ClN3O3

>  <MolWeight> (2,448)
397.8548

>  <PCAT_CMPD_ID> (2,448)
WAY-298376

>  <CNC_ID> (2,448)
359357370

>  <transfer_container_id> (2,448)
PTN000000069

>  <COMPOUND_NUMBER> (2,448)
WAY-298376

>  <LOCATION_CODE> (2,448)
PTNCS

>  <AMOUNT_CURRENT> (2,448)
33.2

$$$$
WAY-298401
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,449)
2451

>  <Formula> (2,449)
C22H17NO5

>  <MolWeight> (2,449)
375.37408

>  <PCAT_CMPD_ID> (2,449)
WAY-298401

>  <CNC_ID> (2,449)
359357395

>  <transfer_container_id> (2,449)
PTN000000069

>  <COMPOUND_NUMBER> (2,449)
WAY-298401

>  <LOCATION_CODE> (2,449)
PTNCS

>  <AMOUNT_CURRENT> (2,449)
33.1

$$$$
WAY-298459
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,450)
2452

>  <Formula> (2,450)
C21H17F4N3OS

>  <MolWeight> (2,450)
435.4377928

>  <PCAT_CMPD_ID> (2,450)
WAY-298459

>  <CNC_ID> (2,450)
359357453

>  <transfer_container_id> (2,450)
PTN000000069

>  <COMPOUND_NUMBER> (2,450)
WAY-298459

>  <LOCATION_CODE> (2,450)
PTNCS

>  <AMOUNT_CURRENT> (2,450)
33.2

$$$$
WAY-299625
csChFnd80/10101909502D

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 10 13  2  0  0  0  0
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 20 21  2  0  0  0  0
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M  END
>  <Mol_ID> (2,451)
2453

>  <Formula> (2,451)
C20H16N6

>  <MolWeight> (2,451)
340.38124

>  <PCAT_CMPD_ID> (2,451)
WAY-299625

>  <CNC_ID> (2,451)
359370302

>  <transfer_container_id> (2,451)
PTN000000070

>  <COMPOUND_NUMBER> (2,451)
WAY-299625

>  <LOCATION_CODE> (2,451)
PTNCS

>  <AMOUNT_CURRENT> (2,451)
33.4

$$$$
WAY-299657
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,452)
2454

>  <Formula> (2,452)
C17H12N2O6

>  <MolWeight> (2,452)
340.28698

>  <PCAT_CMPD_ID> (2,452)
WAY-299657

>  <CNC_ID> (2,452)
359370334

>  <transfer_container_id> (2,452)
PTN000000070

>  <COMPOUND_NUMBER> (2,452)
WAY-299657

>  <LOCATION_CODE> (2,452)
PTNCS

>  <AMOUNT_CURRENT> (2,452)
33

$$$$
WAY-299849
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,453)
2455

>  <Formula> (2,453)
C16H16N2O3S

>  <MolWeight> (2,453)
316.37484

>  <PCAT_CMPD_ID> (2,453)
WAY-299849

>  <CNC_ID> (2,453)
359370526

>  <transfer_container_id> (2,453)
PTN000000070

>  <COMPOUND_NUMBER> (2,453)
WAY-299849

>  <LOCATION_CODE> (2,453)
PTNCS

>  <AMOUNT_CURRENT> (2,453)
33.4

$$$$
WAY-301325
csChFnd80/10101909502D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,454)
2456

>  <Formula> (2,454)
C19H22N2O5

>  <MolWeight> (2,454)
358.38838

>  <PCAT_CMPD_ID> (2,454)
WAY-301325

>  <CNC_ID> (2,454)
359371664

>  <transfer_container_id> (2,454)
PTN000000070

>  <COMPOUND_NUMBER> (2,454)
WAY-301325

>  <LOCATION_CODE> (2,454)
PTNCS

>  <AMOUNT_CURRENT> (2,454)
33.3

$$$$
WAY-301583
csChFnd80/10101909502D

 25 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 11 18  1  0  0  0  0
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 13 14  1  0  0  0  0
 17 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,455)
2457

>  <Formula> (2,455)
C19H18N4OS

>  <MolWeight> (2,455)
350.43742

>  <PCAT_CMPD_ID> (2,455)
WAY-301583

>  <CNC_ID> (2,455)
359371921

>  <transfer_container_id> (2,455)
PTN000000070

>  <COMPOUND_NUMBER> (2,455)
WAY-301583

>  <LOCATION_CODE> (2,455)
PTNCS

>  <AMOUNT_CURRENT> (2,455)
33.3

$$$$
WAY-388391
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  9  1  0  0  0  0
 14 18  1  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
 17  2  1  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20  5  1  0  0  0  0
  5  3  1  0  0  0  0
  8 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,456)
2458

>  <Formula> (2,456)
C15H15BrFNO2

>  <MolWeight> (2,456)
340.1875032

>  <PCAT_CMPD_ID> (2,456)
WAY-388391

>  <CNC_ID> (2,456)
359372530

>  <transfer_container_id> (2,456)
PTN000000070

>  <COMPOUND_NUMBER> (2,456)
WAY-388391

>  <LOCATION_CODE> (2,456)
PTNCS

>  <AMOUNT_CURRENT> (2,456)
32.7

$$$$
WAY-388395
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.6000   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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  8  1  1  0  0  0  0
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 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15  6  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18 14  1  0  0  0  0
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 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
  5  3  2  0  0  0  0
 18 25  2  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,457)
2459

>  <Formula> (2,457)
C18H24N4O2S2

>  <MolWeight> (2,457)
392.53876

>  <PCAT_CMPD_ID> (2,457)
WAY-388395

>  <CNC_ID> (2,457)
359373420

>  <transfer_container_id> (2,457)
PTN000000070

>  <COMPOUND_NUMBER> (2,457)
WAY-388395

>  <LOCATION_CODE> (2,457)
PTNCS

>  <AMOUNT_CURRENT> (2,457)
32.7

$$$$
WAY-388469
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  2  0  0  0  0
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 13 21  2  0  0  0  0
 18 12  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,458)
2460

>  <Formula> (2,458)
C19H14INO

>  <MolWeight> (2,458)
399.22503

>  <PCAT_CMPD_ID> (2,458)
WAY-388469

>  <CNC_ID> (2,458)
359372607

>  <transfer_container_id> (2,458)
PTN000000070

>  <COMPOUND_NUMBER> (2,458)
WAY-388469

>  <LOCATION_CODE> (2,458)
PTNCS

>  <AMOUNT_CURRENT> (2,458)
32.1

$$$$
WAY-388508
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 15  2  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
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 17 12  1  0  0  0  0
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 21 20  2  0  0  0  0
  5  3  1  0  0  0  0
 19 21  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,459)
2461

>  <Formula> (2,459)
C15H11Cl2N3S

>  <MolWeight> (2,459)
336.23894

>  <PCAT_CMPD_ID> (2,459)
WAY-388508

>  <CNC_ID> (2,459)
359372646

>  <transfer_container_id> (2,459)
PTN000000070

>  <COMPOUND_NUMBER> (2,459)
WAY-388508

>  <LOCATION_CODE> (2,459)
PTNCS

>  <AMOUNT_CURRENT> (2,459)
32.9

$$$$
WAY-388515
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
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 14  6  1  0  0  0  0
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 20  3  1  0  0  0  0
 21  6  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 21 23  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,460)
2462

>  <Formula> (2,460)
C17H15BrClNO3

>  <MolWeight> (2,460)
396.6629

>  <PCAT_CMPD_ID> (2,460)
WAY-388515

>  <CNC_ID> (2,460)
359372653

>  <transfer_container_id> (2,460)
PTN000000070

>  <COMPOUND_NUMBER> (2,460)
WAY-388515

>  <LOCATION_CODE> (2,460)
PTNCS

>  <AMOUNT_CURRENT> (2,460)
32.8

$$$$
WAY-388570
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  5  1  1  0  0  0  0
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  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9  8  1  0  0  0  0
 10  1  2  0  0  0  0
 11 20  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14  8  2  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 24  1  0  0  0  0
 21  5  2  0  0  0  0
 22 19  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26  6  2  0  0  0  0
 27 13  1  0  0  0  0
 28 21  1  0  0  0  0
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 30 28  2  0  0  0  0
  3  4  2  0  0  0  0
 30 26  1  0  0  0  0
 25 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,461)
2463

>  <Formula> (2,461)
C20H19F3N4O3

>  <MolWeight> (2,461)
420.3850696

>  <PCAT_CMPD_ID> (2,461)
WAY-388570

>  <CNC_ID> (2,461)
359372708

>  <transfer_container_id> (2,461)
PTN000000070

>  <COMPOUND_NUMBER> (2,461)
WAY-388570

>  <LOCATION_CODE> (2,461)
PTNCS

>  <AMOUNT_CURRENT> (2,461)
33

$$$$
WAY-389234
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   14.1375  -11.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  6  2  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  2  2  0  0  0  0
 12 14  1  0  0  0  0
 13 10  1  0  0  0  0
 14 20  2  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
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 20 18  1  0  0  0  0
 21  6  1  0  0  0  0
 22  7  1  0  0  0  0
 23  8  1  0  0  0  0
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 25 24  1  0  0  0  0
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 23 25  2  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,462)
2464

>  <Formula> (2,462)
C19H18F2N2O2

>  <MolWeight> (2,462)
344.3552264

>  <PCAT_CMPD_ID> (2,462)
WAY-389234

>  <CNC_ID> (2,462)
359373359

>  <transfer_container_id> (2,462)
PTN000000070

>  <COMPOUND_NUMBER> (2,462)
WAY-389234

>  <LOCATION_CODE> (2,462)
PTNCS

>  <AMOUNT_CURRENT> (2,462)
32.8

$$$$
WAY-389235
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  7 11  2  0  0  0  0
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 10 12  1  0  0  0  0
 11  8  1  0  0  0  0
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 13  2  2  0  0  0  0
 14  6  2  0  0  0  0
 15  8  2  0  0  0  0
 16 15  1  0  0  0  0
 17  6  1  0  0  0  0
 18  1  1  0  0  0  0
 19  4  1  0  0  0  0
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 23 20  1  0  0  0  0
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 12  7  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,463)
2465

>  <Formula> (2,463)
C17H15N3O3

>  <MolWeight> (2,463)
309.3193

>  <PCAT_CMPD_ID> (2,463)
WAY-389235

>  <CNC_ID> (2,463)
359373360

>  <transfer_container_id> (2,463)
PTN000000070

>  <COMPOUND_NUMBER> (2,463)
WAY-389235

>  <LOCATION_CODE> (2,463)
PTNCS

>  <AMOUNT_CURRENT> (2,463)
32.7

$$$$
WAY-389274
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
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 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
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 21 20  2  0  0  0  0
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  5 12  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,464)
2466

>  <Formula> (2,464)
C14H16N4OS2

>  <MolWeight> (2,464)
320.43304

>  <PCAT_CMPD_ID> (2,464)
WAY-389274

>  <CNC_ID> (2,464)
359373399

>  <transfer_container_id> (2,464)
PTN000000070

>  <COMPOUND_NUMBER> (2,464)
WAY-389274

>  <LOCATION_CODE> (2,464)
PTNCS

>  <AMOUNT_CURRENT> (2,464)
32.8

$$$$
WAY-391083
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 16  6  1  0  0  0  0
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 18  9  1  0  0  0  0
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 18 22  2  0  0  0  0
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M  END
>  <Mol_ID> (2,465)
2467

>  <Formula> (2,465)
C18H17FN4OS

>  <MolWeight> (2,465)
356.4171832

>  <PCAT_CMPD_ID> (2,465)
WAY-391083

>  <CNC_ID> (2,465)
359386435

>  <transfer_container_id> (2,465)
PTN000000071

>  <COMPOUND_NUMBER> (2,465)
WAY-391083

>  <LOCATION_CODE> (2,465)
PTNCS

>  <AMOUNT_CURRENT> (2,465)
32.8

$$$$
WAY-322749
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 11  4  1  0  0  0  0
 12  4  2  0  0  0  0
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 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
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 19  8  1  0  0  0  0
 20  7  2  0  0  0  0
 21 13  1  0  0  0  0
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 26 24  2  0  0  0  0
  2  9  1  0  0  0  0
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 26 22  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,466)
2468

>  <Formula> (2,466)
C21H22N2O3

>  <MolWeight> (2,466)
350.41098

>  <PCAT_CMPD_ID> (2,466)
WAY-322749

>  <CNC_ID> (2,466)
359398822

>  <transfer_container_id> (2,466)
PTN000000076

>  <COMPOUND_NUMBER> (2,466)
WAY-322749

>  <LOCATION_CODE> (2,466)
PTNCS

>  <AMOUNT_CURRENT> (2,466)
32.6

$$$$
WAY-306091
csChFnd80/10101909502D

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 18 22  1  0  0  0  0
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 21 24  1  0  0  0  0
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  9 13  1  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,467)
2469

>  <Formula> (2,467)
C17H16N2O5

>  <MolWeight> (2,467)
328.31934

>  <PCAT_CMPD_ID> (2,467)
WAY-306091

>  <CNC_ID> (2,467)
359408592

>  <transfer_container_id> (2,467)
PTN000000073

>  <COMPOUND_NUMBER> (2,467)
WAY-306091

>  <LOCATION_CODE> (2,467)
PTNCS

>  <AMOUNT_CURRENT> (2,467)
33.7

$$$$
WAY-307174
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
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M  END
>  <Mol_ID> (2,468)
2470

>  <Formula> (2,468)
C19H19NO4S2

>  <MolWeight> (2,468)
389.48846

>  <PCAT_CMPD_ID> (2,468)
WAY-307174

>  <CNC_ID> (2,468)
359409673

>  <transfer_container_id> (2,468)
PTN000000073

>  <COMPOUND_NUMBER> (2,468)
WAY-307174

>  <LOCATION_CODE> (2,468)
PTNCS

>  <AMOUNT_CURRENT> (2,468)
33

$$$$
WAY-307234
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,469)
2471

>  <Formula> (2,469)
C19H16N2O5

>  <MolWeight> (2,469)
352.34074

>  <PCAT_CMPD_ID> (2,469)
WAY-307234

>  <CNC_ID> (2,469)
359409733

>  <transfer_container_id> (2,469)
PTN000000073

>  <COMPOUND_NUMBER> (2,469)
WAY-307234

>  <LOCATION_CODE> (2,469)
PTNCS

>  <AMOUNT_CURRENT> (2,469)
33.8

$$$$
WAY-228622
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,470)
2472

>  <Formula> (2,470)
C23H21NO2

>  <MolWeight> (2,470)
343.41834

>  <PCAT_CMPD_ID> (2,470)
WAY-228622

>  <CNC_ID> (2,470)
359420224

>  <transfer_container_id> (2,470)
PTN000000074

>  <COMPOUND_NUMBER> (2,470)
WAY-228622

>  <LOCATION_CODE> (2,470)
PTNCS

>  <AMOUNT_CURRENT> (2,470)
33.1

$$$$
WAY-228856
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,471)
2473

>  <Formula> (2,471)
C17H19ClN2O2

>  <MolWeight> (2,471)
318.79796

>  <PCAT_CMPD_ID> (2,471)
WAY-228856

>  <CNC_ID> (2,471)
359420226

>  <transfer_container_id> (2,471)
PTN000000074

>  <COMPOUND_NUMBER> (2,471)
WAY-228856

>  <LOCATION_CODE> (2,471)
PTNCS

>  <AMOUNT_CURRENT> (2,471)
33.6

$$$$
WAY-309465
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,472)
2474

>  <Formula> (2,472)
C20H19NO4

>  <MolWeight> (2,472)
337.36916

>  <PCAT_CMPD_ID> (2,472)
WAY-309465

>  <CNC_ID> (2,472)
359422317

>  <transfer_container_id> (2,472)
PTN000000074

>  <COMPOUND_NUMBER> (2,472)
WAY-309465

>  <LOCATION_CODE> (2,472)
PTNCS

>  <AMOUNT_CURRENT> (2,472)
33.7

$$$$
WAY-313145
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,473)
2475

>  <Formula> (2,473)
C22H16N2O7

>  <MolWeight> (2,473)
420.37164

>  <PCAT_CMPD_ID> (2,473)
WAY-313145

>  <CNC_ID> (2,473)
359328181

>  <transfer_container_id> (2,473)
PTN000000067

>  <COMPOUND_NUMBER> (2,473)
WAY-313145

>  <LOCATION_CODE> (2,473)
PTNCS

>  <AMOUNT_CURRENT> (2,473)
33.9

$$$$
WAY-313792
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,474)
2476

>  <Formula> (2,474)
C16H19N3O

>  <MolWeight> (2,474)
269.34156

>  <PCAT_CMPD_ID> (2,474)
WAY-313792

>  <CNC_ID> (2,474)
359328828

>  <transfer_container_id> (2,474)
PTN000000067

>  <COMPOUND_NUMBER> (2,474)
WAY-313792

>  <LOCATION_CODE> (2,474)
PTNCS

>  <AMOUNT_CURRENT> (2,474)
33

$$$$
WAY-313244
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
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M  END
>  <Mol_ID> (2,475)
2477

>  <Formula> (2,475)
C19H16O5S

>  <MolWeight> (2,475)
356.39234

>  <PCAT_CMPD_ID> (2,475)
WAY-313244

>  <CNC_ID> (2,475)
359328280

>  <transfer_container_id> (2,475)
PTN000000067

>  <COMPOUND_NUMBER> (2,475)
WAY-313244

>  <LOCATION_CODE> (2,475)
PTNCS

>  <AMOUNT_CURRENT> (2,475)
33.2

$$$$
WAY-313080
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,476)
2478

>  <Formula> (2,476)
C20H12ClN3O3

>  <MolWeight> (2,476)
377.78058

>  <PCAT_CMPD_ID> (2,476)
WAY-313080

>  <CNC_ID> (2,476)
359328116

>  <transfer_container_id> (2,476)
PTN000000067

>  <COMPOUND_NUMBER> (2,476)
WAY-313080

>  <LOCATION_CODE> (2,476)
PTNCS

>  <AMOUNT_CURRENT> (2,476)
33

$$$$
WAY-234286
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 15  3  1  0  0  0  0
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 12  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,477)
2479

>  <Formula> (2,477)
C14H17NO5

>  <MolWeight> (2,477)
279.28848

>  <PCAT_CMPD_ID> (2,477)
WAY-234286

>  <CNC_ID> (2,477)
359326901

>  <transfer_container_id> (2,477)
PTN000000067

>  <COMPOUND_NUMBER> (2,477)
WAY-234286

>  <LOCATION_CODE> (2,477)
PTNCS

>  <AMOUNT_CURRENT> (2,477)
33.4

$$$$
WAY-312653
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,478)
2480

>  <Formula> (2,478)
C11H16N2O2S

>  <MolWeight> (2,478)
240.32194

>  <PCAT_CMPD_ID> (2,478)
WAY-312653

>  <CNC_ID> (2,478)
359327690

>  <transfer_container_id> (2,478)
PTN000000067

>  <COMPOUND_NUMBER> (2,478)
WAY-312653

>  <LOCATION_CODE> (2,478)
PTNCS

>  <AMOUNT_CURRENT> (2,478)
33.4

$$$$
WAY-312933
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,479)
2481

>  <Formula> (2,479)
C14H20N2O2

>  <MolWeight> (2,479)
248.3208

>  <PCAT_CMPD_ID> (2,479)
WAY-312933

>  <CNC_ID> (2,479)
359327970

>  <transfer_container_id> (2,479)
PTN000000067

>  <COMPOUND_NUMBER> (2,479)
WAY-312933

>  <LOCATION_CODE> (2,479)
PTNCS

>  <AMOUNT_CURRENT> (2,479)
33.1

$$$$
WAY-227525
csChFnd80/10101909502D

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  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
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  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
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 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (2,480)
2482

>  <Formula> (2,480)
C16H14FNO

>  <MolWeight> (2,480)
255.2868632

>  <PCAT_CMPD_ID> (2,480)
WAY-227525

>  <CNC_ID> (2,480)
359326875

>  <transfer_container_id> (2,480)
PTN000000067

>  <COMPOUND_NUMBER> (2,480)
WAY-227525

>  <LOCATION_CODE> (2,480)
PTNCS

>  <AMOUNT_CURRENT> (2,480)
33.8

$$$$
WAY-313065
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 11 14  2  0  0  0  0
 13 15  2  0  0  0  0
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 18 21  1  0  0  0  0
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 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,481)
2483

>  <Formula> (2,481)
C16H19ClN8O

>  <MolWeight> (2,481)
374.82806

>  <PCAT_CMPD_ID> (2,481)
WAY-313065

>  <CNC_ID> (2,481)
359328102

>  <transfer_container_id> (2,481)
PTN000000067

>  <COMPOUND_NUMBER> (2,481)
WAY-313065

>  <LOCATION_CODE> (2,481)
PTNCS

>  <AMOUNT_CURRENT> (2,481)
33.2

$$$$
WL-365142
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  9 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,482)
2484

>  <Formula> (2,482)
C16H12FNO2

>  <MolWeight> (2,482)
269.2703832

>  <PCAT_CMPD_ID> (2,482)
WL-365142

>  <CNC_ID> (2,482)
359339827

>  <transfer_container_id> (2,482)
PTN000000067

>  <COMPOUND_NUMBER> (2,482)
WL-365142

>  <LOCATION_CODE> (2,482)
PTNCS

>  <AMOUNT_CURRENT> (2,482)
33

$$$$
CL-292738
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,483)
2485

>  <Formula> (2,483)
C9H10N2O2S

>  <MolWeight> (2,483)
210.2529

>  <PCAT_CMPD_ID> (2,483)
CL-292738

>  <CNC_ID> (2,483)
359339855

>  <transfer_container_id> (2,483)
PTN000000068

>  <COMPOUND_NUMBER> (2,483)
CL-292738

>  <LOCATION_CODE> (2,483)
PTNCS

>  <AMOUNT_CURRENT> (2,483)
33.1

$$$$
CL-426169
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 22 23  1  0  0  0  0
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 14 18  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,484)
2486

>  <Formula> (2,484)
C16H15N3O2S2

>  <MolWeight> (2,484)
345.4392

>  <PCAT_CMPD_ID> (2,484)
CL-426169

>  <CNC_ID> (2,484)
359339947

>  <transfer_container_id> (2,484)
PTN000000068

>  <COMPOUND_NUMBER> (2,484)
CL-426169

>  <LOCATION_CODE> (2,484)
PTNCS

>  <AMOUNT_CURRENT> (2,484)
33.1

$$$$
GI-556552
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,485)
2487

>  <Formula> (2,485)
C14H16N2

>  <MolWeight> (2,485)
212.29024

>  <PCAT_CMPD_ID> (2,485)
GI-556552

>  <CNC_ID> (2,485)
359339986

>  <transfer_container_id> (2,485)
PTN000000068

>  <COMPOUND_NUMBER> (2,485)
GI-556552

>  <LOCATION_CODE> (2,485)
PTNCS

>  <AMOUNT_CURRENT> (2,485)
33.5

$$$$
GI-558732
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,486)
2488

>  <Formula> (2,486)
C16H13NO2

>  <MolWeight> (2,486)
251.27992

>  <PCAT_CMPD_ID> (2,486)
GI-558732

>  <CNC_ID> (2,486)
359339989

>  <transfer_container_id> (2,486)
PTN000000068

>  <COMPOUND_NUMBER> (2,486)
GI-558732

>  <LOCATION_CODE> (2,486)
PTNCS

>  <AMOUNT_CURRENT> (2,486)
33.2

$$$$
WAY-118713-A
csChFnd80/10101909502D

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 13  3  1  0  0  0  0
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M  END
>  <Mol_ID> (2,487)
2489

>  <Formula> (2,487)
C14H26N2

>  <MolWeight> (2,487)
222.36964

>  <PCAT_CMPD_ID> (2,487)
WAY-118713-A

>  <CNC_ID> (2,487)
359340103

>  <transfer_container_id> (2,487)
PTN000000068

>  <COMPOUND_NUMBER> (2,487)
WAY-118713-A

>  <LOCATION_CODE> (2,487)
PTNCS

>  <AMOUNT_CURRENT> (2,487)
33.3

$$$$
WAY-226669
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,488)
2490

>  <Formula> (2,488)
C12H16N2O3

>  <MolWeight> (2,488)
236.26704

>  <PCAT_CMPD_ID> (2,488)
WAY-226669

>  <CNC_ID> (2,488)
359340186

>  <transfer_container_id> (2,488)
PTN000000068

>  <COMPOUND_NUMBER> (2,488)
WAY-226669

>  <LOCATION_CODE> (2,488)
PTNCS

>  <AMOUNT_CURRENT> (2,488)
33.2

$$$$
WAY-227102
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,489)
2491

>  <Formula> (2,489)
C16H22N2O2

>  <MolWeight> (2,489)
274.35808

>  <PCAT_CMPD_ID> (2,489)
WAY-227102

>  <CNC_ID> (2,489)
359340193

>  <transfer_container_id> (2,489)
PTN000000068

>  <COMPOUND_NUMBER> (2,489)
WAY-227102

>  <LOCATION_CODE> (2,489)
PTNCS

>  <AMOUNT_CURRENT> (2,489)
33.3

$$$$
WAY-233271
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,490)
2492

>  <Formula> (2,490)
C13H13NO2

>  <MolWeight> (2,490)
215.24782

>  <PCAT_CMPD_ID> (2,490)
WAY-233271

>  <CNC_ID> (2,490)
359340256

>  <transfer_container_id> (2,490)
PTN000000068

>  <COMPOUND_NUMBER> (2,490)
WAY-233271

>  <LOCATION_CODE> (2,490)
PTNCS

>  <AMOUNT_CURRENT> (2,490)
33

$$$$
WAY-237344
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 11  3  1  0  0  0  0
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M  END
>  <Mol_ID> (2,491)
2493

>  <Formula> (2,491)
C19H21ClN2O5

>  <MolWeight> (2,491)
392.83344

>  <PCAT_CMPD_ID> (2,491)
WAY-237344

>  <CNC_ID> (2,491)
359340310

>  <transfer_container_id> (2,491)
PTN000000068

>  <COMPOUND_NUMBER> (2,491)
WAY-237344

>  <LOCATION_CODE> (2,491)
PTNCS

>  <AMOUNT_CURRENT> (2,491)
33.2

$$$$
WAY-239229
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,492)
2494

>  <Formula> (2,492)
C14H12FN3O2

>  <MolWeight> (2,492)
273.2623832

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>  <CNC_ID> (2,492)
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>  <transfer_container_id> (2,492)
PTN000000068

>  <COMPOUND_NUMBER> (2,492)
WAY-239229

>  <LOCATION_CODE> (2,492)
PTNCS

>  <AMOUNT_CURRENT> (2,492)
33

$$$$
WAY-243304-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,493)
2495

>  <Formula> (2,493)
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>  <MolWeight> (2,493)
365.53334

>  <PCAT_CMPD_ID> (2,493)
WAY-243304-A

>  <CNC_ID> (2,493)
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>  <transfer_container_id> (2,493)
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>  <COMPOUND_NUMBER> (2,493)
WAY-243304-A

>  <LOCATION_CODE> (2,493)
PTNCS

>  <AMOUNT_CURRENT> (2,493)
33.3

$$$$
WAY-243580
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,494)
2496

>  <Formula> (2,494)
C16H15NO2S

>  <MolWeight> (2,494)
285.3608

>  <PCAT_CMPD_ID> (2,494)
WAY-243580

>  <CNC_ID> (2,494)
359340370

>  <transfer_container_id> (2,494)
PTN000000068

>  <COMPOUND_NUMBER> (2,494)
WAY-243580

>  <LOCATION_CODE> (2,494)
PTNCS

>  <AMOUNT_CURRENT> (2,494)
33.3

$$$$
WAY-296466
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,495)
2497

>  <Formula> (2,495)
C20H16N4O4S

>  <MolWeight> (2,495)
408.43044

>  <PCAT_CMPD_ID> (2,495)
WAY-296466

>  <CNC_ID> (2,495)
359342910

>  <transfer_container_id> (2,495)
PTN000000068

>  <COMPOUND_NUMBER> (2,495)
WAY-296466

>  <LOCATION_CODE> (2,495)
PTNCS

>  <AMOUNT_CURRENT> (2,495)
33.4

$$$$
WAY-296530
csChFnd80/10101909502D

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>  <Mol_ID> (2,496)
2498

>  <Formula> (2,496)
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>  <MolWeight> (2,496)
243.7099

>  <PCAT_CMPD_ID> (2,496)
WAY-296530

>  <CNC_ID> (2,496)
359342974

>  <transfer_container_id> (2,496)
PTN000000068

>  <COMPOUND_NUMBER> (2,496)
WAY-296530

>  <LOCATION_CODE> (2,496)
PTNCS

>  <AMOUNT_CURRENT> (2,496)
33.5

$$$$
WAY-296594
csChFnd80/10101909502D

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>  <Mol_ID> (2,497)
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>  <Formula> (2,497)
C16H18N2

>  <MolWeight> (2,497)
238.32752

>  <PCAT_CMPD_ID> (2,497)
WAY-296594

>  <CNC_ID> (2,497)
359343038

>  <transfer_container_id> (2,497)
PTN000000068

>  <COMPOUND_NUMBER> (2,497)
WAY-296594

>  <LOCATION_CODE> (2,497)
PTNCS

>  <AMOUNT_CURRENT> (2,497)
33.3

$$$$
WAY-296627
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 15 17  1  0  0  0  0
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M  END
>  <Mol_ID> (2,498)
2500

>  <Formula> (2,498)
C20H24N2O3S

>  <MolWeight> (2,498)
372.48116

>  <PCAT_CMPD_ID> (2,498)
WAY-296627

>  <CNC_ID> (2,498)
359343071

>  <transfer_container_id> (2,498)
PTN000000068

>  <COMPOUND_NUMBER> (2,498)
WAY-296627

>  <LOCATION_CODE> (2,498)
PTNCS

>  <AMOUNT_CURRENT> (2,498)
33.3

$$$$
WAY-296784
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 13 21  1  0  0  0  0
 16 22  1  0  0  0  0
 18 23  1  0  0  0  0
  7 11  1  0  0  0  0
 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,499)
2501

>  <Formula> (2,499)
C17H20N2O4

>  <MolWeight> (2,499)
316.3517

>  <PCAT_CMPD_ID> (2,499)
WAY-296784

>  <CNC_ID> (2,499)
359343228

>  <transfer_container_id> (2,499)
PTN000000068

>  <COMPOUND_NUMBER> (2,499)
WAY-296784

>  <LOCATION_CODE> (2,499)
PTNCS

>  <AMOUNT_CURRENT> (2,499)
33.4

$$$$
WAY-296893
csChFnd80/10101909502D

 27 31  0  0  0  0  0  0  0  0999 V2000
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 12 14  1  0  0  0  0
 17 19  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,500)
2502

>  <Formula> (2,500)
C21H18N6

>  <MolWeight> (2,500)
354.40782

>  <PCAT_CMPD_ID> (2,500)
WAY-296893

>  <CNC_ID> (2,500)
359343337

>  <transfer_container_id> (2,500)
PTN000000068

>  <COMPOUND_NUMBER> (2,500)
WAY-296893

>  <LOCATION_CODE> (2,500)
PTNCS

>  <AMOUNT_CURRENT> (2,500)
33.3

$$$$
WAY-297007
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 22 25  1  0  0  0  0
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M  END
>  <Mol_ID> (2,501)
2503

>  <Formula> (2,501)
C19H22F2N4O2

>  <MolWeight> (2,501)
376.4003864

>  <PCAT_CMPD_ID> (2,501)
WAY-297007

>  <CNC_ID> (2,501)
359343451

>  <transfer_container_id> (2,501)
PTN000000068

>  <COMPOUND_NUMBER> (2,501)
WAY-297007

>  <LOCATION_CODE> (2,501)
PTNCS

>  <AMOUNT_CURRENT> (2,501)
33.4

$$$$
WAY-297026
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,502)
2504

>  <Formula> (2,502)
C17H16N2O

>  <MolWeight> (2,502)
264.32174

>  <PCAT_CMPD_ID> (2,502)
WAY-297026

>  <CNC_ID> (2,502)
359343470

>  <transfer_container_id> (2,502)
PTN000000068

>  <COMPOUND_NUMBER> (2,502)
WAY-297026

>  <LOCATION_CODE> (2,502)
PTNCS

>  <AMOUNT_CURRENT> (2,502)
33.5

$$$$
WAY-297047
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,503)
2505

>  <Formula> (2,503)
C18H13N5OS

>  <MolWeight> (2,503)
347.39372

>  <PCAT_CMPD_ID> (2,503)
WAY-297047

>  <CNC_ID> (2,503)
359343491

>  <transfer_container_id> (2,503)
PTN000000068

>  <COMPOUND_NUMBER> (2,503)
WAY-297047

>  <LOCATION_CODE> (2,503)
PTNCS

>  <AMOUNT_CURRENT> (2,503)
33.1

$$$$
WAY-297055
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,504)
2506

>  <Formula> (2,504)
C16H16O5

>  <MolWeight> (2,504)
288.29524

>  <PCAT_CMPD_ID> (2,504)
WAY-297055

>  <CNC_ID> (2,504)
359343499

>  <transfer_container_id> (2,504)
PTN000000068

>  <COMPOUND_NUMBER> (2,504)
WAY-297055

>  <LOCATION_CODE> (2,504)
PTNCS

>  <AMOUNT_CURRENT> (2,504)
33.4

$$$$
WAY-297076
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 19 22  2  0  0  0  0
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M  END
>  <Mol_ID> (2,505)
2507

>  <Formula> (2,505)
C15H12N2O4S

>  <MolWeight> (2,505)
316.33178

>  <PCAT_CMPD_ID> (2,505)
WAY-297076

>  <CNC_ID> (2,505)
359343520

>  <transfer_container_id> (2,505)
PTN000000068

>  <COMPOUND_NUMBER> (2,505)
WAY-297076

>  <LOCATION_CODE> (2,505)
PTNCS

>  <AMOUNT_CURRENT> (2,505)
33.4

$$$$
WAY-297361
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,506)
2508

>  <Formula> (2,506)
C17H17N3O3S2

>  <MolWeight> (2,506)
375.46518

>  <PCAT_CMPD_ID> (2,506)
WAY-297361

>  <CNC_ID> (2,506)
359343805

>  <transfer_container_id> (2,506)
PTN000000068

>  <COMPOUND_NUMBER> (2,506)
WAY-297361

>  <LOCATION_CODE> (2,506)
PTNCS

>  <AMOUNT_CURRENT> (2,506)
33.3

$$$$
WAY-340825
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,507)
2509

>  <Formula> (2,507)
C18H13ClF3N3O

>  <MolWeight> (2,507)
379.7635296

>  <PCAT_CMPD_ID> (2,507)
WAY-340825

>  <CNC_ID> (2,507)
359425828

>  <transfer_container_id> (2,507)
PTN000000074

>  <COMPOUND_NUMBER> (2,507)
WAY-340825

>  <LOCATION_CODE> (2,507)
PTNCS

>  <AMOUNT_CURRENT> (2,507)
32.7

$$$$
CL-352840
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,508)
2510

>  <Formula> (2,508)
C17H16N2O2

>  <MolWeight> (2,508)
280.32114

>  <PCAT_CMPD_ID> (2,508)
CL-352840

>  <CNC_ID> (2,508)
359326705

>  <transfer_container_id> (2,508)
PTN000000067

>  <COMPOUND_NUMBER> (2,508)
CL-352840

>  <LOCATION_CODE> (2,508)
PTNCS

>  <AMOUNT_CURRENT> (2,508)
32

$$$$
WAY-625244
csChFnd80/10101909502D

 34 39  0  0  0  0  0  0  0  0999 V2000
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 17 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2,509)
2511

>  <Formula> (2,509)
C24H16ClN7OS

>  <MolWeight> (2,509)
485.94814

>  <PCAT_CMPD_ID> (2,509)
WAY-625244

>  <CNC_ID> (2,509)
359334053

>  <transfer_container_id> (2,509)
PTN000000067

>  <COMPOUND_NUMBER> (2,509)
WAY-625244

>  <LOCATION_CODE> (2,509)
PTNCS

>  <AMOUNT_CURRENT> (2,509)
33

$$$$
WAY-625940
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,510)
2512

>  <Formula> (2,510)
C22H19N3S

>  <MolWeight> (2,510)
357.47136

>  <PCAT_CMPD_ID> (2,510)
WAY-625940

>  <CNC_ID> (2,510)
359334749

>  <transfer_container_id> (2,510)
PTN000000067

>  <COMPOUND_NUMBER> (2,510)
WAY-625940

>  <LOCATION_CODE> (2,510)
PTNCS

>  <AMOUNT_CURRENT> (2,510)
33

$$$$
WAY-626000
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,511)
2513

>  <Formula> (2,511)
C20H24N2O5S

>  <MolWeight> (2,511)
404.47996

>  <PCAT_CMPD_ID> (2,511)
WAY-626000

>  <CNC_ID> (2,511)
359334809

>  <transfer_container_id> (2,511)
PTN000000067

>  <COMPOUND_NUMBER> (2,511)
WAY-626000

>  <LOCATION_CODE> (2,511)
PTNCS

>  <AMOUNT_CURRENT> (2,511)
32.3

$$$$
WAY-626265
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,512)
2514

>  <Formula> (2,512)
C15H21N3O5S

>  <MolWeight> (2,512)
355.40934

>  <PCAT_CMPD_ID> (2,512)
WAY-626265

>  <CNC_ID> (2,512)
359335074

>  <transfer_container_id> (2,512)
PTN000000067

>  <COMPOUND_NUMBER> (2,512)
WAY-626265

>  <LOCATION_CODE> (2,512)
PTNCS

>  <AMOUNT_CURRENT> (2,512)
32.9

$$$$
WAY-626338
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,513)
2515

>  <Formula> (2,513)
C20H22N6OS

>  <MolWeight> (2,513)
394.49328

>  <PCAT_CMPD_ID> (2,513)
WAY-626338

>  <CNC_ID> (2,513)
359335146

>  <transfer_container_id> (2,513)
PTN000000067

>  <COMPOUND_NUMBER> (2,513)
WAY-626338

>  <LOCATION_CODE> (2,513)
PTNCS

>  <AMOUNT_CURRENT> (2,513)
32.5

$$$$
WAY-626457
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,514)
2516

>  <Formula> (2,514)
C22H25N3O2S

>  <MolWeight> (2,514)
395.5178

>  <PCAT_CMPD_ID> (2,514)
WAY-626457

>  <CNC_ID> (2,514)
359335264

>  <transfer_container_id> (2,514)
PTN000000067

>  <COMPOUND_NUMBER> (2,514)
WAY-626457

>  <LOCATION_CODE> (2,514)
PTNCS

>  <AMOUNT_CURRENT> (2,514)
32.7

$$$$
WAY-626745
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 15  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,515)
2517

>  <Formula> (2,515)
C18H18BrClN2O2

>  <MolWeight> (2,515)
409.70472

>  <PCAT_CMPD_ID> (2,515)
WAY-626745

>  <CNC_ID> (2,515)
359335551

>  <transfer_container_id> (2,515)
PTN000000067

>  <COMPOUND_NUMBER> (2,515)
WAY-626745

>  <LOCATION_CODE> (2,515)
PTNCS

>  <AMOUNT_CURRENT> (2,515)
32.7

$$$$
WAY-627513
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,516)
2518

>  <Formula> (2,516)
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>  <MolWeight> (2,516)
331.80002

>  <PCAT_CMPD_ID> (2,516)
WAY-627513

>  <CNC_ID> (2,516)
359336317

>  <transfer_container_id> (2,516)
PTN000000067

>  <COMPOUND_NUMBER> (2,516)
WAY-627513

>  <LOCATION_CODE> (2,516)
PTNCS

>  <AMOUNT_CURRENT> (2,516)
32.6

$$$$
WAY-627520
csChFnd80/10101909502D

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 15  7  1  0  0  0  0
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 10  3  1  0  0  0  0
 12 18  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,517)
2519

>  <Formula> (2,517)
C18H16N2O2

>  <MolWeight> (2,517)
292.33184

>  <PCAT_CMPD_ID> (2,517)
WAY-627520

>  <CNC_ID> (2,517)
359336324

>  <transfer_container_id> (2,517)
PTN000000067

>  <COMPOUND_NUMBER> (2,517)
WAY-627520

>  <LOCATION_CODE> (2,517)
PTNCS

>  <AMOUNT_CURRENT> (2,517)
32.5

$$$$
WAY-644286
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 11  6  2  0  0  0  0
 12 20  2  0  0  0  0
 13  1  1  0  0  0  0
 14  3  1  0  0  0  0
 15  1  2  0  0  0  0
 16 23  1  0  0  0  0
 17  3  2  0  0  0  0
 18  8  1  0  0  0  0
 19 21  2  0  0  0  0
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 16  5  2  0  0  0  0
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M  END
>  <Mol_ID> (2,518)
2520

>  <Formula> (2,518)
C20H19N3O4

>  <MolWeight> (2,518)
365.38256

>  <PCAT_CMPD_ID> (2,518)
WAY-644286

>  <CNC_ID> (2,518)
359336958

>  <transfer_container_id> (2,518)
PTN000000067

>  <COMPOUND_NUMBER> (2,518)
WAY-644286

>  <LOCATION_CODE> (2,518)
PTNCS

>  <AMOUNT_CURRENT> (2,518)
32.6

$$$$
WAY-644599
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,519)
2521

>  <Formula> (2,519)
C16H14N4O3S

>  <MolWeight> (2,519)
342.37236

>  <PCAT_CMPD_ID> (2,519)
WAY-644599

>  <CNC_ID> (2,519)
359337271

>  <transfer_container_id> (2,519)
PTN000000067

>  <COMPOUND_NUMBER> (2,519)
WAY-644599

>  <LOCATION_CODE> (2,519)
PTNCS

>  <AMOUNT_CURRENT> (2,519)
32

$$$$
WAY-645438
csChFnd80/10101909502D

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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (2,520)
2522

>  <Formula> (2,520)
C20H18N4O3

>  <MolWeight> (2,520)
362.38192

>  <PCAT_CMPD_ID> (2,520)
WAY-645438

>  <CNC_ID> (2,520)
359338110

>  <transfer_container_id> (2,520)
PTN000000067

>  <COMPOUND_NUMBER> (2,520)
WAY-645438

>  <LOCATION_CODE> (2,520)
PTNCS

>  <AMOUNT_CURRENT> (2,520)
32.9

$$$$
WAY-645672
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,521)
2523

>  <Formula> (2,521)
C14H15NO2S

>  <MolWeight> (2,521)
261.3394

>  <PCAT_CMPD_ID> (2,521)
WAY-645672

>  <CNC_ID> (2,521)
359338344

>  <transfer_container_id> (2,521)
PTN000000067

>  <COMPOUND_NUMBER> (2,521)
WAY-645672

>  <LOCATION_CODE> (2,521)
PTNCS

>  <AMOUNT_CURRENT> (2,521)
32.2

$$$$
WAY-645981
csChFnd80/10101909502D

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 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
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 21 15  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,522)
2524

>  <Formula> (2,522)
C20H15ClFNO

>  <MolWeight> (2,522)
339.7906032

>  <PCAT_CMPD_ID> (2,522)
WAY-645981

>  <CNC_ID> (2,522)
359338654

>  <transfer_container_id> (2,522)
PTN000000067

>  <COMPOUND_NUMBER> (2,522)
WAY-645981

>  <LOCATION_CODE> (2,522)
PTNCS

>  <AMOUNT_CURRENT> (2,522)
33

$$$$
WAY-646421
csChFnd80/10101909502D

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 17  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,523)
2525

>  <Formula> (2,523)
C18H24ClN3O3

>  <MolWeight> (2,523)
365.85446

>  <PCAT_CMPD_ID> (2,523)
WAY-646421

>  <CNC_ID> (2,523)
359339094

>  <transfer_container_id> (2,523)
PTN000000067

>  <COMPOUND_NUMBER> (2,523)
WAY-646421

>  <LOCATION_CODE> (2,523)
PTNCS

>  <AMOUNT_CURRENT> (2,523)
33

$$$$
WAY-646575
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,524)
2526

>  <Formula> (2,524)
C20H19NO5

>  <MolWeight> (2,524)
353.36856

>  <PCAT_CMPD_ID> (2,524)
WAY-646575

>  <CNC_ID> (2,524)
359339248

>  <transfer_container_id> (2,524)
PTN000000067

>  <COMPOUND_NUMBER> (2,524)
WAY-646575

>  <LOCATION_CODE> (2,524)
PTNCS

>  <AMOUNT_CURRENT> (2,524)
32.2

$$$$
WAY-277060
csChFnd80/10101909502D

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  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (2,525)
2527

>  <Formula> (2,525)
C19H29N3OS

>  <MolWeight> (2,525)
347.51806

>  <PCAT_CMPD_ID> (2,525)
WAY-277060

>  <CNC_ID> (2,525)
359341607

>  <transfer_container_id> (2,525)
PTN000000068

>  <COMPOUND_NUMBER> (2,525)
WAY-277060

>  <LOCATION_CODE> (2,525)
PTNCS

>  <AMOUNT_CURRENT> (2,525)
32.5

$$$$
WAY-277063
csChFnd80/10101909502D

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 29 28  2  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,526)
2528

>  <Formula> (2,526)
C23H22BrNO4

>  <MolWeight> (2,526)
456.32908

>  <PCAT_CMPD_ID> (2,526)
WAY-277063

>  <CNC_ID> (2,526)
359341610

>  <transfer_container_id> (2,526)
PTN000000068

>  <COMPOUND_NUMBER> (2,526)
WAY-277063

>  <LOCATION_CODE> (2,526)
PTNCS

>  <AMOUNT_CURRENT> (2,526)
32.5

$$$$
WAY-277067
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,527)
2529

>  <Formula> (2,527)
C22H19NO2

>  <MolWeight> (2,527)
329.39176

>  <PCAT_CMPD_ID> (2,527)
WAY-277067

>  <CNC_ID> (2,527)
359341614

>  <transfer_container_id> (2,527)
PTN000000068

>  <COMPOUND_NUMBER> (2,527)
WAY-277067

>  <LOCATION_CODE> (2,527)
PTNCS

>  <AMOUNT_CURRENT> (2,527)
32.5

$$$$
WAY-277940
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,528)
2530

>  <Formula> (2,528)
C14H19NO2

>  <MolWeight> (2,528)
233.30616

>  <PCAT_CMPD_ID> (2,528)
WAY-277940

>  <CNC_ID> (2,528)
359342485

>  <transfer_container_id> (2,528)
PTN000000068

>  <COMPOUND_NUMBER> (2,528)
WAY-277940

>  <LOCATION_CODE> (2,528)
PTNCS

>  <AMOUNT_CURRENT> (2,528)
32.5

$$$$
WAY-112529
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,529)
2531

>  <Formula> (2,529)
C14H6BrNO3

>  <MolWeight> (2,529)
316.10634

>  <PCAT_CMPD_ID> (2,529)
WAY-112529

>  <CNC_ID> (2,529)
359313678

>  <transfer_container_id> (2,529)
PTN000000065

>  <COMPOUND_NUMBER> (2,529)
WAY-112529

>  <LOCATION_CODE> (2,529)
PTNCS

>  <AMOUNT_CURRENT> (2,529)
33.9

$$$$
WAY-311281
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,530)
2532

>  <Formula> (2,530)
C16H11BrN2O2S

>  <MolWeight> (2,530)
375.23974

>  <PCAT_CMPD_ID> (2,530)
WAY-311281

>  <CNC_ID> (2,530)
359315022

>  <transfer_container_id> (2,530)
PTN000000065

>  <COMPOUND_NUMBER> (2,530)
WAY-311281

>  <LOCATION_CODE> (2,530)
PTNCS

>  <AMOUNT_CURRENT> (2,530)
33.6

$$$$
WAY-240453-A
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,531)
2533

>  <Formula> (2,531)
C15H21NO

>  <MolWeight> (2,531)
231.33334

>  <PCAT_CMPD_ID> (2,531)
WAY-240453-A

>  <CNC_ID> (2,531)
359313980

>  <transfer_container_id> (2,531)
PTN000000065

>  <COMPOUND_NUMBER> (2,531)
WAY-240453-A

>  <LOCATION_CODE> (2,531)
PTNCS

>  <AMOUNT_CURRENT> (2,531)
33.8

$$$$
WAY-312357
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
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  9 14  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
 17 19  2  0  0  0  0
  8 11  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,532)
2534

>  <Formula> (2,532)
C13H12N2O3S

>  <MolWeight> (2,532)
276.31098

>  <PCAT_CMPD_ID> (2,532)
WAY-312357

>  <CNC_ID> (2,532)
359316097

>  <transfer_container_id> (2,532)
PTN000000065

>  <COMPOUND_NUMBER> (2,532)
WAY-312357

>  <LOCATION_CODE> (2,532)
PTNCS

>  <AMOUNT_CURRENT> (2,532)
33.6

$$$$
WAY-344205
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2  6  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6 10  2  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  1  1  0  0  0  0
 15  5  1  0  0  0  0
 16 20  2  0  0  0  0
 17 14  1  0  0  0  0
 18  7  2  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 15  2  0  0  0  0
 24 15  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 19  9  1  0  0  0  0
 16  6  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,533)
2535

>  <Formula> (2,533)
C19H21N3O3S2

>  <MolWeight> (2,533)
403.51834

>  <PCAT_CMPD_ID> (2,533)
WAY-344205

>  <CNC_ID> (2,533)
359319540

>  <transfer_container_id> (2,533)
PTN000000065

>  <COMPOUND_NUMBER> (2,533)
WAY-344205

>  <LOCATION_CODE> (2,533)
PTNCS

>  <AMOUNT_CURRENT> (2,533)
32.5

$$$$
WAY-345065
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6 17  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  2  0  0  0  0
 14 12  2  0  0  0  0
 15  3  2  0  0  0  0
 16  2  1  0  0  0  0
 17 16  1  0  0  0  0
 18 10  2  0  0  0  0
 19  4  1  0  0  0  0
 20 12  1  0  0  0  0
 21 14  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
  7  8  1  0  0  0  0
  9  3  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,534)
2536

>  <Formula> (2,534)
C16H18N4O2S

>  <MolWeight> (2,534)
330.40472

>  <PCAT_CMPD_ID> (2,534)
WAY-345065

>  <CNC_ID> (2,534)
359320375

>  <transfer_container_id> (2,534)
PTN000000065

>  <COMPOUND_NUMBER> (2,534)
WAY-345065

>  <LOCATION_CODE> (2,534)
PTNCS

>  <AMOUNT_CURRENT> (2,534)
32.8

$$$$
WAY-344611
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  1  1  0  0  0  0
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  7  3  2  0  0  0  0
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  9  3  1  0  0  0  0
 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15  4  1  0  0  0  0
 16  1  1  0  0  0  0
 17  9  2  0  0  0  0
 18 12  2  0  0  0  0
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 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
  6  5  1  0  0  0  0
  8 12  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,535)
2537

>  <Formula> (2,535)
C15H16N4O2S

>  <MolWeight> (2,535)
316.37814

>  <PCAT_CMPD_ID> (2,535)
WAY-344611

>  <CNC_ID> (2,535)
359319928

>  <transfer_container_id> (2,535)
PTN000000065

>  <COMPOUND_NUMBER> (2,535)
WAY-344611

>  <LOCATION_CODE> (2,535)
PTNCS

>  <AMOUNT_CURRENT> (2,535)
32.4

$$$$
WAY-310548
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
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 10 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 15 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,536)
2538

>  <Formula> (2,536)
C20H17N3O2

>  <MolWeight> (2,536)
331.36788

>  <PCAT_CMPD_ID> (2,536)
WAY-310548

>  <CNC_ID> (2,536)
359314289

>  <transfer_container_id> (2,536)
PTN000000065

>  <COMPOUND_NUMBER> (2,536)
WAY-310548

>  <LOCATION_CODE> (2,536)
PTNCS

>  <AMOUNT_CURRENT> (2,536)
33.5

$$$$
WAY-311530
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,537)
2539

>  <Formula> (2,537)
C19H24N2

>  <MolWeight> (2,537)
280.40726

>  <PCAT_CMPD_ID> (2,537)
WAY-311530

>  <CNC_ID> (2,537)
359315271

>  <transfer_container_id> (2,537)
PTN000000065

>  <COMPOUND_NUMBER> (2,537)
WAY-311530

>  <LOCATION_CODE> (2,537)
PTNCS

>  <AMOUNT_CURRENT> (2,537)
33.5

$$$$
WAY-311101
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (2,538)
2540

>  <Formula> (2,538)
C27H30N2O2

>  <MolWeight> (2,538)
414.5393

>  <PCAT_CMPD_ID> (2,538)
WAY-311101

>  <CNC_ID> (2,538)
359314842

>  <transfer_container_id> (2,538)
PTN000000065

>  <COMPOUND_NUMBER> (2,538)
WAY-311101

>  <LOCATION_CODE> (2,538)
PTNCS

>  <AMOUNT_CURRENT> (2,538)
33.3

$$$$
WAY-345260
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11  7  2  0  0  0  0
 12  1  1  0  0  0  0
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 18  6  1  0  0  0  0
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 21 14  2  0  0  0  0
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M  END
>  <Mol_ID> (2,539)
2541

>  <Formula> (2,539)
C17H17NO4

>  <MolWeight> (2,539)
299.32118

>  <PCAT_CMPD_ID> (2,539)
WAY-345260

>  <CNC_ID> (2,539)
359320552

>  <transfer_container_id> (2,539)
PTN000000065

>  <COMPOUND_NUMBER> (2,539)
WAY-345260

>  <LOCATION_CODE> (2,539)
PTNCS

>  <AMOUNT_CURRENT> (2,539)
32.2

$$$$
WAY-312045
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,540)
2542

>  <Formula> (2,540)
C17H15N3OS

>  <MolWeight> (2,540)
309.3855

>  <PCAT_CMPD_ID> (2,540)
WAY-312045

>  <CNC_ID> (2,540)
359315786

>  <transfer_container_id> (2,540)
PTN000000065

>  <COMPOUND_NUMBER> (2,540)
WAY-312045

>  <LOCATION_CODE> (2,540)
PTNCS

>  <AMOUNT_CURRENT> (2,540)
33.2

$$$$
WAY-344895
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
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 14  9  2  0  0  0  0
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  4  5  1  0  0  0  0
 23 20  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,541)
2543

>  <Formula> (2,541)
C17H14FN3OS2

>  <MolWeight> (2,541)
359.4409632

>  <PCAT_CMPD_ID> (2,541)
WAY-344895

>  <CNC_ID> (2,541)
359320206

>  <transfer_container_id> (2,541)
PTN000000065

>  <COMPOUND_NUMBER> (2,541)
WAY-344895

>  <LOCATION_CODE> (2,541)
PTNCS

>  <AMOUNT_CURRENT> (2,541)
32.7

$$$$
WAY-310632
csChFnd80/10101909502D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,542)
2544

>  <Formula> (2,542)
C22H15Cl2N3O3

>  <MolWeight> (2,542)
440.2788

>  <PCAT_CMPD_ID> (2,542)
WAY-310632

>  <CNC_ID> (2,542)
359314373

>  <transfer_container_id> (2,542)
PTN000000065

>  <COMPOUND_NUMBER> (2,542)
WAY-310632

>  <LOCATION_CODE> (2,542)
PTNCS

>  <AMOUNT_CURRENT> (2,542)
33.6

$$$$
WAY-310622
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,543)
2545

>  <Formula> (2,543)
C20H22ClFN2O3S

>  <MolWeight> (2,543)
424.9166832

>  <PCAT_CMPD_ID> (2,543)
WAY-310622

>  <CNC_ID> (2,543)
359314363

>  <transfer_container_id> (2,543)
PTN000000065

>  <COMPOUND_NUMBER> (2,543)
WAY-310622

>  <LOCATION_CODE> (2,543)
PTNCS

>  <AMOUNT_CURRENT> (2,543)
33.3

$$$$
WAY-311992
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,544)
2546

>  <Formula> (2,544)
C24H25FN2O2

>  <MolWeight> (2,544)
392.4659032

>  <PCAT_CMPD_ID> (2,544)
WAY-311992

>  <CNC_ID> (2,544)
359315733

>  <transfer_container_id> (2,544)
PTN000000065

>  <COMPOUND_NUMBER> (2,544)
WAY-311992

>  <LOCATION_CODE> (2,544)
PTNCS

>  <AMOUNT_CURRENT> (2,544)
33.4

$$$$
WAY-310734
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,545)
2547

>  <Formula> (2,545)
C12H15NO5

>  <MolWeight> (2,545)
253.2512

>  <PCAT_CMPD_ID> (2,545)
WAY-310734

>  <CNC_ID> (2,545)
359314475

>  <transfer_container_id> (2,545)
PTN000000065

>  <COMPOUND_NUMBER> (2,545)
WAY-310734

>  <LOCATION_CODE> (2,545)
PTNCS

>  <AMOUNT_CURRENT> (2,545)
33.8

$$$$
WAY-310893
csChFnd80/10101909502D

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 20  9  1  0  0  0  0
 21  6  1  0  0  0  0
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 27 21  1  0  0  0  0
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  5  2  1  0  0  0  0
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 14 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,546)
2548

>  <Formula> (2,546)
C21H18N2O5

>  <MolWeight> (2,546)
378.37802

>  <PCAT_CMPD_ID> (2,546)
WAY-310893

>  <CNC_ID> (2,546)
359314635

>  <transfer_container_id> (2,546)
PTN000000065

>  <COMPOUND_NUMBER> (2,546)
WAY-310893

>  <LOCATION_CODE> (2,546)
PTNCS

>  <AMOUNT_CURRENT> (2,546)
33.6

$$$$
WAY-344438
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 15  6  2  0  0  0  0
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  5  7  1  0  0  0  0
 23 19  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,547)
2549

>  <Formula> (2,547)
C17H16N2O4

>  <MolWeight> (2,547)
312.31994

>  <PCAT_CMPD_ID> (2,547)
WAY-344438

>  <CNC_ID> (2,547)
359319772

>  <transfer_container_id> (2,547)
PTN000000065

>  <COMPOUND_NUMBER> (2,547)
WAY-344438

>  <LOCATION_CODE> (2,547)
PTNCS

>  <AMOUNT_CURRENT> (2,547)
32.4

$$$$
WAY-313239
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.3317    0.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,548)
2550

>  <Formula> (2,548)
C8H9N3O2S2

>  <MolWeight> (2,548)
243.30596

>  <PCAT_CMPD_ID> (2,548)
WAY-313239

>  <CNC_ID> (2,548)
359328275

>  <transfer_container_id> (2,548)
PTN000000067

>  <COMPOUND_NUMBER> (2,548)
WAY-313239

>  <LOCATION_CODE> (2,548)
PTNCS

>  <AMOUNT_CURRENT> (2,548)
33.7

$$$$
WAY-344277
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.6292   -7.7625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 16  2  2  0  0  0  0
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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (2,549)
2551

>  <Formula> (2,549)
C18H19FN2O3S

>  <MolWeight> (2,549)
362.4184632

>  <PCAT_CMPD_ID> (2,549)
WAY-344277

>  <CNC_ID> (2,549)
359319615

>  <transfer_container_id> (2,549)
PTN000000065

>  <COMPOUND_NUMBER> (2,549)
WAY-344277

>  <LOCATION_CODE> (2,549)
PTNCS

>  <AMOUNT_CURRENT> (2,549)
32.7

$$$$
WAY-313279
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 16 18  2  0  0  0  0
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  9 12  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,550)
2552

>  <Formula> (2,550)
C14H10ClNO2

>  <MolWeight> (2,550)
259.6877

>  <PCAT_CMPD_ID> (2,550)
WAY-313279

>  <CNC_ID> (2,550)
359328315

>  <transfer_container_id> (2,550)
PTN000000067

>  <COMPOUND_NUMBER> (2,550)
WAY-313279

>  <LOCATION_CODE> (2,550)
PTNCS

>  <AMOUNT_CURRENT> (2,550)
33.4

$$$$
WAY-344861
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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 21 26  1  0  0  0  0
  9  6  2  0  0  0  0
M  END
>  <Mol_ID> (2,551)
2553

>  <Formula> (2,551)
C19H20N2O5

>  <MolWeight> (2,551)
356.3725

>  <PCAT_CMPD_ID> (2,551)
WAY-344861

>  <CNC_ID> (2,551)
359320172

>  <transfer_container_id> (2,551)
PTN000000065

>  <COMPOUND_NUMBER> (2,551)
WAY-344861

>  <LOCATION_CODE> (2,551)
PTNCS

>  <AMOUNT_CURRENT> (2,551)
32.2

$$$$
WL-186444
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,552)
2554

>  <Formula> (2,552)
C17H11ClN2O2S

>  <MolWeight> (2,552)
342.79944

>  <PCAT_CMPD_ID> (2,552)
WL-186444

>  <CNC_ID> (2,552)
359326672

>  <transfer_container_id> (2,552)
PTN000000065

>  <COMPOUND_NUMBER> (2,552)
WL-186444

>  <LOCATION_CODE> (2,552)
PTNCS

>  <AMOUNT_CURRENT> (2,552)
33.8

$$$$
WAY-310714
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,553)
2555

>  <Formula> (2,553)
C9H8N2O3

>  <MolWeight> (2,553)
192.17142

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WAY-310714

>  <CNC_ID> (2,553)
359314455

>  <transfer_container_id> (2,553)
PTN000000065

>  <COMPOUND_NUMBER> (2,553)
WAY-310714

>  <LOCATION_CODE> (2,553)
PTNCS

>  <AMOUNT_CURRENT> (2,553)
33.2

$$$$
WAY-311952
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,554)
2556

>  <Formula> (2,554)
C16H13ClN2OS

>  <MolWeight> (2,554)
316.80522

>  <PCAT_CMPD_ID> (2,554)
WAY-311952

>  <CNC_ID> (2,554)
359315693

>  <transfer_container_id> (2,554)
PTN000000065

>  <COMPOUND_NUMBER> (2,554)
WAY-311952

>  <LOCATION_CODE> (2,554)
PTNCS

>  <AMOUNT_CURRENT> (2,554)
33.7

$$$$
WAY-313267
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (2,555)
2557

>  <Formula> (2,555)
C17H9BrN2O3S

>  <MolWeight> (2,555)
401.23396

>  <PCAT_CMPD_ID> (2,555)
WAY-313267

>  <CNC_ID> (2,555)
359328303

>  <transfer_container_id> (2,555)
PTN000000067

>  <COMPOUND_NUMBER> (2,555)
WAY-313267

>  <LOCATION_CODE> (2,555)
PTNCS

>  <AMOUNT_CURRENT> (2,555)
33.5

$$$$
WAY-344659
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,556)
2558

>  <Formula> (2,556)
C16H17NO3

>  <MolWeight> (2,556)
271.31108

>  <PCAT_CMPD_ID> (2,556)
WAY-344659

>  <CNC_ID> (2,556)
359319973

>  <transfer_container_id> (2,556)
PTN000000065

>  <COMPOUND_NUMBER> (2,556)
WAY-344659

>  <LOCATION_CODE> (2,556)
PTNCS

>  <AMOUNT_CURRENT> (2,556)
32.1

$$$$
WAY-345565
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
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 13  6  1  0  0  0  0
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 19  4  1  0  0  0  0
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 14  9  1  0  0  0  0
 26 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,557)
2559

>  <Formula> (2,557)
C19H17ClN4O2

>  <MolWeight> (2,557)
368.81688

>  <PCAT_CMPD_ID> (2,557)
WAY-345565

>  <CNC_ID> (2,557)
359320822

>  <transfer_container_id> (2,557)
PTN000000065

>  <COMPOUND_NUMBER> (2,557)
WAY-345565

>  <LOCATION_CODE> (2,557)
PTNCS

>  <AMOUNT_CURRENT> (2,557)
32.4

$$$$
WAY-311977
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
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 12 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2,558)
2560

>  <Formula> (2,558)
C15H18N2O2

>  <MolWeight> (2,558)
258.31562

>  <PCAT_CMPD_ID> (2,558)
WAY-311977

>  <CNC_ID> (2,558)
359315718

>  <transfer_container_id> (2,558)
PTN000000065

>  <COMPOUND_NUMBER> (2,558)
WAY-311977

>  <LOCATION_CODE> (2,558)
PTNCS

>  <AMOUNT_CURRENT> (2,558)
33.9

$$$$
WAY-340008
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.8625    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 11  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,559)
2561

>  <Formula> (2,559)
C13H15Cl2NO

>  <MolWeight> (2,559)
272.1703

>  <PCAT_CMPD_ID> (2,559)
WAY-340008

>  <CNC_ID> (2,559)
359318860

>  <transfer_container_id> (2,559)
PTN000000065

>  <COMPOUND_NUMBER> (2,559)
WAY-340008

>  <LOCATION_CODE> (2,559)
PTNCS

>  <AMOUNT_CURRENT> (2,559)
32.6

$$$$
WAY-312380
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,560)
2562

>  <Formula> (2,560)
C12H13NO2

>  <MolWeight> (2,560)
203.23712

>  <PCAT_CMPD_ID> (2,560)
WAY-312380

>  <CNC_ID> (2,560)
359316120

>  <transfer_container_id> (2,560)
PTN000000065

>  <COMPOUND_NUMBER> (2,560)
WAY-312380

>  <LOCATION_CODE> (2,560)
PTNCS

>  <AMOUNT_CURRENT> (2,560)
33

$$$$
WAY-343879
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  1  1  0  0  0  0
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 17  8  1  0  0  0  0
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 21 17  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,561)
2563

>  <Formula> (2,561)
C17H15ClN2O4

>  <MolWeight> (2,561)
346.765

>  <PCAT_CMPD_ID> (2,561)
WAY-343879

>  <CNC_ID> (2,561)
359319220

>  <transfer_container_id> (2,561)
PTN000000065

>  <COMPOUND_NUMBER> (2,561)
WAY-343879

>  <LOCATION_CODE> (2,561)
PTNCS

>  <AMOUNT_CURRENT> (2,561)
32.5

$$$$
WAY-343806
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  6  1  0  0  0  0
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 13 12  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  1  0  0  0  0
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 13 10  2  0  0  0  0
 23 19  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,562)
2564

>  <Formula> (2,562)
C20H21N3O

>  <MolWeight> (2,562)
319.40024

>  <PCAT_CMPD_ID> (2,562)
WAY-343806

>  <CNC_ID> (2,562)
359319147

>  <transfer_container_id> (2,562)
PTN000000065

>  <COMPOUND_NUMBER> (2,562)
WAY-343806

>  <LOCATION_CODE> (2,562)
PTNCS

>  <AMOUNT_CURRENT> (2,562)
32.5

$$$$
WAY-250329-B
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
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 18 21  1  0  0  0  0
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  6  9  1  0  0  0  0
 16 19  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,563)
2565

>  <Formula> (2,563)
C19H22N2O

>  <MolWeight> (2,563)
294.39078

>  <PCAT_CMPD_ID> (2,563)
WAY-250329-B

>  <CNC_ID> (2,563)
359314011

>  <transfer_container_id> (2,563)
PTN000000065

>  <COMPOUND_NUMBER> (2,563)
WAY-250329-B

>  <LOCATION_CODE> (2,563)
PTNCS

>  <AMOUNT_CURRENT> (2,563)
33.9

$$$$
WAY-344874
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  3  1  0  0  0  0
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  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
 12 10  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
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 22 21  1  0  0  0  0
  4  5  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,564)
2566

>  <Formula> (2,564)
C16H21N3O3

>  <MolWeight> (2,564)
303.35624

>  <PCAT_CMPD_ID> (2,564)
WAY-344874

>  <CNC_ID> (2,564)
359320185

>  <transfer_container_id> (2,564)
PTN000000065

>  <COMPOUND_NUMBER> (2,564)
WAY-344874

>  <LOCATION_CODE> (2,564)
PTNCS

>  <AMOUNT_CURRENT> (2,564)
32.4

$$$$
WAY-344701
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11 13  2  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
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 21 20  1  0  0  0  0
 11 14  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,565)
2567

>  <Formula> (2,565)
C16H20FNO3

>  <MolWeight> (2,565)
293.3333032

>  <PCAT_CMPD_ID> (2,565)
WAY-344701

>  <CNC_ID> (2,565)
359320013

>  <transfer_container_id> (2,565)
PTN000000065

>  <COMPOUND_NUMBER> (2,565)
WAY-344701

>  <LOCATION_CODE> (2,565)
PTNCS

>  <AMOUNT_CURRENT> (2,565)
33

$$$$
WAY-310557
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.0966   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 21  2  0  0  0  0
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  8 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,566)
2568

>  <Formula> (2,566)
C17H17NO3

>  <MolWeight> (2,566)
283.32178

>  <PCAT_CMPD_ID> (2,566)
WAY-310557

>  <CNC_ID> (2,566)
359314298

>  <transfer_container_id> (2,566)
PTN000000065

>  <COMPOUND_NUMBER> (2,566)
WAY-310557

>  <LOCATION_CODE> (2,566)
PTNCS

>  <AMOUNT_CURRENT> (2,566)
33.8

$$$$
WAY-344891
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 12  5  1  0  0  0  0
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 14  3  1  0  0  0  0
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 25  3  1  0  0  0  0
 26  8  1  0  0  0  0
 27  8  1  0  0  0  0
  7  3  1  0  0  0  0
  8 14  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,567)
2569

>  <Formula> (2,567)
C20H25F2NO4

>  <MolWeight> (2,567)
381.4136064

>  <PCAT_CMPD_ID> (2,567)
WAY-344891

>  <CNC_ID> (2,567)
359320202

>  <transfer_container_id> (2,567)
PTN000000065

>  <COMPOUND_NUMBER> (2,567)
WAY-344891

>  <LOCATION_CODE> (2,567)
PTNCS

>  <AMOUNT_CURRENT> (2,567)
32.8

$$$$
WAY-311367
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 14 16  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,568)
2570

>  <Formula> (2,568)
C18H27N3O4S

>  <MolWeight> (2,568)
381.48968

>  <PCAT_CMPD_ID> (2,568)
WAY-311367

>  <CNC_ID> (2,568)
359315108

>  <transfer_container_id> (2,568)
PTN000000065

>  <COMPOUND_NUMBER> (2,568)
WAY-311367

>  <LOCATION_CODE> (2,568)
PTNCS

>  <AMOUNT_CURRENT> (2,568)
33.6

$$$$
WL-89102
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,569)
2571

>  <Formula> (2,569)
C10H10O3

>  <MolWeight> (2,569)
178.1846

>  <PCAT_CMPD_ID> (2,569)
WL-89102

>  <CNC_ID> (2,569)
359326685

>  <transfer_container_id> (2,569)
PTN000000065

>  <COMPOUND_NUMBER> (2,569)
WL-89102

>  <LOCATION_CODE> (2,569)
PTNCS

>  <AMOUNT_CURRENT> (2,569)
33.8

$$$$
WAY-312074
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
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 16 19  1  0  0  0  0
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 10 11  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,570)
2572

>  <Formula> (2,570)
C16H15NO2

>  <MolWeight> (2,570)
253.2958

>  <PCAT_CMPD_ID> (2,570)
WAY-312074

>  <CNC_ID> (2,570)
359315815

>  <transfer_container_id> (2,570)
PTN000000065

>  <COMPOUND_NUMBER> (2,570)
WAY-312074

>  <LOCATION_CODE> (2,570)
PTNCS

>  <AMOUNT_CURRENT> (2,570)
33

$$$$
WAY-345455
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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 12  3  1  0  0  0  0
 13 10  1  0  0  0  0
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 15  7  1  0  0  0  0
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 17  7  2  0  0  0  0
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 20  2  1  0  0  0  0
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M  END
>  <Mol_ID> (2,571)
2573

>  <Formula> (2,571)
C16H16FN3O5

>  <MolWeight> (2,571)
349.3137432

>  <PCAT_CMPD_ID> (2,571)
WAY-345455

>  <CNC_ID> (2,571)
359320724

>  <transfer_container_id> (2,571)
PTN000000065

>  <COMPOUND_NUMBER> (2,571)
WAY-345455

>  <LOCATION_CODE> (2,571)
PTNCS

>  <AMOUNT_CURRENT> (2,571)
32.6

$$$$
WAY-310637
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,572)
2574

>  <Formula> (2,572)
C18H26N4O2

>  <MolWeight> (2,572)
330.42464

>  <PCAT_CMPD_ID> (2,572)
WAY-310637

>  <CNC_ID> (2,572)
359314378

>  <transfer_container_id> (2,572)
PTN000000065

>  <COMPOUND_NUMBER> (2,572)
WAY-310637

>  <LOCATION_CODE> (2,572)
PTNCS

>  <AMOUNT_CURRENT> (2,572)
33.3

$$$$
WAY-311970
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,573)
2575

>  <Formula> (2,573)
C11H10FN3OS

>  <MolWeight> (2,573)
251.2800032

>  <PCAT_CMPD_ID> (2,573)
WAY-311970

>  <CNC_ID> (2,573)
359315711

>  <transfer_container_id> (2,573)
PTN000000065

>  <COMPOUND_NUMBER> (2,573)
WAY-311970

>  <LOCATION_CODE> (2,573)
PTNCS

>  <AMOUNT_CURRENT> (2,573)
33.6

$$$$
WAY-311940
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
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 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
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 18 19  1  0  0  0  0
  5  7  2  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,574)
2576

>  <Formula> (2,574)
C11H11N3O3S2

>  <MolWeight> (2,574)
297.35334

>  <PCAT_CMPD_ID> (2,574)
WAY-311940

>  <CNC_ID> (2,574)
359315681

>  <transfer_container_id> (2,574)
PTN000000065

>  <COMPOUND_NUMBER> (2,574)
WAY-311940

>  <LOCATION_CODE> (2,574)
PTNCS

>  <AMOUNT_CURRENT> (2,574)
33.4

$$$$
WAY-344920
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  6  9  1  0  0  0  0
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  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  1  0  0  0  0
 21 10  1  0  0  0  0
 22 16  1  0  0  0  0
 23 16  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
  7 10  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,575)
2577

>  <Formula> (2,575)
C17H22N4O3S

>  <MolWeight> (2,575)
362.44658

>  <PCAT_CMPD_ID> (2,575)
WAY-344920

>  <CNC_ID> (2,575)
359320231

>  <transfer_container_id> (2,575)
PTN000000065

>  <COMPOUND_NUMBER> (2,575)
WAY-344920

>  <LOCATION_CODE> (2,575)
PTNCS

>  <AMOUNT_CURRENT> (2,575)
32.4

$$$$
WAY-344896
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
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 10 16  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16  8  1  0  0  0  0
 17  6  2  0  0  0  0
 18  8  2  0  0  0  0
 19 20  1  0  0  0  0
 20  9  1  0  0  0  0
 21  3  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24  5  1  0  0  0  0
 25 19  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
  2  4  1  0  0  0  0
 27 25  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,576)
2578

>  <Formula> (2,576)
C20H21Cl2NO4

>  <MolWeight> (2,576)
410.29104

>  <PCAT_CMPD_ID> (2,576)
WAY-344896

>  <CNC_ID> (2,576)
359320207

>  <transfer_container_id> (2,576)
PTN000000065

>  <COMPOUND_NUMBER> (2,576)
WAY-344896

>  <LOCATION_CODE> (2,576)
PTNCS

>  <AMOUNT_CURRENT> (2,576)
32.9

$$$$
WAY-345343
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15 21  1  0  0  0  0
 16  3  1  0  0  0  0
 17  6  1  0  0  0  0
 18  6  1  0  0  0  0
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 20 18  1  0  0  0  0
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 22 13  2  0  0  0  0
 23 22  1  0  0  0  0
 16 23  2  0  0  0  0
 19 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,577)
2579

>  <Formula> (2,577)
C15H20F3N3O2

>  <MolWeight> (2,577)
331.3334096

>  <PCAT_CMPD_ID> (2,577)
WAY-345343

>  <CNC_ID> (2,577)
359320615

>  <transfer_container_id> (2,577)
PTN000000065

>  <COMPOUND_NUMBER> (2,577)
WAY-345343

>  <LOCATION_CODE> (2,577)
PTNCS

>  <AMOUNT_CURRENT> (2,577)
32.6

$$$$
WAY-313281-A
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,578)
2580

>  <Formula> (2,578)
C20H23N3O3

>  <MolWeight> (2,578)
353.41492

>  <PCAT_CMPD_ID> (2,578)
WAY-313281-A

>  <CNC_ID> (2,578)
359328317

>  <transfer_container_id> (2,578)
PTN000000067

>  <COMPOUND_NUMBER> (2,578)
WAY-313281-A

>  <LOCATION_CODE> (2,578)
PTNCS

>  <AMOUNT_CURRENT> (2,578)
33.8

$$$$
WAY-228942
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  2  1  0  0  0  0
  6 11  2  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18  2  1  0  0  0  0
 19  2  1  0  0  0  0
 20  8  1  0  0  0  0
 21  8  1  0  0  0  0
  7  5  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
>  <Mol_ID> (2,579)
2581

>  <Formula> (2,579)
C18H31N3

>  <MolWeight> (2,579)
289.45884

>  <PCAT_CMPD_ID> (2,579)
WAY-228942

>  <CNC_ID> (2,579)
359313881

>  <transfer_container_id> (2,579)
PTN000000065

>  <COMPOUND_NUMBER> (2,579)
WAY-228942

>  <LOCATION_CODE> (2,579)
PTNCS

>  <AMOUNT_CURRENT> (2,579)
33.8

$$$$
WAY-345497
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14  3  2  0  0  0  0
 15 21  1  0  0  0  0
 16  8  2  0  0  0  0
 17  5  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 23  2  0  0  0  0
 22 10  1  0  0  0  0
 23 13  1  0  0  0  0
 24 15  1  0  0  0  0
  2  3  1  0  0  0  0
 10 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,580)
2582

>  <Formula> (2,580)
C14H8Cl2F4N2O2

>  <MolWeight> (2,580)
383.1251328

>  <PCAT_CMPD_ID> (2,580)
WAY-345497

>  <CNC_ID> (2,580)
359320766

>  <transfer_container_id> (2,580)
PTN000000065

>  <COMPOUND_NUMBER> (2,580)
WAY-345497

>  <LOCATION_CODE> (2,580)
PTNCS

>  <AMOUNT_CURRENT> (2,580)
32.7

$$$$
WAY-344823
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11 15  2  0  0  0  0
 12  9  1  0  0  0  0
 13 20  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 13  1  0  0  0  0
 18  2  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  2  0  0  0  0
 23 11  1  0  0  0  0
 24  7  2  0  0  0  0
 25 16  1  0  0  0  0
 26 23  1  0  0  0  0
 27 18  1  0  0  0  0
 28 27  2  0  0  0  0
 28 24  1  0  0  0  0
 11  6  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,581)
2583

>  <Formula> (2,581)
C22H20FNO4

>  <MolWeight> (2,581)
381.3969032

>  <PCAT_CMPD_ID> (2,581)
WAY-344823

>  <CNC_ID> (2,581)
359320134

>  <transfer_container_id> (2,581)
PTN000000065

>  <COMPOUND_NUMBER> (2,581)
WAY-344823

>  <LOCATION_CODE> (2,581)
PTNCS

>  <AMOUNT_CURRENT> (2,581)
32.9

$$$$
WAY-344909
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  9  1  0  0  0  0
  5  1  2  0  0  0  0
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  7  4  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13 18  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  2  0  0  0  0
 18 12  1  0  0  0  0
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 20  2  1  0  0  0  0
 21  2  1  0  0  0  0
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 26 21  1  0  0  0  0
 17 13  1  0  0  0  0
 25 26  1  0  0  0  0
 16 24  2  0  0  0  0
M  END
>  <Mol_ID> (2,582)
2584

>  <Formula> (2,582)
C19H19ClN2O3S

>  <MolWeight> (2,582)
390.88376

>  <PCAT_CMPD_ID> (2,582)
WAY-344909

>  <CNC_ID> (2,582)
359320220

>  <transfer_container_id> (2,582)
PTN000000065

>  <COMPOUND_NUMBER> (2,582)
WAY-344909

>  <LOCATION_CODE> (2,582)
PTNCS

>  <AMOUNT_CURRENT> (2,582)
32.4

$$$$
WAY-310903
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
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 10 14  1  0  0  0  0
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  9 12  2  0  0  0  0
 11 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,583)
2585

>  <Formula> (2,583)
C17H20N2OS

>  <MolWeight> (2,583)
300.4185

>  <PCAT_CMPD_ID> (2,583)
WAY-310903

>  <CNC_ID> (2,583)
359314645

>  <transfer_container_id> (2,583)
PTN000000065

>  <COMPOUND_NUMBER> (2,583)
WAY-310903

>  <LOCATION_CODE> (2,583)
PTNCS

>  <AMOUNT_CURRENT> (2,583)
33.1

$$$$
WAY-344208
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,584)
2586

>  <Formula> (2,584)
C22H24N2O4

>  <MolWeight> (2,584)
380.43696

>  <PCAT_CMPD_ID> (2,584)
WAY-344208

>  <CNC_ID> (2,584)
359319543

>  <transfer_container_id> (2,584)
PTN000000065

>  <COMPOUND_NUMBER> (2,584)
WAY-344208

>  <LOCATION_CODE> (2,584)
PTNCS

>  <AMOUNT_CURRENT> (2,584)
32.7

$$$$
WAY-311958
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,585)
2587

>  <Formula> (2,585)
C24H14F3N3O3

>  <MolWeight> (2,585)
449.3814696

>  <PCAT_CMPD_ID> (2,585)
WAY-311958

>  <CNC_ID> (2,585)
359315699

>  <transfer_container_id> (2,585)
PTN000000065

>  <COMPOUND_NUMBER> (2,585)
WAY-311958

>  <LOCATION_CODE> (2,585)
PTNCS

>  <AMOUNT_CURRENT> (2,585)
33.1

$$$$
CL-416199
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,586)
2588

>  <Formula> (2,586)
C14H11ClN2O2

>  <MolWeight> (2,586)
274.70234

>  <PCAT_CMPD_ID> (2,586)
CL-416199

>  <CNC_ID> (2,586)
359313614

>  <transfer_container_id> (2,586)
PTN000000065

>  <COMPOUND_NUMBER> (2,586)
CL-416199

>  <LOCATION_CODE> (2,586)
PTNCS

>  <AMOUNT_CURRENT> (2,586)
33.1

$$$$
WAY-311238
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,587)
2589

>  <Formula> (2,587)
C21H22N2O2S

>  <MolWeight> (2,587)
366.47658

>  <PCAT_CMPD_ID> (2,587)
WAY-311238

>  <CNC_ID> (2,587)
359314979

>  <transfer_container_id> (2,587)
PTN000000065

>  <COMPOUND_NUMBER> (2,587)
WAY-311238

>  <LOCATION_CODE> (2,587)
PTNCS

>  <AMOUNT_CURRENT> (2,587)
33.2

$$$$
WAY-343863
csChFnd80/10101909502D

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 16  8  2  0  0  0  0
M  END
>  <Mol_ID> (2,588)
2590

>  <Formula> (2,588)
C14H12F2N2O3

>  <MolWeight> (2,588)
294.2534864

>  <PCAT_CMPD_ID> (2,588)
WAY-343863

>  <CNC_ID> (2,588)
359319204

>  <transfer_container_id> (2,588)
PTN000000065

>  <COMPOUND_NUMBER> (2,588)
WAY-343863

>  <LOCATION_CODE> (2,588)
PTNCS

>  <AMOUNT_CURRENT> (2,588)
32.4

$$$$
WAY-310680-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,589)
2591

>  <Formula> (2,589)
C16H20N2O3

>  <MolWeight> (2,589)
288.3416

>  <PCAT_CMPD_ID> (2,589)
WAY-310680-A

>  <CNC_ID> (2,589)
359314421

>  <transfer_container_id> (2,589)
PTN000000065

>  <COMPOUND_NUMBER> (2,589)
WAY-310680-A

>  <LOCATION_CODE> (2,589)
PTNCS

>  <AMOUNT_CURRENT> (2,589)
33.8

$$$$
WAY-344655
csChFnd80/10101909502D

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 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,590)
2592

>  <Formula> (2,590)
C13H13N3O2

>  <MolWeight> (2,590)
243.26122

>  <PCAT_CMPD_ID> (2,590)
WAY-344655

>  <CNC_ID> (2,590)
359319969

>  <transfer_container_id> (2,590)
PTN000000065

>  <COMPOUND_NUMBER> (2,590)
WAY-344655

>  <LOCATION_CODE> (2,590)
PTNCS

>  <AMOUNT_CURRENT> (2,590)
32

$$$$
WAY-343849
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,591)
2593

>  <Formula> (2,591)
C20H16ClF3N2O4

>  <MolWeight> (2,591)
440.8002496

>  <PCAT_CMPD_ID> (2,591)
WAY-343849

>  <CNC_ID> (2,591)
359319190

>  <transfer_container_id> (2,591)
PTN000000065

>  <COMPOUND_NUMBER> (2,591)
WAY-343849

>  <LOCATION_CODE> (2,591)
PTNCS

>  <AMOUNT_CURRENT> (2,591)
32.6

$$$$
WAY-344363
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,592)
2594

>  <Formula> (2,592)
C15H13F3N2O5

>  <MolWeight> (2,592)
358.2693296

>  <PCAT_CMPD_ID> (2,592)
WAY-344363

>  <CNC_ID> (2,592)
359319698

>  <transfer_container_id> (2,592)
PTN000000065

>  <COMPOUND_NUMBER> (2,592)
WAY-344363

>  <LOCATION_CODE> (2,592)
PTNCS

>  <AMOUNT_CURRENT> (2,592)
32.8

$$$$
CL-425073
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,593)
2595

>  <Formula> (2,593)
C13H17N3O2S

>  <MolWeight> (2,593)
279.35798

>  <PCAT_CMPD_ID> (2,593)
CL-425073

>  <CNC_ID> (2,593)
359313627

>  <transfer_container_id> (2,593)
PTN000000065

>  <COMPOUND_NUMBER> (2,593)
CL-425073

>  <LOCATION_CODE> (2,593)
PTNCS

>  <AMOUNT_CURRENT> (2,593)
33.5

$$$$
WAY-311334
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,594)
2596

>  <Formula> (2,594)
C18H18ClFN6O3

>  <MolWeight> (2,594)
420.8253232

>  <PCAT_CMPD_ID> (2,594)
WAY-311334

>  <CNC_ID> (2,594)
359315075

>  <transfer_container_id> (2,594)
PTN000000065

>  <COMPOUND_NUMBER> (2,594)
WAY-311334

>  <LOCATION_CODE> (2,594)
PTNCS

>  <AMOUNT_CURRENT> (2,594)
33.3

$$$$
WAY-354369
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,595)
2597

>  <Formula> (2,595)
C22H20Cl2N2O4

>  <MolWeight> (2,595)
447.3112

>  <PCAT_CMPD_ID> (2,595)
WAY-354369

>  <CNC_ID> (2,595)
359320930

>  <transfer_container_id> (2,595)
PTN000000065

>  <COMPOUND_NUMBER> (2,595)
WAY-354369

>  <LOCATION_CODE> (2,595)
PTNCS

>  <AMOUNT_CURRENT> (2,595)
33

$$$$
WAY-311682
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,596)
2598

>  <Formula> (2,596)
C21H18N4OS

>  <MolWeight> (2,596)
374.45882

>  <PCAT_CMPD_ID> (2,596)
WAY-311682

>  <CNC_ID> (2,596)
359315423

>  <transfer_container_id> (2,596)
PTN000000065

>  <COMPOUND_NUMBER> (2,596)
WAY-311682

>  <LOCATION_CODE> (2,596)
PTNCS

>  <AMOUNT_CURRENT> (2,596)
33.2

$$$$
WAY-345026
csChFnd80/10101909502D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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 15  4  2  0  0  0  0
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M  END
>  <Mol_ID> (2,597)
2599

>  <Formula> (2,597)
C22H30N2O4

>  <MolWeight> (2,597)
386.4846

>  <PCAT_CMPD_ID> (2,597)
WAY-345026

>  <CNC_ID> (2,597)
359320336

>  <transfer_container_id> (2,597)
PTN000000065

>  <COMPOUND_NUMBER> (2,597)
WAY-345026

>  <LOCATION_CODE> (2,597)
PTNCS

>  <AMOUNT_CURRENT> (2,597)
32.5

$$$$
WAY-119216
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,598)
2600

>  <Formula> (2,598)
C19H20FN5O

>  <MolWeight> (2,598)
353.3934032

>  <PCAT_CMPD_ID> (2,598)
WAY-119216

>  <CNC_ID> (2,598)
359313744

>  <transfer_container_id> (2,598)
PTN000000065

>  <COMPOUND_NUMBER> (2,598)
WAY-119216

>  <LOCATION_CODE> (2,598)
PTNCS

>  <AMOUNT_CURRENT> (2,598)
33.9

$$$$
WAY-344950
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,599)
2601

>  <Formula> (2,599)
C15H20N2O2

>  <MolWeight> (2,599)
260.3315

>  <PCAT_CMPD_ID> (2,599)
WAY-344950

>  <CNC_ID> (2,599)
359320261

>  <transfer_container_id> (2,599)
PTN000000065

>  <COMPOUND_NUMBER> (2,599)
WAY-344950

>  <LOCATION_CODE> (2,599)
PTNCS

>  <AMOUNT_CURRENT> (2,599)
32.8

$$$$
WAY-313184
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 11  4  2  0  0  0  0
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 15  6  1  0  0  0  0
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 12 10  1  0  0  0  0
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M  END
>  <Mol_ID> (2,600)
2602

>  <Formula> (2,600)
C15H16BrNO2

>  <MolWeight> (2,600)
322.19704

>  <PCAT_CMPD_ID> (2,600)
WAY-313184

>  <CNC_ID> (2,600)
359328220

>  <transfer_container_id> (2,600)
PTN000000067

>  <COMPOUND_NUMBER> (2,600)
WAY-313184

>  <LOCATION_CODE> (2,600)
PTNCS

>  <AMOUNT_CURRENT> (2,600)
33.3

$$$$
WAY-311507
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 19 21  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,601)
2603

>  <Formula> (2,601)
C20H17FN2O3

>  <MolWeight> (2,601)
352.3589832

>  <PCAT_CMPD_ID> (2,601)
WAY-311507

>  <CNC_ID> (2,601)
359315248

>  <transfer_container_id> (2,601)
PTN000000065

>  <COMPOUND_NUMBER> (2,601)
WAY-311507

>  <LOCATION_CODE> (2,601)
PTNCS

>  <AMOUNT_CURRENT> (2,601)
33.9

$$$$
WAY-344783
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 26 29  2  0  0  0  0
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M  END
>  <Mol_ID> (2,602)
2604

>  <Formula> (2,602)
C24H19NO4

>  <MolWeight> (2,602)
385.41196

>  <PCAT_CMPD_ID> (2,602)
WAY-344783

>  <CNC_ID> (2,602)
359320094

>  <transfer_container_id> (2,602)
PTN000000065

>  <COMPOUND_NUMBER> (2,602)
WAY-344783

>  <LOCATION_CODE> (2,602)
PTNCS

>  <AMOUNT_CURRENT> (2,602)
32.7

$$$$
WAY-344765
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
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 13  8  2  0  0  0  0
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 17  8  1  0  0  0  0
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 23  7  2  0  0  0  0
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  9 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,603)
2605

>  <Formula> (2,603)
C24H19NO4

>  <MolWeight> (2,603)
385.41196

>  <PCAT_CMPD_ID> (2,603)
WAY-344765

>  <CNC_ID> (2,603)
359320076

>  <transfer_container_id> (2,603)
PTN000000065

>  <COMPOUND_NUMBER> (2,603)
WAY-344765

>  <LOCATION_CODE> (2,603)
PTNCS

>  <AMOUNT_CURRENT> (2,603)
32.1

$$$$
WAY-311704
csChFnd80/10101909502D

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  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
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  7 13  1  0  0  0  0
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 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
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 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,604)
2606

>  <Formula> (2,604)
C19H18N2O2

>  <MolWeight> (2,604)
306.35842

>  <PCAT_CMPD_ID> (2,604)
WAY-311704

>  <CNC_ID> (2,604)
359315445

>  <transfer_container_id> (2,604)
PTN000000065

>  <COMPOUND_NUMBER> (2,604)
WAY-311704

>  <LOCATION_CODE> (2,604)
PTNCS

>  <AMOUNT_CURRENT> (2,604)
33.9

$$$$
WAY-343821
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 16  1  0  0  0  0
 12  7  2  0  0  0  0
 13  9  2  0  0  0  0
 14 17  1  0  0  0  0
 15  2  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 18  3  1  0  0  0  0
 19  3  1  0  0  0  0
 20  4  1  0  0  0  0
 21  5  1  0  0  0  0
 22 25  1  0  0  0  0
 23  7  1  0  0  0  0
 24 22  2  0  0  0  0
 25 16  2  0  0  0  0
 26 20  2  0  0  0  0
 27 21  2  0  0  0  0
  5  4  2  0  0  0  0
 27 26  1  0  0  0  0
 10 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,605)
2607

>  <Formula> (2,605)
C22H24N2O3

>  <MolWeight> (2,605)
364.43756

>  <PCAT_CMPD_ID> (2,605)
WAY-343821

>  <CNC_ID> (2,605)
359319162

>  <transfer_container_id> (2,605)
PTN000000065

>  <COMPOUND_NUMBER> (2,605)
WAY-343821

>  <LOCATION_CODE> (2,605)
PTNCS

>  <AMOUNT_CURRENT> (2,605)
32.1

$$$$
WAY-313289
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 12 15  2  0  0  0  0
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 17 20  2  0  0  0  0
 10 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,606)
2608

>  <Formula> (2,606)
C14H16INO4

>  <MolWeight> (2,606)
389.18561

>  <PCAT_CMPD_ID> (2,606)
WAY-313289

>  <CNC_ID> (2,606)
359328325

>  <transfer_container_id> (2,606)
PTN000000067

>  <COMPOUND_NUMBER> (2,606)
WAY-313289

>  <LOCATION_CODE> (2,606)
PTNCS

>  <AMOUNT_CURRENT> (2,606)
33.2

$$$$
WAY-343355
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  9  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12 14  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
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 17 10  2  0  0  0  0
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 29 24  1  0  0  0  0
  6  5  1  0  0  0  0
 28 26  2  0  0  0  0
 29 23  2  0  0  0  0
 16 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,607)
2609

>  <Formula> (2,607)
C23H17N3O2S

>  <MolWeight> (2,607)
399.46498

>  <PCAT_CMPD_ID> (2,607)
WAY-343355

>  <CNC_ID> (2,607)
359318973

>  <transfer_container_id> (2,607)
PTN000000065

>  <COMPOUND_NUMBER> (2,607)
WAY-343355

>  <LOCATION_CODE> (2,607)
PTNCS

>  <AMOUNT_CURRENT> (2,607)
32.4

$$$$
WAY-310350
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.3793   -0.3172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
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  7  9  2  0  0  0  0
 11 15  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,608)
2610

>  <Formula> (2,608)
C17H18N2O3S

>  <MolWeight> (2,608)
330.40142

>  <PCAT_CMPD_ID> (2,608)
WAY-310350

>  <CNC_ID> (2,608)
359314091

>  <transfer_container_id> (2,608)
PTN000000065

>  <COMPOUND_NUMBER> (2,608)
WAY-310350

>  <LOCATION_CODE> (2,608)
PTNCS

>  <AMOUNT_CURRENT> (2,608)
33.9

$$$$
WAY-344799
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  5  3  2  0  0  0  0
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  7 13  2  0  0  0  0
  8  2  1  0  0  0  0
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 10  5  1  0  0  0  0
 11 15  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15 23  2  0  0  0  0
 16 22  1  0  0  0  0
 17  4  1  0  0  0  0
 18 12  1  0  0  0  0
 19  6  1  0  0  0  0
 20 18  1  0  0  0  0
 21 13  1  0  0  0  0
 22 20  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  1  0  0  0  0
  7  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,609)
2611

>  <Formula> (2,609)
C17H12Cl2N2O3

>  <MolWeight> (2,609)
363.19478

>  <PCAT_CMPD_ID> (2,609)
WAY-344799

>  <CNC_ID> (2,609)
359320110

>  <transfer_container_id> (2,609)
PTN000000065

>  <COMPOUND_NUMBER> (2,609)
WAY-344799

>  <LOCATION_CODE> (2,609)
PTNCS

>  <AMOUNT_CURRENT> (2,609)
32.3

$$$$
WAY-310572
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
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 22 24  2  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,610)
2612

>  <Formula> (2,610)
C20H18N2O2

>  <MolWeight> (2,610)
318.36912

>  <PCAT_CMPD_ID> (2,610)
WAY-310572

>  <CNC_ID> (2,610)
359314313

>  <transfer_container_id> (2,610)
PTN000000065

>  <COMPOUND_NUMBER> (2,610)
WAY-310572

>  <LOCATION_CODE> (2,610)
PTNCS

>  <AMOUNT_CURRENT> (2,610)
33.6

$$$$
WAY-116357
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11  5  1  0  0  0  0
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 13  7  1  0  0  0  0
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 15  6  1  0  0  0  0
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 17 15  2  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (2,611)
2613

>  <Formula> (2,611)
C12H8ClN3O

>  <MolWeight> (2,611)
245.66442

>  <PCAT_CMPD_ID> (2,611)
WAY-116357

>  <CNC_ID> (2,611)
359313713

>  <transfer_container_id> (2,611)
PTN000000065

>  <COMPOUND_NUMBER> (2,611)
WAY-116357

>  <LOCATION_CODE> (2,611)
PTNCS

>  <AMOUNT_CURRENT> (2,611)
33.6

$$$$
WAY-325881
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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 15  2  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
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  8  4  1  0  0  0  0
 17 21  2  0  0  0  0
 11  9  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,612)
2614

>  <Formula> (2,612)
C18H15N3OS

>  <MolWeight> (2,612)
321.3962

>  <PCAT_CMPD_ID> (2,612)
WAY-325881

>  <CNC_ID> (2,612)
359316331

>  <transfer_container_id> (2,612)
PTN000000065

>  <COMPOUND_NUMBER> (2,612)
WAY-325881

>  <LOCATION_CODE> (2,612)
PTNCS

>  <AMOUNT_CURRENT> (2,612)
32.6

$$$$
WAY-344221
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,613)
2615

>  <Formula> (2,613)
C17H13F2N3OS2

>  <MolWeight> (2,613)
377.4314264

>  <PCAT_CMPD_ID> (2,613)
WAY-344221

>  <CNC_ID> (2,613)
359319556

>  <transfer_container_id> (2,613)
PTN000000065

>  <COMPOUND_NUMBER> (2,613)
WAY-344221

>  <LOCATION_CODE> (2,613)
PTNCS

>  <AMOUNT_CURRENT> (2,613)
33

$$$$
WAY-310588-A
csChFnd80/10101909502D

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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (2,614)
2616

>  <Formula> (2,614)
C14H13N5OS2

>  <MolWeight> (2,614)
331.41592

>  <PCAT_CMPD_ID> (2,614)
WAY-310588-A

>  <CNC_ID> (2,614)
359314329

>  <transfer_container_id> (2,614)
PTN000000065

>  <COMPOUND_NUMBER> (2,614)
WAY-310588-A

>  <LOCATION_CODE> (2,614)
PTNCS

>  <AMOUNT_CURRENT> (2,614)
33.7

$$$$
WAY-311923
csChFnd80/10101909502D

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 11 14  1  0  0  0  0
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M  END
>  <Mol_ID> (2,615)
2617

>  <Formula> (2,615)
C18H22N4OS

>  <MolWeight> (2,615)
342.45848

>  <PCAT_CMPD_ID> (2,615)
WAY-311923

>  <CNC_ID> (2,615)
359315664

>  <transfer_container_id> (2,615)
PTN000000065

>  <COMPOUND_NUMBER> (2,615)
WAY-311923

>  <LOCATION_CODE> (2,615)
PTNCS

>  <AMOUNT_CURRENT> (2,615)
33.2

$$$$
WAY-311325
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,616)
2618

>  <Formula> (2,616)
C11H12N2OS

>  <MolWeight> (2,616)
220.29078

>  <PCAT_CMPD_ID> (2,616)
WAY-311325

>  <CNC_ID> (2,616)
359315066

>  <transfer_container_id> (2,616)
PTN000000065

>  <COMPOUND_NUMBER> (2,616)
WAY-311325

>  <LOCATION_CODE> (2,616)
PTNCS

>  <AMOUNT_CURRENT> (2,616)
33.6

$$$$
WAY-344009
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,617)
2619

>  <Formula> (2,617)
C18H20N4S

>  <MolWeight> (2,617)
324.4432

>  <PCAT_CMPD_ID> (2,617)
WAY-344009

>  <CNC_ID> (2,617)
359319347

>  <transfer_container_id> (2,617)
PTN000000065

>  <COMPOUND_NUMBER> (2,617)
WAY-344009

>  <LOCATION_CODE> (2,617)
PTNCS

>  <AMOUNT_CURRENT> (2,617)
32.3

$$$$
WAY-312160-A
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,618)
2620

>  <Formula> (2,618)
C12H17N3O2S

>  <MolWeight> (2,618)
267.34728

>  <PCAT_CMPD_ID> (2,618)
WAY-312160-A

>  <CNC_ID> (2,618)
359315900

>  <transfer_container_id> (2,618)
PTN000000065

>  <COMPOUND_NUMBER> (2,618)
WAY-312160-A

>  <LOCATION_CODE> (2,618)
PTNCS

>  <AMOUNT_CURRENT> (2,618)
33.6

$$$$
WAY-342653
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,619)
2621

>  <Formula> (2,619)
C18H20BrN5O

>  <MolWeight> (2,619)
402.2883

>  <PCAT_CMPD_ID> (2,619)
WAY-342653

>  <CNC_ID> (2,619)
359318908

>  <transfer_container_id> (2,619)
PTN000000065

>  <COMPOUND_NUMBER> (2,619)
WAY-342653

>  <LOCATION_CODE> (2,619)
PTNCS

>  <AMOUNT_CURRENT> (2,619)
32.7

$$$$
WAY-344342
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,620)
2622

>  <Formula> (2,620)
C11H8N2S3

>  <MolWeight> (2,620)
264.38962

>  <PCAT_CMPD_ID> (2,620)
WAY-344342

>  <CNC_ID> (2,620)
359319677

>  <transfer_container_id> (2,620)
PTN000000065

>  <COMPOUND_NUMBER> (2,620)
WAY-344342

>  <LOCATION_CODE> (2,620)
PTNCS

>  <AMOUNT_CURRENT> (2,620)
32.3

$$$$
WAY-343874
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,621)
2623

>  <Formula> (2,621)
C18H14ClNO3S

>  <MolWeight> (2,621)
359.82666

>  <PCAT_CMPD_ID> (2,621)
WAY-343874

>  <CNC_ID> (2,621)
359319215

>  <transfer_container_id> (2,621)
PTN000000065

>  <COMPOUND_NUMBER> (2,621)
WAY-343874

>  <LOCATION_CODE> (2,621)
PTNCS

>  <AMOUNT_CURRENT> (2,621)
32.1

$$$$
WAY-311603
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,622)
2624

>  <Formula> (2,622)
C15H12N2O2S2

>  <MolWeight> (2,622)
316.39798

>  <PCAT_CMPD_ID> (2,622)
WAY-311603

>  <CNC_ID> (2,622)
359315344

>  <transfer_container_id> (2,622)
PTN000000065

>  <COMPOUND_NUMBER> (2,622)
WAY-311603

>  <LOCATION_CODE> (2,622)
PTNCS

>  <AMOUNT_CURRENT> (2,622)
33.6

$$$$
CL-415706
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,623)
2625

>  <Formula> (2,623)
C20H17N3O5

>  <MolWeight> (2,623)
379.36608

>  <PCAT_CMPD_ID> (2,623)
CL-415706

>  <CNC_ID> (2,623)
359313610

>  <transfer_container_id> (2,623)
PTN000000065

>  <COMPOUND_NUMBER> (2,623)
CL-415706

>  <LOCATION_CODE> (2,623)
PTNCS

>  <AMOUNT_CURRENT> (2,623)
33.7

$$$$
WAY-343589
csChFnd80/10101909502D

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 10  3  1  0  0  0  0
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 14  4  1  0  0  0  0
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  8  6  1  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,624)
2626

>  <Formula> (2,624)
C14H12Cl2N4O2

>  <MolWeight> (2,624)
339.17668

>  <PCAT_CMPD_ID> (2,624)
WAY-343589

>  <CNC_ID> (2,624)
359318999

>  <transfer_container_id> (2,624)
PTN000000065

>  <COMPOUND_NUMBER> (2,624)
WAY-343589

>  <LOCATION_CODE> (2,624)
PTNCS

>  <AMOUNT_CURRENT> (2,624)
32.4

$$$$
WAY-335117
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10 17  2  0  0  0  0
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
  5  7  1  0  0  0  0
 12 18  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,625)
2627

>  <Formula> (2,625)
C14H12N2O2S

>  <MolWeight> (2,625)
272.32228

>  <PCAT_CMPD_ID> (2,625)
WAY-335117

>  <CNC_ID> (2,625)
359333644

>  <transfer_container_id> (2,625)
PTN000000076

>  <COMPOUND_NUMBER> (2,625)
WAY-335117

>  <LOCATION_CODE> (2,625)
PTNCS

>  <AMOUNT_CURRENT> (2,625)
32.9

$$$$
WL-345776
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
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 21 24  1  0  0  0  0
  7 11  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,626)
2628

>  <Formula> (2,626)
C18H22N2O4

>  <MolWeight> (2,626)
330.37828

>  <PCAT_CMPD_ID> (2,626)
WL-345776

>  <CNC_ID> (2,626)
359339826

>  <transfer_container_id> (2,626)
PTN000000067

>  <COMPOUND_NUMBER> (2,626)
WL-345776

>  <LOCATION_CODE> (2,626)
PTNCS

>  <AMOUNT_CURRENT> (2,626)
33.3

$$$$
CL-282859
csChFnd80/10101909502D

 11 12  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,627)
2629

>  <Formula> (2,627)
C7H4O3S

>  <MolWeight> (2,627)
168.16986

>  <PCAT_CMPD_ID> (2,627)
CL-282859

>  <CNC_ID> (2,627)
359339853

>  <transfer_container_id> (2,627)
PTN000000068

>  <COMPOUND_NUMBER> (2,627)
CL-282859

>  <LOCATION_CODE> (2,627)
PTNCS

>  <AMOUNT_CURRENT> (2,627)
33.2

$$$$
CL-323509
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,628)
2630

>  <Formula> (2,628)
C13H15NO

>  <MolWeight> (2,628)
201.2643

>  <PCAT_CMPD_ID> (2,628)
CL-323509

>  <CNC_ID> (2,628)
359339859

>  <transfer_container_id> (2,628)
PTN000000068

>  <COMPOUND_NUMBER> (2,628)
CL-323509

>  <LOCATION_CODE> (2,628)
PTNCS

>  <AMOUNT_CURRENT> (2,628)
33.2

$$$$
CL-337438
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,629)
2631

>  <Formula> (2,629)
C13H9N3O3S

>  <MolWeight> (2,629)
287.29386

>  <PCAT_CMPD_ID> (2,629)
CL-337438

>  <CNC_ID> (2,629)
359339860

>  <transfer_container_id> (2,629)
PTN000000068

>  <COMPOUND_NUMBER> (2,629)
CL-337438

>  <LOCATION_CODE> (2,629)
PTNCS

>  <AMOUNT_CURRENT> (2,629)
33.1

$$$$
CL-412697
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,630)
2632

>  <Formula> (2,630)
C17H21NO2

>  <MolWeight> (2,630)
271.35414

>  <PCAT_CMPD_ID> (2,630)
CL-412697

>  <CNC_ID> (2,630)
359339906

>  <transfer_container_id> (2,630)
PTN000000068

>  <COMPOUND_NUMBER> (2,630)
CL-412697

>  <LOCATION_CODE> (2,630)
PTNCS

>  <AMOUNT_CURRENT> (2,630)
33.1

$$$$
CL-414692
csChFnd80/10101909502D

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 11 14  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
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 15 17  1  0  0  0  0
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M  END
>  <Mol_ID> (2,631)
2633

>  <Formula> (2,631)
C17H10N4O3S

>  <MolWeight> (2,631)
350.3513

>  <PCAT_CMPD_ID> (2,631)
CL-414692

>  <CNC_ID> (2,631)
359339914

>  <transfer_container_id> (2,631)
PTN000000068

>  <COMPOUND_NUMBER> (2,631)
CL-414692

>  <LOCATION_CODE> (2,631)
PTNCS

>  <AMOUNT_CURRENT> (2,631)
33.3

$$$$
CL-425334
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 14 17  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,632)
2634

>  <Formula> (2,632)
C14H9Cl2N3O2S

>  <MolWeight> (2,632)
354.21116

>  <PCAT_CMPD_ID> (2,632)
CL-425334

>  <CNC_ID> (2,632)
359339945

>  <transfer_container_id> (2,632)
PTN000000068

>  <COMPOUND_NUMBER> (2,632)
CL-425334

>  <LOCATION_CODE> (2,632)
PTNCS

>  <AMOUNT_CURRENT> (2,632)
33.2

$$$$
WAY-113575
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
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 16  7  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,633)
2635

>  <Formula> (2,633)
C15H11FN2O3S

>  <MolWeight> (2,633)
318.3228432

>  <PCAT_CMPD_ID> (2,633)
WAY-113575

>  <CNC_ID> (2,633)
359340025

>  <transfer_container_id> (2,633)
PTN000000068

>  <COMPOUND_NUMBER> (2,633)
WAY-113575

>  <LOCATION_CODE> (2,633)
PTNCS

>  <AMOUNT_CURRENT> (2,633)
33.3

$$$$
WAY-113720
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,634)
2636

>  <Formula> (2,634)
C16H17ClN2OS

>  <MolWeight> (2,634)
320.83698

>  <PCAT_CMPD_ID> (2,634)
WAY-113720

>  <CNC_ID> (2,634)
359340027

>  <transfer_container_id> (2,634)
PTN000000068

>  <COMPOUND_NUMBER> (2,634)
WAY-113720

>  <LOCATION_CODE> (2,634)
PTNCS

>  <AMOUNT_CURRENT> (2,634)
33

$$$$
WAY-115185
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,635)
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>  <Formula> (2,635)
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>  <MolWeight> (2,635)
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>  <PCAT_CMPD_ID> (2,635)
WAY-115185

>  <CNC_ID> (2,635)
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>  <transfer_container_id> (2,635)
PTN000000068

>  <COMPOUND_NUMBER> (2,635)
WAY-115185

>  <LOCATION_CODE> (2,635)
PTNCS

>  <AMOUNT_CURRENT> (2,635)
33

$$$$
WAY-223970
csChFnd80/10101909502D

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>  <Mol_ID> (2,636)
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>  <MolWeight> (2,636)
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WAY-223970

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>  <transfer_container_id> (2,636)
PTN000000068

>  <COMPOUND_NUMBER> (2,636)
WAY-223970

>  <LOCATION_CODE> (2,636)
PTNCS

>  <AMOUNT_CURRENT> (2,636)
33.1

$$$$
WAY-228247
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,637)
2639

>  <Formula> (2,637)
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>  <MolWeight> (2,637)
288.30184

>  <PCAT_CMPD_ID> (2,637)
WAY-228247

>  <CNC_ID> (2,637)
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>  <transfer_container_id> (2,637)
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>  <COMPOUND_NUMBER> (2,637)
WAY-228247

>  <LOCATION_CODE> (2,637)
PTNCS

>  <AMOUNT_CURRENT> (2,637)
33.5

$$$$
WAY-296470
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,638)
2640

>  <Formula> (2,638)
C18H19NO2

>  <MolWeight> (2,638)
281.34896

>  <PCAT_CMPD_ID> (2,638)
WAY-296470

>  <CNC_ID> (2,638)
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>  <transfer_container_id> (2,638)
PTN000000068

>  <COMPOUND_NUMBER> (2,638)
WAY-296470

>  <LOCATION_CODE> (2,638)
PTNCS

>  <AMOUNT_CURRENT> (2,638)
33.5

$$$$
WAY-296475
csChFnd80/10101909502D

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>  <Mol_ID> (2,639)
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>  <Formula> (2,639)
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>  <MolWeight> (2,639)
431.2814

>  <PCAT_CMPD_ID> (2,639)
WAY-296475

>  <CNC_ID> (2,639)
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>  <transfer_container_id> (2,639)
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>  <COMPOUND_NUMBER> (2,639)
WAY-296475

>  <LOCATION_CODE> (2,639)
PTNCS

>  <AMOUNT_CURRENT> (2,639)
33.2

$$$$
WAY-296486
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,640)
2642

>  <Formula> (2,640)
C15H17N3O2S

>  <MolWeight> (2,640)
303.37938

>  <PCAT_CMPD_ID> (2,640)
WAY-296486

>  <CNC_ID> (2,640)
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>  <transfer_container_id> (2,640)
PTN000000068

>  <COMPOUND_NUMBER> (2,640)
WAY-296486

>  <LOCATION_CODE> (2,640)
PTNCS

>  <AMOUNT_CURRENT> (2,640)
33.4

$$$$
WAY-296546
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,641)
2643

>  <Formula> (2,641)
C13H12N4O2

>  <MolWeight> (2,641)
256.25998

>  <PCAT_CMPD_ID> (2,641)
WAY-296546

>  <CNC_ID> (2,641)
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>  <transfer_container_id> (2,641)
PTN000000068

>  <COMPOUND_NUMBER> (2,641)
WAY-296546

>  <LOCATION_CODE> (2,641)
PTNCS

>  <AMOUNT_CURRENT> (2,641)
33.2

$$$$
WAY-296619
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,642)
2644

>  <Formula> (2,642)
C16H15ClN2O3S

>  <MolWeight> (2,642)
350.8199

>  <PCAT_CMPD_ID> (2,642)
WAY-296619

>  <CNC_ID> (2,642)
359343063

>  <transfer_container_id> (2,642)
PTN000000068

>  <COMPOUND_NUMBER> (2,642)
WAY-296619

>  <LOCATION_CODE> (2,642)
PTNCS

>  <AMOUNT_CURRENT> (2,642)
33.1

$$$$
WAY-296768
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,643)
2645

>  <Formula> (2,643)
C15H16N2O5S

>  <MolWeight> (2,643)
336.36294

>  <PCAT_CMPD_ID> (2,643)
WAY-296768

>  <CNC_ID> (2,643)
359343212

>  <transfer_container_id> (2,643)
PTN000000068

>  <COMPOUND_NUMBER> (2,643)
WAY-296768

>  <LOCATION_CODE> (2,643)
PTNCS

>  <AMOUNT_CURRENT> (2,643)
33.2

$$$$
WAY-296795
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,644)
2646

>  <Formula> (2,644)
C21H20N2O4S

>  <MolWeight> (2,644)
396.4595

>  <PCAT_CMPD_ID> (2,644)
WAY-296795

>  <CNC_ID> (2,644)
359343239

>  <transfer_container_id> (2,644)
PTN000000068

>  <COMPOUND_NUMBER> (2,644)
WAY-296795

>  <LOCATION_CODE> (2,644)
PTNCS

>  <AMOUNT_CURRENT> (2,644)
33.2

$$$$
WAY-296799
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,645)
2647

>  <Formula> (2,645)
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>  <CNC_ID> (2,645)
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>  <transfer_container_id> (2,645)
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>  <COMPOUND_NUMBER> (2,645)
WAY-296799

>  <LOCATION_CODE> (2,645)
PTNCS

>  <AMOUNT_CURRENT> (2,645)
33

$$$$
WAY-296855
csChFnd80/10101909502D

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>  <Mol_ID> (2,646)
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>  <Formula> (2,646)
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WAY-296855

>  <CNC_ID> (2,646)
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>  <transfer_container_id> (2,646)
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>  <COMPOUND_NUMBER> (2,646)
WAY-296855

>  <LOCATION_CODE> (2,646)
PTNCS

>  <AMOUNT_CURRENT> (2,646)
33

$$$$
WAY-296886
csChFnd80/10101909502D

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>  <Mol_ID> (2,647)
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>  <Formula> (2,647)
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306.38002

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WAY-296886

>  <CNC_ID> (2,647)
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>  <transfer_container_id> (2,647)
PTN000000068

>  <COMPOUND_NUMBER> (2,647)
WAY-296886

>  <LOCATION_CODE> (2,647)
PTNCS

>  <AMOUNT_CURRENT> (2,647)
33.2

$$$$
WAY-296908
csChFnd80/10101909502D

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>  <Mol_ID> (2,648)
2650

>  <Formula> (2,648)
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>  <MolWeight> (2,648)
282.2509

>  <PCAT_CMPD_ID> (2,648)
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>  <CNC_ID> (2,648)
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>  <transfer_container_id> (2,648)
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>  <COMPOUND_NUMBER> (2,648)
WAY-296908

>  <LOCATION_CODE> (2,648)
PTNCS

>  <AMOUNT_CURRENT> (2,648)
33.2

$$$$
WAY-297156
csChFnd80/10101909502D

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>  <Mol_ID> (2,649)
2651

>  <Formula> (2,649)
C15H13BrClN3O3

>  <MolWeight> (2,649)
398.63902

>  <PCAT_CMPD_ID> (2,649)
WAY-297156

>  <CNC_ID> (2,649)
359343600

>  <transfer_container_id> (2,649)
PTN000000068

>  <COMPOUND_NUMBER> (2,649)
WAY-297156

>  <LOCATION_CODE> (2,649)
PTNCS

>  <AMOUNT_CURRENT> (2,649)
33.2

$$$$
WAY-297263
csChFnd80/10101909502D

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>  <Mol_ID> (2,650)
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>  <Formula> (2,650)
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>  <MolWeight> (2,650)
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>  <PCAT_CMPD_ID> (2,650)
WAY-297263

>  <CNC_ID> (2,650)
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>  <transfer_container_id> (2,650)
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>  <COMPOUND_NUMBER> (2,650)
WAY-297263

>  <LOCATION_CODE> (2,650)
PTNCS

>  <AMOUNT_CURRENT> (2,650)
33.5

$$$$
WAY-297275
csChFnd80/10101909502D

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>  <Mol_ID> (2,651)
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WAY-297275

>  <LOCATION_CODE> (2,651)
PTNCS

>  <AMOUNT_CURRENT> (2,651)
33.2

$$$$
WAY-297280
csChFnd80/10101909502D

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>  <Mol_ID> (2,652)
2654

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C23H20N2O5S

>  <MolWeight> (2,652)
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WAY-297280

>  <CNC_ID> (2,652)
359343724

>  <transfer_container_id> (2,652)
PTN000000068

>  <COMPOUND_NUMBER> (2,652)
WAY-297280

>  <LOCATION_CODE> (2,652)
PTNCS

>  <AMOUNT_CURRENT> (2,652)
33.5

$$$$
WAY-297325
csChFnd80/10101909502D

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>  <COMPOUND_NUMBER> (2,653)
WAY-297325

>  <LOCATION_CODE> (2,653)
PTNCS

>  <AMOUNT_CURRENT> (2,653)
33.1

$$$$
WAY-297335
csChFnd80/10101909502D

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>  <Mol_ID> (2,654)
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>  <Formula> (2,654)
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>  <MolWeight> (2,654)
274.33662

>  <PCAT_CMPD_ID> (2,654)
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>  <CNC_ID> (2,654)
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>  <transfer_container_id> (2,654)
PTN000000068

>  <COMPOUND_NUMBER> (2,654)
WAY-297335

>  <LOCATION_CODE> (2,654)
PTNCS

>  <AMOUNT_CURRENT> (2,654)
33.1

$$$$
WAY-297362
csChFnd80/10101909502D

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2657

>  <Formula> (2,655)
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>  <MolWeight> (2,655)
434.14384

>  <PCAT_CMPD_ID> (2,655)
WAY-297362

>  <CNC_ID> (2,655)
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>  <transfer_container_id> (2,655)
PTN000000068

>  <COMPOUND_NUMBER> (2,655)
WAY-297362

>  <LOCATION_CODE> (2,655)
PTNCS

>  <AMOUNT_CURRENT> (2,655)
33.3

$$$$
WAY-297375-A
csChFnd80/10101909502D

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>  <Formula> (2,656)
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PTN000000068

>  <COMPOUND_NUMBER> (2,656)
WAY-297375-A

>  <LOCATION_CODE> (2,656)
PTNCS

>  <AMOUNT_CURRENT> (2,656)
33.3

$$$$
WAY-297404
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,657)
2659

>  <Formula> (2,657)
C10H11N3O3S

>  <MolWeight> (2,657)
253.27764

>  <PCAT_CMPD_ID> (2,657)
WAY-297404

>  <CNC_ID> (2,657)
359343848

>  <transfer_container_id> (2,657)
PTN000000068

>  <COMPOUND_NUMBER> (2,657)
WAY-297404

>  <LOCATION_CODE> (2,657)
PTNCS

>  <AMOUNT_CURRENT> (2,657)
33.5

$$$$
WAY-297412
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,658)
2660

>  <Formula> (2,658)
C22H19NO2

>  <MolWeight> (2,658)
329.39176

>  <PCAT_CMPD_ID> (2,658)
WAY-297412

>  <CNC_ID> (2,658)
359343856

>  <transfer_container_id> (2,658)
PTN000000068

>  <COMPOUND_NUMBER> (2,658)
WAY-297412

>  <LOCATION_CODE> (2,658)
PTNCS

>  <AMOUNT_CURRENT> (2,658)
33.4

$$$$
WAY-297418
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,659)
2661

>  <Formula> (2,659)
C15H22N2O

>  <MolWeight> (2,659)
246.34798

>  <PCAT_CMPD_ID> (2,659)
WAY-297418

>  <CNC_ID> (2,659)
359343862

>  <transfer_container_id> (2,659)
PTN000000068

>  <COMPOUND_NUMBER> (2,659)
WAY-297418

>  <LOCATION_CODE> (2,659)
PTNCS

>  <AMOUNT_CURRENT> (2,659)
33.1

$$$$
WAY-297434
csChFnd80/10101909502D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,660)
2662

>  <Formula> (2,660)
C20H11N3O3

>  <MolWeight> (2,660)
341.31964

>  <PCAT_CMPD_ID> (2,660)
WAY-297434

>  <CNC_ID> (2,660)
359343878

>  <transfer_container_id> (2,660)
PTN000000068

>  <COMPOUND_NUMBER> (2,660)
WAY-297434

>  <LOCATION_CODE> (2,660)
PTNCS

>  <AMOUNT_CURRENT> (2,660)
33.2

$$$$
WAY-297465
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,661)
2663

>  <Formula> (2,661)
C21H22N2O4S

>  <MolWeight> (2,661)
398.47538

>  <PCAT_CMPD_ID> (2,661)
WAY-297465

>  <CNC_ID> (2,661)
359343909

>  <transfer_container_id> (2,661)
PTN000000068

>  <COMPOUND_NUMBER> (2,661)
WAY-297465

>  <LOCATION_CODE> (2,661)
PTNCS

>  <AMOUNT_CURRENT> (2,661)
33.3

$$$$
WAY-297469
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,662)
2664

>  <Formula> (2,662)
C15H14N4O3S

>  <MolWeight> (2,662)
330.36166

>  <PCAT_CMPD_ID> (2,662)
WAY-297469

>  <CNC_ID> (2,662)
359343913

>  <transfer_container_id> (2,662)
PTN000000068

>  <COMPOUND_NUMBER> (2,662)
WAY-297469

>  <LOCATION_CODE> (2,662)
PTNCS

>  <AMOUNT_CURRENT> (2,662)
33.2

$$$$
WAY-297474-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,663)
2665

>  <Formula> (2,663)
C23H27N5O

>  <MolWeight> (2,663)
389.49338

>  <PCAT_CMPD_ID> (2,663)
WAY-297474-A

>  <CNC_ID> (2,663)
359343918

>  <transfer_container_id> (2,663)
PTN000000068

>  <COMPOUND_NUMBER> (2,663)
WAY-297474-A

>  <LOCATION_CODE> (2,663)
PTNCS

>  <AMOUNT_CURRENT> (2,663)
33.2

$$$$
WAY-297789
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,664)
2666

>  <Formula> (2,664)
C18H21NO5

>  <MolWeight> (2,664)
331.36304

>  <PCAT_CMPD_ID> (2,664)
WAY-297789

>  <CNC_ID> (2,664)
359344233

>  <transfer_container_id> (2,664)
PTN000000068

>  <COMPOUND_NUMBER> (2,664)
WAY-297789

>  <LOCATION_CODE> (2,664)
PTNCS

>  <AMOUNT_CURRENT> (2,664)
33.1

$$$$
WAY-297800
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,665)
2667

>  <Formula> (2,665)
C14H10N2O3S

>  <MolWeight> (2,665)
286.3058

>  <PCAT_CMPD_ID> (2,665)
WAY-297800

>  <CNC_ID> (2,665)
359344244

>  <transfer_container_id> (2,665)
PTN000000068

>  <COMPOUND_NUMBER> (2,665)
WAY-297800

>  <LOCATION_CODE> (2,665)
PTNCS

>  <AMOUNT_CURRENT> (2,665)
33.3

$$$$
WAY-297632
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,666)
2668

>  <Formula> (2,666)
C25H24N4O3

>  <MolWeight> (2,666)
428.48306

>  <PCAT_CMPD_ID> (2,666)
WAY-297632

>  <CNC_ID> (2,666)
359344076

>  <transfer_container_id> (2,666)
PTN000000068

>  <COMPOUND_NUMBER> (2,666)
WAY-297632

>  <LOCATION_CODE> (2,666)
PTNCS

>  <AMOUNT_CURRENT> (2,666)
33.4

$$$$
WL-193651
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,667)
2670

>  <Formula> (2,667)
C13H13BrN2O3

>  <MolWeight> (2,667)
325.15792

>  <PCAT_CMPD_ID> (2,667)
WL-193651

>  <CNC_ID> (2,667)
359353683

>  <transfer_container_id> (2,667)
PTN000000068

>  <COMPOUND_NUMBER> (2,667)
WL-193651

>  <LOCATION_CODE> (2,667)
PTNCS

>  <AMOUNT_CURRENT> (2,667)
33.3

$$$$
GI-557163
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,668)
2671

>  <Formula> (2,668)
C14H15NO3

>  <MolWeight> (2,668)
245.2738

>  <PCAT_CMPD_ID> (2,668)
GI-557163

>  <CNC_ID> (2,668)
359353844

>  <transfer_container_id> (2,668)
PTN000000069

>  <COMPOUND_NUMBER> (2,668)
GI-557163

>  <LOCATION_CODE> (2,668)
PTNCS

>  <AMOUNT_CURRENT> (2,668)
33.1

$$$$
WAY-112961
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,669)
2672

>  <Formula> (2,669)
C15H14N2O3

>  <MolWeight> (2,669)
270.28326

>  <PCAT_CMPD_ID> (2,669)
WAY-112961

>  <CNC_ID> (2,669)
359353881

>  <transfer_container_id> (2,669)
PTN000000069

>  <COMPOUND_NUMBER> (2,669)
WAY-112961

>  <LOCATION_CODE> (2,669)
PTNCS

>  <AMOUNT_CURRENT> (2,669)
33.2

$$$$
WAY-118456
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,670)
2673

>  <Formula> (2,670)
C16H18N2O3S2

>  <MolWeight> (2,670)
350.45572

>  <PCAT_CMPD_ID> (2,670)
WAY-118456

>  <CNC_ID> (2,670)
359353949

>  <transfer_container_id> (2,670)
PTN000000069

>  <COMPOUND_NUMBER> (2,670)
WAY-118456

>  <LOCATION_CODE> (2,670)
PTNCS

>  <AMOUNT_CURRENT> (2,670)
33

$$$$
WAY-216641
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,671)
2674

>  <Formula> (2,671)
C17H22N2O

>  <MolWeight> (2,671)
270.36938

>  <PCAT_CMPD_ID> (2,671)
WAY-216641

>  <CNC_ID> (2,671)
359354014

>  <transfer_container_id> (2,671)
PTN000000069

>  <COMPOUND_NUMBER> (2,671)
WAY-216641

>  <LOCATION_CODE> (2,671)
PTNCS

>  <AMOUNT_CURRENT> (2,671)
33.3

$$$$
WAY-216849
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,672)
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>  <Formula> (2,672)
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>  <MolWeight> (2,672)
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>  <CNC_ID> (2,672)
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>  <transfer_container_id> (2,672)
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>  <COMPOUND_NUMBER> (2,672)
WAY-216849

>  <LOCATION_CODE> (2,672)
PTNCS

>  <AMOUNT_CURRENT> (2,672)
33.2

$$$$
WAY-233282
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,673)
2676

>  <Formula> (2,673)
C19H18N2O4

>  <MolWeight> (2,673)
338.35722

>  <PCAT_CMPD_ID> (2,673)
WAY-233282

>  <CNC_ID> (2,673)
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>  <transfer_container_id> (2,673)
PTN000000069

>  <COMPOUND_NUMBER> (2,673)
WAY-233282

>  <LOCATION_CODE> (2,673)
PTNCS

>  <AMOUNT_CURRENT> (2,673)
33.2

$$$$
WAY-239748
csChFnd80/10101909502D

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>  <Mol_ID> (2,674)
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>  <Formula> (2,674)
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>  <MolWeight> (2,674)
377.41486

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WAY-239748

>  <CNC_ID> (2,674)
359354202

>  <transfer_container_id> (2,674)
PTN000000069

>  <COMPOUND_NUMBER> (2,674)
WAY-239748

>  <LOCATION_CODE> (2,674)
PTNCS

>  <AMOUNT_CURRENT> (2,674)
33.1

$$$$
WAY-298282
csChFnd80/10101909502D

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>  <Mol_ID> (2,675)
2678

>  <Formula> (2,675)
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>  <MolWeight> (2,675)
370.38246

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WAY-298282

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>  <transfer_container_id> (2,675)
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>  <COMPOUND_NUMBER> (2,675)
WAY-298282

>  <LOCATION_CODE> (2,675)
PTNCS

>  <AMOUNT_CURRENT> (2,675)
33.3

$$$$
WAY-298364
csChFnd80/10101909502D

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>  <Mol_ID> (2,676)
2679

>  <Formula> (2,676)
C15H10N2O4S

>  <MolWeight> (2,676)
314.3159

>  <PCAT_CMPD_ID> (2,676)
WAY-298364

>  <CNC_ID> (2,676)
359357358

>  <transfer_container_id> (2,676)
PTN000000069

>  <COMPOUND_NUMBER> (2,676)
WAY-298364

>  <LOCATION_CODE> (2,676)
PTNCS

>  <AMOUNT_CURRENT> (2,676)
33

$$$$
WAY-298572
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,677)
2680

>  <Formula> (2,677)
C21H15N3O5

>  <MolWeight> (2,677)
389.3609

>  <PCAT_CMPD_ID> (2,677)
WAY-298572

>  <CNC_ID> (2,677)
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>  <transfer_container_id> (2,677)
PTN000000069

>  <COMPOUND_NUMBER> (2,677)
WAY-298572

>  <LOCATION_CODE> (2,677)
PTNCS

>  <AMOUNT_CURRENT> (2,677)
33.3

$$$$
WAY-298645
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,678)
2681

>  <Formula> (2,678)
C14H7Cl2NO3

>  <MolWeight> (2,678)
308.11628

>  <PCAT_CMPD_ID> (2,678)
WAY-298645

>  <CNC_ID> (2,678)
359357639

>  <transfer_container_id> (2,678)
PTN000000069

>  <COMPOUND_NUMBER> (2,678)
WAY-298645

>  <LOCATION_CODE> (2,678)
PTNCS

>  <AMOUNT_CURRENT> (2,678)
33.2

$$$$
WAY-298746
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,679)
2682

>  <Formula> (2,679)
C15H18ClN3O2S

>  <MolWeight> (2,679)
339.84032

>  <PCAT_CMPD_ID> (2,679)
WAY-298746

>  <CNC_ID> (2,679)
359357740

>  <transfer_container_id> (2,679)
PTN000000069

>  <COMPOUND_NUMBER> (2,679)
WAY-298746

>  <LOCATION_CODE> (2,679)
PTNCS

>  <AMOUNT_CURRENT> (2,679)
33.2

$$$$
WAY-298761
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
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M  END
>  <Mol_ID> (2,680)
2683

>  <Formula> (2,680)
C12H10Br2N2O

>  <MolWeight> (2,680)
358.0286

>  <PCAT_CMPD_ID> (2,680)
WAY-298761

>  <CNC_ID> (2,680)
359357755

>  <transfer_container_id> (2,680)
PTN000000069

>  <COMPOUND_NUMBER> (2,680)
WAY-298761

>  <LOCATION_CODE> (2,680)
PTNCS

>  <AMOUNT_CURRENT> (2,680)
33.1

$$$$
WAY-298902
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,681)
2684

>  <Formula> (2,681)
C21H24N2O4S

>  <MolWeight> (2,681)
400.49126

>  <PCAT_CMPD_ID> (2,681)
WAY-298902

>  <CNC_ID> (2,681)
359357896

>  <transfer_container_id> (2,681)
PTN000000069

>  <COMPOUND_NUMBER> (2,681)
WAY-298902

>  <LOCATION_CODE> (2,681)
PTNCS

>  <AMOUNT_CURRENT> (2,681)
33.2

$$$$
WAY-298979
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,682)
2685

>  <Formula> (2,682)
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>  <MolWeight> (2,682)
280.36588

>  <PCAT_CMPD_ID> (2,682)
WAY-298979

>  <CNC_ID> (2,682)
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>  <transfer_container_id> (2,682)
PTN000000069

>  <COMPOUND_NUMBER> (2,682)
WAY-298979

>  <LOCATION_CODE> (2,682)
PTNCS

>  <AMOUNT_CURRENT> (2,682)
33.4

$$$$
WAY-299001
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,683)
2686

>  <Formula> (2,683)
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>  <MolWeight> (2,683)
255.2868632

>  <PCAT_CMPD_ID> (2,683)
WAY-299001

>  <CNC_ID> (2,683)
359357995

>  <transfer_container_id> (2,683)
PTN000000069

>  <COMPOUND_NUMBER> (2,683)
WAY-299001

>  <LOCATION_CODE> (2,683)
PTNCS

>  <AMOUNT_CURRENT> (2,683)
33.3

$$$$
WAY-299002
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,684)
2687

>  <Formula> (2,684)
C14H16ClN7O2S

>  <MolWeight> (2,684)
381.84054

>  <PCAT_CMPD_ID> (2,684)
WAY-299002

>  <CNC_ID> (2,684)
359357996

>  <transfer_container_id> (2,684)
PTN000000069

>  <COMPOUND_NUMBER> (2,684)
WAY-299002

>  <LOCATION_CODE> (2,684)
PTNCS

>  <AMOUNT_CURRENT> (2,684)
33.3

$$$$
WAY-299053-A
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,685)
2688

>  <Formula> (2,685)
C15H21N

>  <MolWeight> (2,685)
215.33394

>  <PCAT_CMPD_ID> (2,685)
WAY-299053-A

>  <CNC_ID> (2,685)
359358047

>  <transfer_container_id> (2,685)
PTN000000069

>  <COMPOUND_NUMBER> (2,685)
WAY-299053-A

>  <LOCATION_CODE> (2,685)
PTNCS

>  <AMOUNT_CURRENT> (2,685)
33.1

$$$$
WAY-299072
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,686)
2689

>  <Formula> (2,686)
C11H8N2O3

>  <MolWeight> (2,686)
216.19282

>  <PCAT_CMPD_ID> (2,686)
WAY-299072

>  <CNC_ID> (2,686)
359358066

>  <transfer_container_id> (2,686)
PTN000000069

>  <COMPOUND_NUMBER> (2,686)
WAY-299072

>  <LOCATION_CODE> (2,686)
PTNCS

>  <AMOUNT_CURRENT> (2,686)
33.3

$$$$
WAY-299138
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,687)
2690

>  <Formula> (2,687)
C13H12ClN3O3

>  <MolWeight> (2,687)
293.70568

>  <PCAT_CMPD_ID> (2,687)
WAY-299138

>  <CNC_ID> (2,687)
359358132

>  <transfer_container_id> (2,687)
PTN000000069

>  <COMPOUND_NUMBER> (2,687)
WAY-299138

>  <LOCATION_CODE> (2,687)
PTNCS

>  <AMOUNT_CURRENT> (2,687)
33.4

$$$$
WAY-299157
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,688)
2691

>  <Formula> (2,688)
C11H10N2O2

>  <MolWeight> (2,688)
202.2093

>  <PCAT_CMPD_ID> (2,688)
WAY-299157

>  <CNC_ID> (2,688)
359358151

>  <transfer_container_id> (2,688)
PTN000000069

>  <COMPOUND_NUMBER> (2,688)
WAY-299157

>  <LOCATION_CODE> (2,688)
PTNCS

>  <AMOUNT_CURRENT> (2,688)
33

$$$$
WAY-299445
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,689)
2692

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C19H19N3O4S

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>  <COMPOUND_NUMBER> (2,689)
WAY-299445

>  <LOCATION_CODE> (2,689)
PTNCS

>  <AMOUNT_CURRENT> (2,689)
33.4

$$$$
WAY-299479
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,690)
2693

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>  <MolWeight> (2,690)
373.27022

>  <PCAT_CMPD_ID> (2,690)
WAY-299479

>  <CNC_ID> (2,690)
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>  <transfer_container_id> (2,690)
PTN000000069

>  <COMPOUND_NUMBER> (2,690)
WAY-299479

>  <LOCATION_CODE> (2,690)
PTNCS

>  <AMOUNT_CURRENT> (2,690)
33.5

$$$$
WAY-299531
csChFnd80/10101909502D

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M  END
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2694

>  <Formula> (2,691)
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>  <MolWeight> (2,691)
347.79612

>  <PCAT_CMPD_ID> (2,691)
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>  <transfer_container_id> (2,691)
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>  <COMPOUND_NUMBER> (2,691)
WAY-299531

>  <LOCATION_CODE> (2,691)
PTNCS

>  <AMOUNT_CURRENT> (2,691)
33.4

$$$$
WAY-382555
csChFnd80/10101909502D

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M  END
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2695

>  <Formula> (2,692)
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>  <MolWeight> (2,692)
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>  <PCAT_CMPD_ID> (2,692)
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>  <CNC_ID> (2,692)
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>  <transfer_container_id> (2,692)
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>  <COMPOUND_NUMBER> (2,692)
WAY-382555

>  <LOCATION_CODE> (2,692)
PTNCS

>  <AMOUNT_CURRENT> (2,692)
32.1

$$$$
WAY-382657
csChFnd80/10101909502D

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>  <Formula> (2,693)
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>  <CNC_ID> (2,693)
359360818

>  <transfer_container_id> (2,693)
PTN000000069

>  <COMPOUND_NUMBER> (2,693)
WAY-382657

>  <LOCATION_CODE> (2,693)
PTNCS

>  <AMOUNT_CURRENT> (2,693)
32.6

$$$$
WAY-382700
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
 12 16  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15 18  2  0  0  0  0
 16 14  2  0  0  0  0
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 18 10  1  0  0  0  0
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 20  5  2  0  0  0  0
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 22  8  2  0  0  0  0
 23 24  2  0  0  0  0
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 26 22  1  0  0  0  0
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 15 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,694)
2697

>  <Formula> (2,694)
C20H13F2N3O

>  <MolWeight> (2,694)
349.3335264

>  <PCAT_CMPD_ID> (2,694)
WAY-382700

>  <CNC_ID> (2,694)
359360547

>  <transfer_container_id> (2,694)
PTN000000069

>  <COMPOUND_NUMBER> (2,694)
WAY-382700

>  <LOCATION_CODE> (2,694)
PTNCS

>  <AMOUNT_CURRENT> (2,694)
32

$$$$
WAY-382713
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  1  0  0  0  0
 18  7  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 17 19  2  0  0  0  0
 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,695)
2698

>  <Formula> (2,695)
C12H10Cl3N3O2

>  <MolWeight> (2,695)
334.5857

>  <PCAT_CMPD_ID> (2,695)
WAY-382713

>  <CNC_ID> (2,695)
359360872

>  <transfer_container_id> (2,695)
PTN000000069

>  <COMPOUND_NUMBER> (2,695)
WAY-382713

>  <LOCATION_CODE> (2,695)
PTNCS

>  <AMOUNT_CURRENT> (2,695)
32.4

$$$$
WAY-382782-A
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 17  5  1  0  0  0  0
 18  7  1  0  0  0  0
 19  4  1  0  0  0  0
 20 15  1  0  0  0  0
 21  6  1  0  0  0  0
 22 17  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  6  2  1  0  0  0  0
 24 21  2  0  0  0  0
  5 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,696)
2699

>  <Formula> (2,696)
C18H28N2O4

>  <MolWeight> (2,696)
336.42592

>  <PCAT_CMPD_ID> (2,696)
WAY-382782-A

>  <CNC_ID> (2,696)
359360941

>  <transfer_container_id> (2,696)
PTN000000069

>  <COMPOUND_NUMBER> (2,696)
WAY-382782-A

>  <LOCATION_CODE> (2,696)
PTNCS

>  <AMOUNT_CURRENT> (2,696)
32.2

$$$$
WAY-382809
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 10  9  1  0  0  0  0
 26 30  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,697)
2700

>  <Formula> (2,697)
C23H25FN2O4

>  <MolWeight> (2,697)
412.4540032

>  <PCAT_CMPD_ID> (2,697)
WAY-382809

>  <CNC_ID> (2,697)
359360953

>  <transfer_container_id> (2,697)
PTN000000069

>  <COMPOUND_NUMBER> (2,697)
WAY-382809

>  <LOCATION_CODE> (2,697)
PTNCS

>  <AMOUNT_CURRENT> (2,697)
32

$$$$
WAY-382994
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,698)
2701

>  <Formula> (2,698)
C23H20N2O5

>  <MolWeight> (2,698)
404.4153

>  <PCAT_CMPD_ID> (2,698)
WAY-382994

>  <CNC_ID> (2,698)
359360984

>  <transfer_container_id> (2,698)
PTN000000069

>  <COMPOUND_NUMBER> (2,698)
WAY-382994

>  <LOCATION_CODE> (2,698)
PTNCS

>  <AMOUNT_CURRENT> (2,698)
32.5

$$$$
WAY-384368
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,699)
2702

>  <Formula> (2,699)
C15H12ClN3O2S

>  <MolWeight> (2,699)
333.79268

>  <PCAT_CMPD_ID> (2,699)
WAY-384368

>  <CNC_ID> (2,699)
359361063

>  <transfer_container_id> (2,699)
PTN000000069

>  <COMPOUND_NUMBER> (2,699)
WAY-384368

>  <LOCATION_CODE> (2,699)
PTNCS

>  <AMOUNT_CURRENT> (2,699)
32.9

$$$$
WAY-215855
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 23 26  1  0  0  0  0
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M  END
>  <Mol_ID> (2,700)
2703

>  <Formula> (2,700)
C20H22N4O3

>  <MolWeight> (2,700)
366.41368

>  <PCAT_CMPD_ID> (2,700)
WAY-215855

>  <CNC_ID> (2,700)
359367688

>  <transfer_container_id> (2,700)
PTN000000070

>  <COMPOUND_NUMBER> (2,700)
WAY-215855

>  <LOCATION_CODE> (2,700)
PTNCS

>  <AMOUNT_CURRENT> (2,700)
33.2

$$$$
WAY-226666
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,701)
2704

>  <Formula> (2,701)
C18H17NO3

>  <MolWeight> (2,701)
295.33248

>  <PCAT_CMPD_ID> (2,701)
WAY-226666

>  <CNC_ID> (2,701)
359367745

>  <transfer_container_id> (2,701)
PTN000000070

>  <COMPOUND_NUMBER> (2,701)
WAY-226666

>  <LOCATION_CODE> (2,701)
PTNCS

>  <AMOUNT_CURRENT> (2,701)
33.1

$$$$
WAY-234067
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,702)
2705

>  <Formula> (2,702)
C13H15NO2

>  <MolWeight> (2,702)
217.2637

>  <PCAT_CMPD_ID> (2,702)
WAY-234067

>  <CNC_ID> (2,702)
359367824

>  <transfer_container_id> (2,702)
PTN000000070

>  <COMPOUND_NUMBER> (2,702)
WAY-234067

>  <LOCATION_CODE> (2,702)
PTNCS

>  <AMOUNT_CURRENT> (2,702)
33.3

$$$$
WAY-300090
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,703)
2706

>  <Formula> (2,703)
C17H18ClNO2S

>  <MolWeight> (2,703)
335.84832

>  <PCAT_CMPD_ID> (2,703)
WAY-300090

>  <CNC_ID> (2,703)
359370760

>  <transfer_container_id> (2,703)
PTN000000070

>  <COMPOUND_NUMBER> (2,703)
WAY-300090

>  <LOCATION_CODE> (2,703)
PTNCS

>  <AMOUNT_CURRENT> (2,703)
33.5

$$$$
WAY-300212
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,704)
2707

>  <Formula> (2,704)
C17H13ClO3

>  <MolWeight> (2,704)
300.73632

>  <PCAT_CMPD_ID> (2,704)
WAY-300212

>  <CNC_ID> (2,704)
359370865

>  <transfer_container_id> (2,704)
PTN000000070

>  <COMPOUND_NUMBER> (2,704)
WAY-300212

>  <LOCATION_CODE> (2,704)
PTNCS

>  <AMOUNT_CURRENT> (2,704)
33.5

$$$$
WAY-300225-A
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,705)
2708

>  <Formula> (2,705)
C12H15N3O

>  <MolWeight> (2,705)
217.267

>  <PCAT_CMPD_ID> (2,705)
WAY-300225-A

>  <CNC_ID> (2,705)
359370878

>  <transfer_container_id> (2,705)
PTN000000070

>  <COMPOUND_NUMBER> (2,705)
WAY-300225-A

>  <LOCATION_CODE> (2,705)
PTNCS

>  <AMOUNT_CURRENT> (2,705)
33.1

$$$$
WAY-300229-A
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,706)
2709

>  <Formula> (2,706)
C17H20N2O2

>  <MolWeight> (2,706)
284.3529

>  <PCAT_CMPD_ID> (2,706)
WAY-300229-A

>  <CNC_ID> (2,706)
359370882

>  <transfer_container_id> (2,706)
PTN000000070

>  <COMPOUND_NUMBER> (2,706)
WAY-300229-A

>  <LOCATION_CODE> (2,706)
PTNCS

>  <AMOUNT_CURRENT> (2,706)
33.5

$$$$
WAY-300245-A
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,707)
2710

>  <Formula> (2,707)
C11H22N2

>  <MolWeight> (2,707)
182.30578

>  <PCAT_CMPD_ID> (2,707)
WAY-300245-A

>  <CNC_ID> (2,707)
359370897

>  <transfer_container_id> (2,707)
PTN000000070

>  <COMPOUND_NUMBER> (2,707)
WAY-300245-A

>  <LOCATION_CODE> (2,707)
PTNCS

>  <AMOUNT_CURRENT> (2,707)
33

$$$$
WAY-299889
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,708)
2711

>  <Formula> (2,708)
C24H24N2O

>  <MolWeight> (2,708)
356.46016

>  <PCAT_CMPD_ID> (2,708)
WAY-299889

>  <CNC_ID> (2,708)
359370567

>  <transfer_container_id> (2,708)
PTN000000070

>  <COMPOUND_NUMBER> (2,708)
WAY-299889

>  <LOCATION_CODE> (2,708)
PTNCS

>  <AMOUNT_CURRENT> (2,708)
33.2

$$$$
WAY-300266
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,709)
2712

>  <Formula> (2,709)
C21H18N2O4

>  <MolWeight> (2,709)
362.37862

>  <PCAT_CMPD_ID> (2,709)
WAY-300266

>  <CNC_ID> (2,709)
359370918

>  <transfer_container_id> (2,709)
PTN000000070

>  <COMPOUND_NUMBER> (2,709)
WAY-300266

>  <LOCATION_CODE> (2,709)
PTNCS

>  <AMOUNT_CURRENT> (2,709)
33.4

$$$$
WAY-300535
csChFnd80/10101909502D

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  6  7  1  0  0  0  0
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 17 22  2  0  0  0  0
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M  END
>  <Mol_ID> (2,710)
2713

>  <Formula> (2,710)
C18H12N2OS2

>  <MolWeight> (2,710)
336.43068

>  <PCAT_CMPD_ID> (2,710)
WAY-300535

>  <CNC_ID> (2,710)
359371178

>  <transfer_container_id> (2,710)
PTN000000070

>  <COMPOUND_NUMBER> (2,710)
WAY-300535

>  <LOCATION_CODE> (2,710)
PTNCS

>  <AMOUNT_CURRENT> (2,710)
33.4

$$$$
WAY-301491
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,711)
2714

>  <Formula> (2,711)
C18H28N2O4S2

>  <MolWeight> (2,711)
400.55592

>  <PCAT_CMPD_ID> (2,711)
WAY-301491

>  <CNC_ID> (2,711)
359371829

>  <transfer_container_id> (2,711)
PTN000000070

>  <COMPOUND_NUMBER> (2,711)
WAY-301491

>  <LOCATION_CODE> (2,711)
PTNCS

>  <AMOUNT_CURRENT> (2,711)
33.1

$$$$
WAY-301565
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,712)
2715

>  <Formula> (2,712)
C10H10N4S

>  <MolWeight> (2,712)
218.2782

>  <PCAT_CMPD_ID> (2,712)
WAY-301565

>  <CNC_ID> (2,712)
359371903

>  <transfer_container_id> (2,712)
PTN000000070

>  <COMPOUND_NUMBER> (2,712)
WAY-301565

>  <LOCATION_CODE> (2,712)
PTNCS

>  <AMOUNT_CURRENT> (2,712)
33.3

$$$$
WAY-301635
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,713)
2716

>  <Formula> (2,713)
C21H24N2O2

>  <MolWeight> (2,713)
336.42746

>  <PCAT_CMPD_ID> (2,713)
WAY-301635

>  <CNC_ID> (2,713)
359371973

>  <transfer_container_id> (2,713)
PTN000000070

>  <COMPOUND_NUMBER> (2,713)
WAY-301635

>  <LOCATION_CODE> (2,713)
PTNCS

>  <AMOUNT_CURRENT> (2,713)
33.3

$$$$
WAY-382497
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  8 10  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,714)
2717

>  <Formula> (2,714)
C16H13NO2

>  <MolWeight> (2,714)
251.27992

>  <PCAT_CMPD_ID> (2,714)
WAY-382497

>  <CNC_ID> (2,714)
359372091

>  <transfer_container_id> (2,714)
PTN000000070

>  <COMPOUND_NUMBER> (2,714)
WAY-382497

>  <LOCATION_CODE> (2,714)
PTNCS

>  <AMOUNT_CURRENT> (2,714)
32.7

$$$$
WAY-386419
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 15  9  1  0  0  0  0
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 17 21  2  0  0  0  0
 18 11  2  0  0  0  0
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 22  6  1  0  0  0  0
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 14 17  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,715)
2718

>  <Formula> (2,715)
C19H17N3O3S

>  <MolWeight> (2,715)
367.42158

>  <PCAT_CMPD_ID> (2,715)
WAY-386419

>  <CNC_ID> (2,715)
359372220

>  <transfer_container_id> (2,715)
PTN000000070

>  <COMPOUND_NUMBER> (2,715)
WAY-386419

>  <LOCATION_CODE> (2,715)
PTNCS

>  <AMOUNT_CURRENT> (2,715)
32.3

$$$$
WAY-386514
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  4  1  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 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
  7  9  1  0  0  0  0
  6  5  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,716)
2719

>  <Formula> (2,716)
C12H15N3OS

>  <MolWeight> (2,716)
249.332

>  <PCAT_CMPD_ID> (2,716)
WAY-386514

>  <CNC_ID> (2,716)
359372314

>  <transfer_container_id> (2,716)
PTN000000070

>  <COMPOUND_NUMBER> (2,716)
WAY-386514

>  <LOCATION_CODE> (2,716)
PTNCS

>  <AMOUNT_CURRENT> (2,716)
32.3

$$$$
WAY-388292
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 11  6  2  0  0  0  0
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 13  2  1  0  0  0  0
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 15  2  1  0  0  0  0
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 20  9  1  0  0  0  0
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 29 28  1  0  0  0  0
  3  5  1  0  0  0  0
  8 16  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,717)
2720

>  <Formula> (2,717)
C20H15ClF3NO4

>  <MolWeight> (2,717)
425.7856096

>  <PCAT_CMPD_ID> (2,717)
WAY-388292

>  <CNC_ID> (2,717)
359372435

>  <transfer_container_id> (2,717)
PTN000000070

>  <COMPOUND_NUMBER> (2,717)
WAY-388292

>  <LOCATION_CODE> (2,717)
PTNCS

>  <AMOUNT_CURRENT> (2,717)
32.7

$$$$
WAY-388310
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
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 14  5  2  0  0  0  0
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 17  8  1  0  0  0  0
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 10 16  1  0  0  0  0
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M  END
>  <Mol_ID> (2,718)
2721

>  <Formula> (2,718)
C20H20N2O3

>  <MolWeight> (2,718)
336.3844

>  <PCAT_CMPD_ID> (2,718)
WAY-388310

>  <CNC_ID> (2,718)
359372451

>  <transfer_container_id> (2,718)
PTN000000070

>  <COMPOUND_NUMBER> (2,718)
WAY-388310

>  <LOCATION_CODE> (2,718)
PTNCS

>  <AMOUNT_CURRENT> (2,718)
32.8

$$$$
WAY-388324
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 12  9  1  0  0  0  0
 13 11  2  0  0  0  0
 14  4  1  0  0  0  0
 15  9  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  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
 21 11  1  0  0  0  0
 22 13  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
  4 10  2  0  0  0  0
 13  7  1  0  0  0  0
 20 19  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,719)
2722

>  <Formula> (2,719)
C20H17N3OS

>  <MolWeight> (2,719)
347.43348

>  <PCAT_CMPD_ID> (2,719)
WAY-388324

>  <CNC_ID> (2,719)
359372464

>  <transfer_container_id> (2,719)
PTN000000070

>  <COMPOUND_NUMBER> (2,719)
WAY-388324

>  <LOCATION_CODE> (2,719)
PTNCS

>  <AMOUNT_CURRENT> (2,719)
32.9

$$$$
WAY-388341
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.4042   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292   -8.0542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625  -10.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5125   -9.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8042   -8.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542   -8.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7917  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6917  -11.0875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3417  -12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875   -7.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2792   -9.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3500  -10.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1542  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542  -10.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8042   -9.1792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9875  -12.9917    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  8  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  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10 12  1  0  0  0  0
 11  5  1  0  0  0  0
 12 20  1  0  0  0  0
 13 10  2  0  0  0  0
 14  2  2  0  0  0  0
 15  2  2  0  0  0  0
 16 10  1  0  0  0  0
 17  7  2  0  0  0  0
 18 17  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21 16  2  0  0  0  0
 22 13  1  0  0  0  0
 23  2  1  0  0  0  0
 24 16  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  1  0  0  0  0
  7  6  1  0  0  0  0
 18  8  2  0  0  0  0
 25 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,720)
2723

>  <Formula> (2,720)
C16H12Cl2N2O3S3

>  <MolWeight> (2,720)
447.37908

>  <PCAT_CMPD_ID> (2,720)
WAY-388341

>  <CNC_ID> (2,720)
359372481

>  <transfer_container_id> (2,720)
PTN000000070

>  <COMPOUND_NUMBER> (2,720)
WAY-388341

>  <LOCATION_CODE> (2,720)
PTNCS

>  <AMOUNT_CURRENT> (2,720)
32.5

$$$$
WAY-388621
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   10.0667    5.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292    3.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1167    5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875    6.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6375    6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5417    6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750    8.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1750   -1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5917    3.1208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6375    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0875    9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167    5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0375    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5250    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792    5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    4.0250    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  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  2  0  0  0  0
  8  1  1  0  0  0  0
  9  5  2  0  0  0  0
 10 15  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  1  0  0  0  0
 13 10  2  0  0  0  0
 14 17  2  0  0  0  0
 15 12  1  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  2  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
  3  6  2  0  0  0  0
 14  7  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,721)
2724

>  <Formula> (2,721)
C18H16ClN3O2

>  <MolWeight> (2,721)
341.79154

>  <PCAT_CMPD_ID> (2,721)
WAY-388621

>  <CNC_ID> (2,721)
359372759

>  <transfer_container_id> (2,721)
PTN000000070

>  <COMPOUND_NUMBER> (2,721)
WAY-388621

>  <LOCATION_CODE> (2,721)
PTNCS

>  <AMOUNT_CURRENT> (2,721)
32.8

$$$$
WAY-388683
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.9667   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667   -1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8917   -4.7792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7875   -3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3000   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1042  -11.9167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000  -10.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4042   -3.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -4.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3917    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  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 17  2  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19  4  2  0  0  0  0
 20  5  2  0  0  0  0
 21  7  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
  5  4  1  0  0  0  0
 22 23  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,722)
2725

>  <Formula> (2,722)
C17H14N2O2S2

>  <MolWeight> (2,722)
342.43526

>  <PCAT_CMPD_ID> (2,722)
WAY-388683

>  <CNC_ID> (2,722)
359372821

>  <transfer_container_id> (2,722)
PTN000000070

>  <COMPOUND_NUMBER> (2,722)
WAY-388683

>  <LOCATION_CODE> (2,722)
PTNCS

>  <AMOUNT_CURRENT> (2,722)
32.3

$$$$
WAY-389199
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.1750   -4.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4625   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1542   -5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1167   -6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3750   -7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0417   -8.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4250   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0250   -6.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000  -10.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3500  -11.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 16  1  0  0  0  0
  9  4  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  9  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  2  0  0  0  0
 15  5  1  0  0  0  0
 16 15  2  0  0  0  0
 17  1  1  0  0  0  0
 18  8  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
  2  8  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,723)
2726

>  <Formula> (2,723)
C15H18ClNO5S

>  <MolWeight> (2,723)
359.82512

>  <PCAT_CMPD_ID> (2,723)
WAY-389199

>  <CNC_ID> (2,723)
359373325

>  <transfer_container_id> (2,723)
PTN000000070

>  <COMPOUND_NUMBER> (2,723)
WAY-389199

>  <LOCATION_CODE> (2,723)
PTNCS

>  <AMOUNT_CURRENT> (2,723)
32.4

$$$$
WAY-389316
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.5250   -8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8917   -7.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542   -6.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792   -7.6667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7375   -8.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9500   -9.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250   -9.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6292   -5.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4292   -9.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -7.0542    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  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  5  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  4  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  1  0  0  0  0
 20 19  2  0  0  0  0
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 22 15  2  0  0  0  0
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 25 22  1  0  0  0  0
 26 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 13 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,724)
2727

>  <Formula> (2,724)
C23H23NO2

>  <MolWeight> (2,724)
345.43422

>  <PCAT_CMPD_ID> (2,724)
WAY-389316

>  <CNC_ID> (2,724)
359373441

>  <transfer_container_id> (2,724)
PTN000000070

>  <COMPOUND_NUMBER> (2,724)
WAY-389316

>  <LOCATION_CODE> (2,724)
PTNCS

>  <AMOUNT_CURRENT> (2,724)
32.9

$$$$
WAY-389332
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.7500   -4.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6875   -5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9917   -3.7875    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  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  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  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  5  2  0  0  0  0
 14  2  1  0  0  0  0
 15  8  2  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
  9  8  1  0  0  0  0
 21 20  2  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,725)
2728

>  <Formula> (2,725)
C15H14N2O3S

>  <MolWeight> (2,725)
302.34826

>  <PCAT_CMPD_ID> (2,725)
WAY-389332

>  <CNC_ID> (2,725)
359373457

>  <transfer_container_id> (2,725)
PTN000000070

>  <COMPOUND_NUMBER> (2,725)
WAY-389332

>  <LOCATION_CODE> (2,725)
PTNCS

>  <AMOUNT_CURRENT> (2,725)
32.3

$$$$
WAY-389391
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
   13.4917   -8.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6875   -7.0792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   13.7667  -11.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  2  0  0  0  0
 11  7  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14  8  1  0  0  0  0
 15  7  2  0  0  0  0
 16 13  1  0  0  0  0
 17  1  1  0  0  0  0
 18  4  1  0  0  0  0
 19  6  1  0  0  0  0
 20 17  1  0  0  0  0
 21 11  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
 20 18  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,726)
2729

>  <Formula> (2,726)
C17H25N3O3S

>  <MolWeight> (2,726)
351.4637

>  <PCAT_CMPD_ID> (2,726)
WAY-389391

>  <CNC_ID> (2,726)
359373515

>  <transfer_container_id> (2,726)
PTN000000070

>  <COMPOUND_NUMBER> (2,726)
WAY-389391

>  <LOCATION_CODE> (2,726)
PTNCS

>  <AMOUNT_CURRENT> (2,726)
32.7

$$$$
WAY-389430
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
    5.2292   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  9  2  0  0  0  0
 13 10  2  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16 22  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  1  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,727)
2730

>  <Formula> (2,727)
C16H15FN2O4S

>  <MolWeight> (2,727)
350.3647032

>  <PCAT_CMPD_ID> (2,727)
WAY-389430

>  <CNC_ID> (2,727)
359373555

>  <transfer_container_id> (2,727)
PTN000000070

>  <COMPOUND_NUMBER> (2,727)
WAY-389430

>  <LOCATION_CODE> (2,727)
PTNCS

>  <AMOUNT_CURRENT> (2,727)
32.3

$$$$
WAY-389726
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  9  1  1  0  0  0  0
 10 19  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16  7  1  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 15  1  0  0  0  0
 21 10  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  1  0  0  0  0
  6  5  2  0  0  0  0
 14 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,728)
2731

>  <Formula> (2,728)
C15H18N4O3S

>  <MolWeight> (2,728)
334.39342

>  <PCAT_CMPD_ID> (2,728)
WAY-389726

>  <CNC_ID> (2,728)
359373844

>  <transfer_container_id> (2,728)
PTN000000070

>  <COMPOUND_NUMBER> (2,728)
WAY-389726

>  <LOCATION_CODE> (2,728)
PTNCS

>  <AMOUNT_CURRENT> (2,728)
32.3

$$$$
WAY-389829
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  5  1  0  0  0  0
 13 14  1  0  0  0  0
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 15  8  1  0  0  0  0
 16  3  1  0  0  0  0
 17  6  1  0  0  0  0
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 13  9  2  0  0  0  0
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M  END
>  <Mol_ID> (2,729)
2732

>  <Formula> (2,729)
C22H21NO3

>  <MolWeight> (2,729)
347.40704

>  <PCAT_CMPD_ID> (2,729)
WAY-389829

>  <CNC_ID> (2,729)
359373940

>  <transfer_container_id> (2,729)
PTN000000070

>  <COMPOUND_NUMBER> (2,729)
WAY-389829

>  <LOCATION_CODE> (2,729)
PTNCS

>  <AMOUNT_CURRENT> (2,729)
32.9

$$$$
WAY-389860
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  5  2  0  0  0  0
  4  1  1  0  0  0  0
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  6  2  1  0  0  0  0
  7 19  2  0  0  0  0
  8  3  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  4  1  0  0  0  0
 13  2  2  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16  1  1  0  0  0  0
 17  1  1  0  0  0  0
 18  1  1  0  0  0  0
 19 20  1  0  0  0  0
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 21  4  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 14 23  1  0  0  0  0
  7  3  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,730)
2733

>  <Formula> (2,730)
C16H12F3NO3

>  <MolWeight> (2,730)
323.2665896

>  <PCAT_CMPD_ID> (2,730)
WAY-389860

>  <CNC_ID> (2,730)
359373969

>  <transfer_container_id> (2,730)
PTN000000070

>  <COMPOUND_NUMBER> (2,730)
WAY-389860

>  <LOCATION_CODE> (2,730)
PTNCS

>  <AMOUNT_CURRENT> (2,730)
32.3

$$$$
WAY-390096
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -4.5083   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  1  2  0  0  0  0
 11  3  1  0  0  0  0
 12  3  2  0  0  0  0
 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15 20  1  0  0  0  0
 16  2  2  0  0  0  0
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 18  7  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 18  1  0  0  0  0
 18 16  1  0  0  0  0
  9 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,731)
2734

>  <Formula> (2,731)
C14H11BrFN3O3

>  <MolWeight> (2,731)
368.1578432

>  <PCAT_CMPD_ID> (2,731)
WAY-390096

>  <CNC_ID> (2,731)
359374202

>  <transfer_container_id> (2,731)
PTN000000070

>  <COMPOUND_NUMBER> (2,731)
WAY-390096

>  <LOCATION_CODE> (2,731)
PTNCS

>  <AMOUNT_CURRENT> (2,731)
32.5

$$$$
WAY-223783
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  5  4  2  0  0  0  0
  8  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,732)
2735

>  <Formula> (2,732)
C10H11FN4OS

>  <MolWeight> (2,732)
254.2839432

>  <PCAT_CMPD_ID> (2,732)
WAY-223783

>  <CNC_ID> (2,732)
359380766

>  <transfer_container_id> (2,732)
PTN000000071

>  <COMPOUND_NUMBER> (2,732)
WAY-223783

>  <LOCATION_CODE> (2,732)
PTNCS

>  <AMOUNT_CURRENT> (2,732)
33

$$$$
WAY-239409-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 11  3  1  0  0  0  0
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 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
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  6  8  2  0  0  0  0
  9  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,733)
2736

>  <Formula> (2,733)
C14H25N3

>  <MolWeight> (2,733)
235.3684

>  <PCAT_CMPD_ID> (2,733)
WAY-239409-A

>  <CNC_ID> (2,733)
359380892

>  <transfer_container_id> (2,733)
PTN000000071

>  <COMPOUND_NUMBER> (2,733)
WAY-239409-A

>  <LOCATION_CODE> (2,733)
PTNCS

>  <AMOUNT_CURRENT> (2,733)
33.5

$$$$
WAY-301868
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
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 21 24  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,734)
2737

>  <Formula> (2,734)
C18H16N2O2S2

>  <MolWeight> (2,734)
356.46184

>  <PCAT_CMPD_ID> (2,734)
WAY-301868

>  <CNC_ID> (2,734)
359382854

>  <transfer_container_id> (2,734)
PTN000000071

>  <COMPOUND_NUMBER> (2,734)
WAY-301868

>  <LOCATION_CODE> (2,734)
PTNCS

>  <AMOUNT_CURRENT> (2,734)
33.1

$$$$
WAY-383273
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,735)
2738

>  <Formula> (2,735)
C16H20BrNO3

>  <MolWeight> (2,735)
354.2389

>  <PCAT_CMPD_ID> (2,735)
WAY-383273

>  <CNC_ID> (2,735)
359385441

>  <transfer_container_id> (2,735)
PTN000000071

>  <COMPOUND_NUMBER> (2,735)
WAY-383273

>  <LOCATION_CODE> (2,735)
PTNCS

>  <AMOUNT_CURRENT> (2,735)
32.3

$$$$
WAY-390335
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,736)
2739

>  <Formula> (2,736)
C13H14ClNO4

>  <MolWeight> (2,736)
283.70756

>  <PCAT_CMPD_ID> (2,736)
WAY-390335

>  <CNC_ID> (2,736)
359385704

>  <transfer_container_id> (2,736)
PTN000000071

>  <COMPOUND_NUMBER> (2,736)
WAY-390335

>  <LOCATION_CODE> (2,736)
PTNCS

>  <AMOUNT_CURRENT> (2,736)
32.4

$$$$
WAY-391693
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,737)
2740

>  <Formula> (2,737)
C10H9N3OS2

>  <MolWeight> (2,737)
251.32796

>  <PCAT_CMPD_ID> (2,737)
WAY-391693

>  <CNC_ID> (2,737)
359387008

>  <transfer_container_id> (2,737)
PTN000000071

>  <COMPOUND_NUMBER> (2,737)
WAY-391693

>  <LOCATION_CODE> (2,737)
PTNCS

>  <AMOUNT_CURRENT> (2,737)
32.5

$$$$
WAY-392268
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 11  8  1  0  0  0  0
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 22 20  2  0  0  0  0
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M  END
>  <Mol_ID> (2,738)
2741

>  <Formula> (2,738)
C26H22FN3O2S

>  <MolWeight> (2,738)
459.5351832

>  <PCAT_CMPD_ID> (2,738)
WAY-392268

>  <CNC_ID> (2,738)
359387835

>  <transfer_container_id> (2,738)
PTN000000071

>  <COMPOUND_NUMBER> (2,738)
WAY-392268

>  <LOCATION_CODE> (2,738)
PTNCS

>  <AMOUNT_CURRENT> (2,738)
32.3

$$$$
WAY-115415-A
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 16  6  1  0  0  0  0
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 21  1  1  0  0  0  0
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M  END
>  <Mol_ID> (2,739)
2742

>  <Formula> (2,739)
C18H25NO5

>  <MolWeight> (2,739)
335.3948

>  <PCAT_CMPD_ID> (2,739)
WAY-115415-A

>  <CNC_ID> (2,739)
359394199

>  <transfer_container_id> (2,739)
PTN000000072

>  <COMPOUND_NUMBER> (2,739)
WAY-115415-A

>  <LOCATION_CODE> (2,739)
PTNCS

>  <AMOUNT_CURRENT> (2,739)
33.6

$$$$
WAY-115733
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,740)
2743

>  <Formula> (2,740)
C14H13N3O

>  <MolWeight> (2,740)
239.27252

>  <PCAT_CMPD_ID> (2,740)
WAY-115733

>  <CNC_ID> (2,740)
359394203

>  <transfer_container_id> (2,740)
PTN000000072

>  <COMPOUND_NUMBER> (2,740)
WAY-115733

>  <LOCATION_CODE> (2,740)
PTNCS

>  <AMOUNT_CURRENT> (2,740)
33.2

$$$$
WAY-228606-B
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,741)
2744

>  <Formula> (2,741)
C9H14N2S

>  <MolWeight> (2,741)
182.28586

>  <PCAT_CMPD_ID> (2,741)
WAY-228606-B

>  <CNC_ID> (2,741)
359394366

>  <transfer_container_id> (2,741)
PTN000000072

>  <COMPOUND_NUMBER> (2,741)
WAY-228606-B

>  <LOCATION_CODE> (2,741)
PTNCS

>  <AMOUNT_CURRENT> (2,741)
33.8

$$$$
WAY-303435
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,742)
2745

>  <Formula> (2,742)
C16H24N2O3

>  <MolWeight> (2,742)
292.37336

>  <PCAT_CMPD_ID> (2,742)
WAY-303435

>  <CNC_ID> (2,742)
359394615

>  <transfer_container_id> (2,742)
PTN000000072

>  <COMPOUND_NUMBER> (2,742)
WAY-303435

>  <LOCATION_CODE> (2,742)
PTNCS

>  <AMOUNT_CURRENT> (2,742)
33.2

$$$$
WAY-303566
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  7  1  0  0  0  0
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 16  9  2  0  0  0  0
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 12 11  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,743)
2746

>  <Formula> (2,743)
C14H13N5O3

>  <MolWeight> (2,743)
299.28472

>  <PCAT_CMPD_ID> (2,743)
WAY-303566

>  <CNC_ID> (2,743)
359394746

>  <transfer_container_id> (2,743)
PTN000000072

>  <COMPOUND_NUMBER> (2,743)
WAY-303566

>  <LOCATION_CODE> (2,743)
PTNCS

>  <AMOUNT_CURRENT> (2,743)
33.2

$$$$
WAY-304382
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (2,744)
2747

>  <Formula> (2,744)
C17H12O3

>  <MolWeight> (2,744)
264.27538

>  <PCAT_CMPD_ID> (2,744)
WAY-304382

>  <CNC_ID> (2,744)
359395562

>  <transfer_container_id> (2,744)
PTN000000072

>  <COMPOUND_NUMBER> (2,744)
WAY-304382

>  <LOCATION_CODE> (2,744)
PTNCS

>  <AMOUNT_CURRENT> (2,744)
33.5

$$$$
WAY-304779-A
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,745)
2748

>  <Formula> (2,745)
C11H22N2

>  <MolWeight> (2,745)
182.30578

>  <PCAT_CMPD_ID> (2,745)
WAY-304779-A

>  <CNC_ID> (2,745)
359395959

>  <transfer_container_id> (2,745)
PTN000000072

>  <COMPOUND_NUMBER> (2,745)
WAY-304779-A

>  <LOCATION_CODE> (2,745)
PTNCS

>  <AMOUNT_CURRENT> (2,745)
33.1

$$$$
WAY-305027
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (2,746)
2749

>  <Formula> (2,746)
C11H10FN3O

>  <MolWeight> (2,746)
219.2150032

>  <PCAT_CMPD_ID> (2,746)
WAY-305027

>  <CNC_ID> (2,746)
359396204

>  <transfer_container_id> (2,746)
PTN000000072

>  <COMPOUND_NUMBER> (2,746)
WAY-305027

>  <LOCATION_CODE> (2,746)
PTNCS

>  <AMOUNT_CURRENT> (2,746)
33.7

$$$$
WAY-305358
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  9 12  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  1  0  0  0  0
  5  2  1  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (2,747)
2750

>  <Formula> (2,747)
C11H22N4S

>  <MolWeight> (2,747)
242.38418

>  <PCAT_CMPD_ID> (2,747)
WAY-305358

>  <CNC_ID> (2,747)
359396534

>  <transfer_container_id> (2,747)
PTN000000072

>  <COMPOUND_NUMBER> (2,747)
WAY-305358

>  <LOCATION_CODE> (2,747)
PTNCS

>  <AMOUNT_CURRENT> (2,747)
33.8

$$$$
WAY-384762
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
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 16 11  2  0  0  0  0
 17 15  2  0  0  0  0
  4  3  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,748)
2751

>  <Formula> (2,748)
C10H8BrN5O

>  <MolWeight> (2,748)
294.10742

>  <PCAT_CMPD_ID> (2,748)
WAY-384762

>  <CNC_ID> (2,748)
359400725

>  <transfer_container_id> (2,748)
PTN000000072

>  <COMPOUND_NUMBER> (2,748)
WAY-384762

>  <LOCATION_CODE> (2,748)
PTNCS

>  <AMOUNT_CURRENT> (2,748)
32.2

$$$$
WAY-384797
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
  3  5  1  0  0  0  0
 12  7  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,749)
2752

>  <Formula> (2,749)
C16H17N3O

>  <MolWeight> (2,749)
267.32568

>  <PCAT_CMPD_ID> (2,749)
WAY-384797

>  <CNC_ID> (2,749)
359400760

>  <transfer_container_id> (2,749)
PTN000000072

>  <COMPOUND_NUMBER> (2,749)
WAY-384797

>  <LOCATION_CODE> (2,749)
PTNCS

>  <AMOUNT_CURRENT> (2,749)
32.1

$$$$
WAY-384821
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15  1  1  0  0  0  0
 16  5  1  0  0  0  0
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 22 20  1  0  0  0  0
  4  3  1  0  0  0  0
 22 21  1  0  0  0  0
  7 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,750)
2753

>  <Formula> (2,750)
C15H16F3N3O

>  <MolWeight> (2,750)
311.3022496

>  <PCAT_CMPD_ID> (2,750)
WAY-384821

>  <CNC_ID> (2,750)
359400784

>  <transfer_container_id> (2,750)
PTN000000072

>  <COMPOUND_NUMBER> (2,750)
WAY-384821

>  <LOCATION_CODE> (2,750)
PTNCS

>  <AMOUNT_CURRENT> (2,750)
32.7

$$$$
WAY-384825
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 16 20  1  0  0  0  0
 19 18  2  0  0  0  0
M  END
>  <Mol_ID> (2,751)
2754

>  <Formula> (2,751)
C16H12N2OS

>  <MolWeight> (2,751)
280.34428

>  <PCAT_CMPD_ID> (2,751)
WAY-384825

>  <CNC_ID> (2,751)
359400788

>  <transfer_container_id> (2,751)
PTN000000072

>  <COMPOUND_NUMBER> (2,751)
WAY-384825

>  <LOCATION_CODE> (2,751)
PTNCS

>  <AMOUNT_CURRENT> (2,751)
32.4

$$$$
WAY-384849
csChFnd80/10101909502D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,752)
2755

>  <Formula> (2,752)
C24H21N5O2S

>  <MolWeight> (2,752)
443.52084

>  <PCAT_CMPD_ID> (2,752)
WAY-384849

>  <CNC_ID> (2,752)
359400812

>  <transfer_container_id> (2,752)
PTN000000072

>  <COMPOUND_NUMBER> (2,752)
WAY-384849

>  <LOCATION_CODE> (2,752)
PTNCS

>  <AMOUNT_CURRENT> (2,752)
32.5

$$$$
WAY-384856
csChFnd80/10101909502D

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 11  5  2  0  0  0  0
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M  END
>  <Mol_ID> (2,753)
2756

>  <Formula> (2,753)
C17H17ClF3NO2

>  <MolWeight> (2,753)
359.7705896

>  <PCAT_CMPD_ID> (2,753)
WAY-384856

>  <CNC_ID> (2,753)
359400819

>  <transfer_container_id> (2,753)
PTN000000072

>  <COMPOUND_NUMBER> (2,753)
WAY-384856

>  <LOCATION_CODE> (2,753)
PTNCS

>  <AMOUNT_CURRENT> (2,753)
32.3

$$$$
WAY-385229
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,754)
2757

>  <Formula> (2,754)
C10H16N4OS2

>  <MolWeight> (2,754)
272.39024

>  <PCAT_CMPD_ID> (2,754)
WAY-385229

>  <CNC_ID> (2,754)
359401150

>  <transfer_container_id> (2,754)
PTN000000072

>  <COMPOUND_NUMBER> (2,754)
WAY-385229

>  <LOCATION_CODE> (2,754)
PTNCS

>  <AMOUNT_CURRENT> (2,754)
32

$$$$
WAY-391441
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,755)
2758

>  <Formula> (2,755)
C17H23NO2

>  <MolWeight> (2,755)
273.37002

>  <PCAT_CMPD_ID> (2,755)
WAY-391441

>  <CNC_ID> (2,755)
359401375

>  <transfer_container_id> (2,755)
PTN000000072

>  <COMPOUND_NUMBER> (2,755)
WAY-391441

>  <LOCATION_CODE> (2,755)
PTNCS

>  <AMOUNT_CURRENT> (2,755)
33

$$$$
WL-166564
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,756)
2759

>  <Formula> (2,756)
C10H10N2O2

>  <MolWeight> (2,756)
190.1986

>  <PCAT_CMPD_ID> (2,756)
WL-166564

>  <CNC_ID> (2,756)
359407640

>  <transfer_container_id> (2,756)
PTN000000072

>  <COMPOUND_NUMBER> (2,756)
WL-166564

>  <LOCATION_CODE> (2,756)
PTNCS

>  <AMOUNT_CURRENT> (2,756)
33.5

$$$$
WL-230135
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,757)
2760

>  <Formula> (2,757)
C19H18Cl2O4

>  <MolWeight> (2,757)
381.24982

>  <PCAT_CMPD_ID> (2,757)
WL-230135

>  <CNC_ID> (2,757)
359407642

>  <transfer_container_id> (2,757)
PTN000000072

>  <COMPOUND_NUMBER> (2,757)
WL-230135

>  <LOCATION_CODE> (2,757)
PTNCS

>  <AMOUNT_CURRENT> (2,757)
33.6

$$$$
CL-20685
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  7  9  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,758)
2761

>  <Formula> (2,758)
C17H18N2O2

>  <MolWeight> (2,758)
282.33702

>  <PCAT_CMPD_ID> (2,758)
CL-20685

>  <CNC_ID> (2,758)
359407652

>  <transfer_container_id> (2,758)
PTN000000073

>  <COMPOUND_NUMBER> (2,758)
CL-20685

>  <LOCATION_CODE> (2,758)
PTNCS

>  <AMOUNT_CURRENT> (2,758)
32.8

$$$$
WAY-305801
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,759)
2762

>  <Formula> (2,759)
C21H25BrN2O3S

>  <MolWeight> (2,759)
465.4038

>  <PCAT_CMPD_ID> (2,759)
WAY-305801

>  <CNC_ID> (2,759)
359408302

>  <transfer_container_id> (2,759)
PTN000000073

>  <COMPOUND_NUMBER> (2,759)
WAY-305801

>  <LOCATION_CODE> (2,759)
PTNCS

>  <AMOUNT_CURRENT> (2,759)
33.6

$$$$
WAY-306240
csChFnd80/10101909502D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,760)
2763

>  <Formula> (2,760)
C28H21NO5

>  <MolWeight> (2,760)
451.47004

>  <PCAT_CMPD_ID> (2,760)
WAY-306240

>  <CNC_ID> (2,760)
359408740

>  <transfer_container_id> (2,760)
PTN000000073

>  <COMPOUND_NUMBER> (2,760)
WAY-306240

>  <LOCATION_CODE> (2,760)
PTNCS

>  <AMOUNT_CURRENT> (2,760)
33.7

$$$$
WAY-306249-A
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,761)
2764

>  <Formula> (2,761)
C18H19NO3

>  <MolWeight> (2,761)
297.34836

>  <PCAT_CMPD_ID> (2,761)
WAY-306249-A

>  <CNC_ID> (2,761)
359408749

>  <transfer_container_id> (2,761)
PTN000000073

>  <COMPOUND_NUMBER> (2,761)
WAY-306249-A

>  <LOCATION_CODE> (2,761)
PTNCS

>  <AMOUNT_CURRENT> (2,761)
33.9

$$$$
WAY-306270
csChFnd80/10101909502D

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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (2,762)
2765

>  <Formula> (2,762)
C20H21NO4

>  <MolWeight> (2,762)
339.38504

>  <PCAT_CMPD_ID> (2,762)
WAY-306270

>  <CNC_ID> (2,762)
359408770

>  <transfer_container_id> (2,762)
PTN000000073

>  <COMPOUND_NUMBER> (2,762)
WAY-306270

>  <LOCATION_CODE> (2,762)
PTNCS

>  <AMOUNT_CURRENT> (2,762)
33.2

$$$$
WAY-306284
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
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 17  5  1  0  0  0  0
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 10  9  2  0  0  0  0
  2  4  1  0  0  0  0
 21 11  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,763)
2766

>  <Formula> (2,763)
C17H18N4O3

>  <MolWeight> (2,763)
326.34982

>  <PCAT_CMPD_ID> (2,763)
WAY-306284

>  <CNC_ID> (2,763)
359408784

>  <transfer_container_id> (2,763)
PTN000000073

>  <COMPOUND_NUMBER> (2,763)
WAY-306284

>  <LOCATION_CODE> (2,763)
PTNCS

>  <AMOUNT_CURRENT> (2,763)
33.5

$$$$
WAY-306349
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 11 13  1  0  0  0  0
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 15 17  1  0  0  0  0
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,764)
2767

>  <Formula> (2,764)
C10H7N3O3S

>  <MolWeight> (2,764)
249.24588

>  <PCAT_CMPD_ID> (2,764)
WAY-306349

>  <CNC_ID> (2,764)
359408849

>  <transfer_container_id> (2,764)
PTN000000073

>  <COMPOUND_NUMBER> (2,764)
WAY-306349

>  <LOCATION_CODE> (2,764)
PTNCS

>  <AMOUNT_CURRENT> (2,764)
33.6

$$$$
WAY-306961
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.6241   -0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (2,765)
2768

>  <Formula> (2,765)
C19H13NO5

>  <MolWeight> (2,765)
335.31022

>  <PCAT_CMPD_ID> (2,765)
WAY-306961

>  <CNC_ID> (2,765)
359409459

>  <transfer_container_id> (2,765)
PTN000000073

>  <COMPOUND_NUMBER> (2,765)
WAY-306961

>  <LOCATION_CODE> (2,765)
PTNCS

>  <AMOUNT_CURRENT> (2,765)
33.2

$$$$
WAY-306994
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  7  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,766)
2769

>  <Formula> (2,766)
C17H18ClNO2

>  <MolWeight> (2,766)
303.78332

>  <PCAT_CMPD_ID> (2,766)
WAY-306994

>  <CNC_ID> (2,766)
359409492

>  <transfer_container_id> (2,766)
PTN000000073

>  <COMPOUND_NUMBER> (2,766)
WAY-306994

>  <LOCATION_CODE> (2,766)
PTNCS

>  <AMOUNT_CURRENT> (2,766)
33.2

$$$$
WAY-385708
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
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 17  8  1  0  0  0  0
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M  END
>  <Mol_ID> (2,767)
2770

>  <Formula> (2,767)
C18H19N3O4S

>  <MolWeight> (2,767)
373.42616

>  <PCAT_CMPD_ID> (2,767)
WAY-385708

>  <CNC_ID> (2,767)
359412671

>  <transfer_container_id> (2,767)
PTN000000073

>  <COMPOUND_NUMBER> (2,767)
WAY-385708

>  <LOCATION_CODE> (2,767)
PTNCS

>  <AMOUNT_CURRENT> (2,767)
32.3

$$$$
WAY-386111
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,768)
2771

>  <Formula> (2,768)
C19H25ClN2O6

>  <MolWeight> (2,768)
412.8646

>  <PCAT_CMPD_ID> (2,768)
WAY-386111

>  <CNC_ID> (2,768)
359413059

>  <transfer_container_id> (2,768)
PTN000000073

>  <COMPOUND_NUMBER> (2,768)
WAY-386111

>  <LOCATION_CODE> (2,768)
PTNCS

>  <AMOUNT_CURRENT> (2,768)
32.6

$$$$
WAY-309104
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,769)
2772

>  <Formula> (2,769)
C12H10N2O2S

>  <MolWeight> (2,769)
246.285

>  <PCAT_CMPD_ID> (2,769)
WAY-309104

>  <CNC_ID> (2,769)
359421956

>  <transfer_container_id> (2,769)
PTN000000074

>  <COMPOUND_NUMBER> (2,769)
WAY-309104

>  <LOCATION_CODE> (2,769)
PTNCS

>  <AMOUNT_CURRENT> (2,769)
33

$$$$
WAY-341775
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,770)
2773

>  <Formula> (2,770)
C18H21NO3S

>  <MolWeight> (2,770)
331.42924

>  <PCAT_CMPD_ID> (2,770)
WAY-341775

>  <CNC_ID> (2,770)
359426720

>  <transfer_container_id> (2,770)
PTN000000074

>  <COMPOUND_NUMBER> (2,770)
WAY-341775

>  <LOCATION_CODE> (2,770)
PTNCS

>  <AMOUNT_CURRENT> (2,770)
32.9

$$$$
WAY-341782
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 30 29  2  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,771)
2774

>  <Formula> (2,771)
C23H24N2O5

>  <MolWeight> (2,771)
408.44706

>  <PCAT_CMPD_ID> (2,771)
WAY-341782

>  <CNC_ID> (2,771)
359426727

>  <transfer_container_id> (2,771)
PTN000000074

>  <COMPOUND_NUMBER> (2,771)
WAY-341782

>  <LOCATION_CODE> (2,771)
PTNCS

>  <AMOUNT_CURRENT> (2,771)
32.3

$$$$
WAY-347397
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 22  6  1  0  0  0  0
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  3  5  1  0  0  0  0
 12  6  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,772)
2775

>  <Formula> (2,772)
C20H20N2O2

>  <MolWeight> (2,772)
320.385

>  <PCAT_CMPD_ID> (2,772)
WAY-347397

>  <CNC_ID> (2,772)
359435260

>  <transfer_container_id> (2,772)
PTN000000075

>  <COMPOUND_NUMBER> (2,772)
WAY-347397

>  <LOCATION_CODE> (2,772)
PTNCS

>  <AMOUNT_CURRENT> (2,772)
32.2

$$$$
WAY-349362
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 16  5  1  0  0  0  0
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  4  5  1  0  0  0  0
 12 13  2  0  0  0  0
 15 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,773)
2776

>  <Formula> (2,773)
C17H17ClN2O3

>  <MolWeight> (2,773)
332.78148

>  <PCAT_CMPD_ID> (2,773)
WAY-349362

>  <CNC_ID> (2,773)
359437148

>  <transfer_container_id> (2,773)
PTN000000075

>  <COMPOUND_NUMBER> (2,773)
WAY-349362

>  <LOCATION_CODE> (2,773)
PTNCS

>  <AMOUNT_CURRENT> (2,773)
32.7

$$$$
WAY-352482
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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 11  8  2  0  0  0  0
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 20 10  1  0  0  0  0
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 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (2,774)
2777

>  <Formula> (2,774)
C14H14Cl2N2OS

>  <MolWeight> (2,774)
329.24476

>  <PCAT_CMPD_ID> (2,774)
WAY-352482

>  <CNC_ID> (2,774)
359440156

>  <transfer_container_id> (2,774)
PTN000000075

>  <COMPOUND_NUMBER> (2,774)
WAY-352482

>  <LOCATION_CODE> (2,774)
PTNCS

>  <AMOUNT_CURRENT> (2,774)
32.5

$$$$
WAY-353318
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,775)
2778

>  <Formula> (2,775)
C17H17N3O2

>  <MolWeight> (2,775)
295.33578

>  <PCAT_CMPD_ID> (2,775)
WAY-353318

>  <CNC_ID> (2,775)
359440965

>  <transfer_container_id> (2,775)
PTN000000075

>  <COMPOUND_NUMBER> (2,775)
WAY-353318

>  <LOCATION_CODE> (2,775)
PTNCS

>  <AMOUNT_CURRENT> (2,775)
33

$$$$
WAY-358002-A
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,776)
2779

>  <Formula> (2,776)
C13H11Cl2NO2S

>  <MolWeight> (2,776)
316.20294

>  <PCAT_CMPD_ID> (2,776)
WAY-358002-A

>  <CNC_ID> (2,776)
359445742

>  <transfer_container_id> (2,776)
PTN000000076

>  <COMPOUND_NUMBER> (2,776)
WAY-358002-A

>  <LOCATION_CODE> (2,776)
PTNCS

>  <AMOUNT_CURRENT> (2,776)
32.6

$$$$
WAY-358317
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,777)
2780

>  <Formula> (2,777)
C16H15N3

>  <MolWeight> (2,777)
249.3104

>  <PCAT_CMPD_ID> (2,777)
WAY-358317

>  <CNC_ID> (2,777)
359446043

>  <transfer_container_id> (2,777)
PTN000000076

>  <COMPOUND_NUMBER> (2,777)
WAY-358317

>  <LOCATION_CODE> (2,777)
PTNCS

>  <AMOUNT_CURRENT> (2,777)
32.2

$$$$
WAY-358474
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,778)
2781

>  <Formula> (2,778)
C17H14N2O2

>  <MolWeight> (2,778)
278.30526

>  <PCAT_CMPD_ID> (2,778)
WAY-358474

>  <CNC_ID> (2,778)
359446194

>  <transfer_container_id> (2,778)
PTN000000076

>  <COMPOUND_NUMBER> (2,778)
WAY-358474

>  <LOCATION_CODE> (2,778)
PTNCS

>  <AMOUNT_CURRENT> (2,778)
32.1

$$$$
WAY-358629
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
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  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 12  2  0  0  0  0
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 17 13  1  0  0  0  0
 18  7  2  0  0  0  0
 19  8  1  0  0  0  0
 20 17  1  0  0  0  0
 13 14  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,779)
2782

>  <Formula> (2,779)
C13H12N4O3

>  <MolWeight> (2,779)
272.25938

>  <PCAT_CMPD_ID> (2,779)
WAY-358629

>  <CNC_ID> (2,779)
359446341

>  <transfer_container_id> (2,779)
PTN000000076

>  <COMPOUND_NUMBER> (2,779)
WAY-358629

>  <LOCATION_CODE> (2,779)
PTNCS

>  <AMOUNT_CURRENT> (2,779)
32.5

$$$$
WAY-381659
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15  1  1  0  0  0  0
 16  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 19  8  1  0  0  0  0
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 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  2  3  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,780)
2783

>  <Formula> (2,780)
C15H16Cl2O5

>  <MolWeight> (2,780)
347.19054

>  <PCAT_CMPD_ID> (2,780)
WAY-381659

>  <CNC_ID> (2,780)
359449327

>  <transfer_container_id> (2,780)
PTN000000076

>  <COMPOUND_NUMBER> (2,780)
WAY-381659

>  <LOCATION_CODE> (2,780)
PTNCS

>  <AMOUNT_CURRENT> (2,780)
32.5

$$$$
WAY-312154
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 22 24  2  0  0  0  0
  7  8  2  0  0  0  0
 10 13  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,781)
2784

>  <Formula> (2,781)
C17H13NO5S

>  <MolWeight> (2,781)
343.35382

>  <PCAT_CMPD_ID> (2,781)
WAY-312154

>  <CNC_ID> (2,781)
359315894

>  <transfer_container_id> (2,781)
PTN000000065

>  <COMPOUND_NUMBER> (2,781)
WAY-312154

>  <LOCATION_CODE> (2,781)
PTNCS

>  <AMOUNT_CURRENT> (2,781)
33.9

$$$$
WAY-615973
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 12  3  2  0  0  0  0
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 27 28  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,782)
2785

>  <Formula> (2,782)
C21H23N3O3S

>  <MolWeight> (2,782)
397.49062

>  <PCAT_CMPD_ID> (2,782)
WAY-615973

>  <CNC_ID> (2,782)
359321058

>  <transfer_container_id> (2,782)
PTN000000065

>  <COMPOUND_NUMBER> (2,782)
WAY-615973

>  <LOCATION_CODE> (2,782)
PTNCS

>  <AMOUNT_CURRENT> (2,782)
32.2

$$$$
WAY-615896
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 14  7  1  0  0  0  0
 13  6  2  0  0  0  0
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M  END
>  <Mol_ID> (2,783)
2786

>  <Formula> (2,783)
C23H30N4O2

>  <MolWeight> (2,783)
394.5099

>  <PCAT_CMPD_ID> (2,783)
WAY-615896

>  <CNC_ID> (2,783)
359320981

>  <transfer_container_id> (2,783)
PTN000000065

>  <COMPOUND_NUMBER> (2,783)
WAY-615896

>  <LOCATION_CODE> (2,783)
PTNCS

>  <AMOUNT_CURRENT> (2,783)
32.4

$$$$
WAY-616387
csChFnd80/10101909502D

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 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
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 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
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 22 20  2  0  0  0  0
 10  8  2  0  0  0  0
  4  6  1  0  0  0  0
 21 22  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,784)
2787

>  <Formula> (2,784)
C17H11BrN4

>  <MolWeight> (2,784)
351.20004

>  <PCAT_CMPD_ID> (2,784)
WAY-616387

>  <CNC_ID> (2,784)
359321472

>  <transfer_container_id> (2,784)
PTN000000065

>  <COMPOUND_NUMBER> (2,784)
WAY-616387

>  <LOCATION_CODE> (2,784)
PTNCS

>  <AMOUNT_CURRENT> (2,784)
32.1

$$$$
WAY-642321
csChFnd80/10101909502D

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  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  2  2  0  0  0  0
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 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  1  0  0  0  0
 15  4  2  0  0  0  0
 16  3  1  0  0  0  0
 17  8  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
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 25 20  1  0  0  0  0
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 12 17  2  0  0  0  0
 18 13  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (2,785)
2788

>  <Formula> (2,785)
C19H21N3O4S

>  <MolWeight> (2,785)
387.45274

>  <PCAT_CMPD_ID> (2,785)
WAY-642321

>  <CNC_ID> (2,785)
359324059

>  <transfer_container_id> (2,785)
PTN000000065

>  <COMPOUND_NUMBER> (2,785)
WAY-642321

>  <LOCATION_CODE> (2,785)
PTNCS

>  <AMOUNT_CURRENT> (2,785)
32.9

$$$$
WAY-663122
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  4  2  0  0  0  0
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 15  5  2  0  0  0  0
 16  8  1  0  0  0  0
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 18  3  1  0  0  0  0
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  4  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,786)
2789

>  <Formula> (2,786)
C12H14N2O2S2

>  <MolWeight> (2,786)
282.38176

>  <PCAT_CMPD_ID> (2,786)
WAY-663122

>  <CNC_ID> (2,786)
359326025

>  <transfer_container_id> (2,786)
PTN000000065

>  <COMPOUND_NUMBER> (2,786)
WAY-663122

>  <LOCATION_CODE> (2,786)
PTNCS

>  <AMOUNT_CURRENT> (2,786)
32.8

$$$$
WAY-616211
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 15  6  2  0  0  0  0
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 13  9  1  0  0  0  0
  8 16  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,787)
2790

>  <Formula> (2,787)
C17H11NO3S

>  <MolWeight> (2,787)
309.33914

>  <PCAT_CMPD_ID> (2,787)
WAY-616211

>  <CNC_ID> (2,787)
359321296

>  <transfer_container_id> (2,787)
PTN000000065

>  <COMPOUND_NUMBER> (2,787)
WAY-616211

>  <LOCATION_CODE> (2,787)
PTNCS

>  <AMOUNT_CURRENT> (2,787)
32.7

$$$$
WAY-642605
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,788)
2791

>  <Formula> (2,788)
C19H17FN2OS

>  <MolWeight> (2,788)
340.4144832

>  <PCAT_CMPD_ID> (2,788)
WAY-642605

>  <CNC_ID> (2,788)
359324343

>  <transfer_container_id> (2,788)
PTN000000065

>  <COMPOUND_NUMBER> (2,788)
WAY-642605

>  <LOCATION_CODE> (2,788)
PTNCS

>  <AMOUNT_CURRENT> (2,788)
32.6

$$$$
WAY-613068
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,789)
2792

>  <Formula> (2,789)
C14H13NO5

>  <MolWeight> (2,789)
275.25672

>  <PCAT_CMPD_ID> (2,789)
WAY-613068

>  <CNC_ID> (2,789)
359348969

>  <transfer_container_id> (2,789)
PTN000000068

>  <COMPOUND_NUMBER> (2,789)
WAY-613068

>  <LOCATION_CODE> (2,789)
PTNCS

>  <AMOUNT_CURRENT> (2,789)
32.7

$$$$
WAY-628730
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,790)
2793

>  <Formula> (2,790)
C14H15NOS

>  <MolWeight> (2,790)
245.34

>  <PCAT_CMPD_ID> (2,790)
WAY-628730

>  <CNC_ID> (2,790)
359349881

>  <transfer_container_id> (2,790)
PTN000000068

>  <COMPOUND_NUMBER> (2,790)
WAY-628730

>  <LOCATION_CODE> (2,790)
PTNCS

>  <AMOUNT_CURRENT> (2,790)
32.3

$$$$
WAY-628761
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,791)
2794

>  <Formula> (2,791)
C17H22Cl2FN3O2

>  <MolWeight> (2,791)
390.2798832

>  <PCAT_CMPD_ID> (2,791)
WAY-628761

>  <CNC_ID> (2,791)
359349912

>  <transfer_container_id> (2,791)
PTN000000068

>  <COMPOUND_NUMBER> (2,791)
WAY-628761

>  <LOCATION_CODE> (2,791)
PTNCS

>  <AMOUNT_CURRENT> (2,791)
32.7

$$$$
WAY-628779
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,792)
2795

>  <Formula> (2,792)
C14H10ClN3O2

>  <MolWeight> (2,792)
287.7011

>  <PCAT_CMPD_ID> (2,792)
WAY-628779

>  <CNC_ID> (2,792)
359349930

>  <transfer_container_id> (2,792)
PTN000000068

>  <COMPOUND_NUMBER> (2,792)
WAY-628779

>  <LOCATION_CODE> (2,792)
PTNCS

>  <AMOUNT_CURRENT> (2,792)
32.1

$$$$
WAY-629164
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,793)
2796

>  <Formula> (2,793)
C16H11N3OS

>  <MolWeight> (2,793)
293.34304

>  <PCAT_CMPD_ID> (2,793)
WAY-629164

>  <CNC_ID> (2,793)
359350314

>  <transfer_container_id> (2,793)
PTN000000068

>  <COMPOUND_NUMBER> (2,793)
WAY-629164

>  <LOCATION_CODE> (2,793)
PTNCS

>  <AMOUNT_CURRENT> (2,793)
32.6

$$$$
WAY-630126
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,794)
2797

>  <Formula> (2,794)
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>  <MolWeight> (2,794)
253.25604

>  <PCAT_CMPD_ID> (2,794)
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>  <CNC_ID> (2,794)
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>  <transfer_container_id> (2,794)
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>  <COMPOUND_NUMBER> (2,794)
WAY-630126

>  <LOCATION_CODE> (2,794)
PTNCS

>  <AMOUNT_CURRENT> (2,794)
32.4

$$$$
WAY-630254
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,795)
2798

>  <Formula> (2,795)
C16H19N3OS

>  <MolWeight> (2,795)
301.40656

>  <PCAT_CMPD_ID> (2,795)
WAY-630254

>  <CNC_ID> (2,795)
359351403

>  <transfer_container_id> (2,795)
PTN000000068

>  <COMPOUND_NUMBER> (2,795)
WAY-630254

>  <LOCATION_CODE> (2,795)
PTNCS

>  <AMOUNT_CURRENT> (2,795)
32.8

$$$$
WAY-648863
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,796)
2799

>  <Formula> (2,796)
C22H17NO2

>  <MolWeight> (2,796)
327.37588

>  <PCAT_CMPD_ID> (2,796)
WAY-648863

>  <CNC_ID> (2,796)
359353240

>  <transfer_container_id> (2,796)
PTN000000068

>  <COMPOUND_NUMBER> (2,796)
WAY-648863

>  <LOCATION_CODE> (2,796)
PTNCS

>  <AMOUNT_CURRENT> (2,796)
32.5

$$$$
WAY-649116
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,797)
2800

>  <Formula> (2,797)
C20H22N2O2S

>  <MolWeight> (2,797)
354.46588

>  <PCAT_CMPD_ID> (2,797)
WAY-649116

>  <CNC_ID> (2,797)
359353492

>  <transfer_container_id> (2,797)
PTN000000068

>  <COMPOUND_NUMBER> (2,797)
WAY-649116

>  <LOCATION_CODE> (2,797)
PTNCS

>  <AMOUNT_CURRENT> (2,797)
32.4

$$$$
WAY-649288
csChFnd80/10101909502D

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>  <Mol_ID> (2,798)
2801

>  <Formula> (2,798)
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>  <MolWeight> (2,798)
219.23652

>  <PCAT_CMPD_ID> (2,798)
WAY-649288

>  <CNC_ID> (2,798)
359353664

>  <transfer_container_id> (2,798)
PTN000000068

>  <COMPOUND_NUMBER> (2,798)
WAY-649288

>  <LOCATION_CODE> (2,798)
PTNCS

>  <AMOUNT_CURRENT> (2,798)
32.7

$$$$
WAY-631783
csChFnd80/10101909502D

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  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
  5  3  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,799)
2802

>  <Formula> (2,799)
C10H14N2O3

>  <MolWeight> (2,799)
210.22976

>  <PCAT_CMPD_ID> (2,799)
WAY-631783

>  <CNC_ID> (2,799)
359364303

>  <transfer_container_id> (2,799)
PTN000000069

>  <COMPOUND_NUMBER> (2,799)
WAY-631783

>  <LOCATION_CODE> (2,799)
PTNCS

>  <AMOUNT_CURRENT> (2,799)
32.8

$$$$
WAY-615642
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 17  5  2  0  0  0  0
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 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,800)
2803

>  <Formula> (2,800)
C19H13FN2O3

>  <MolWeight> (2,800)
336.3165232

>  <PCAT_CMPD_ID> (2,800)
WAY-615642

>  <CNC_ID> (2,800)
359376364

>  <transfer_container_id> (2,800)
PTN000000070

>  <COMPOUND_NUMBER> (2,800)
WAY-615642

>  <LOCATION_CODE> (2,800)
PTNCS

>  <AMOUNT_CURRENT> (2,800)
32.6

$$$$
WAY-615701
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,801)
2804

>  <Formula> (2,801)
C9H12N2O2S

>  <MolWeight> (2,801)
212.26878

>  <PCAT_CMPD_ID> (2,801)
WAY-615701

>  <CNC_ID> (2,801)
359376423

>  <transfer_container_id> (2,801)
PTN000000070

>  <COMPOUND_NUMBER> (2,801)
WAY-615701

>  <LOCATION_CODE> (2,801)
PTNCS

>  <AMOUNT_CURRENT> (2,801)
32.1

$$$$
WAY-652069
csChFnd80/10101909502D

 10 10  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,802)
2805

>  <Formula> (2,802)
C5H7NO3S

>  <MolWeight> (2,802)
161.17898

>  <PCAT_CMPD_ID> (2,802)
WAY-652069

>  <CNC_ID> (2,802)
359378950

>  <transfer_container_id> (2,802)
PTN000000070

>  <COMPOUND_NUMBER> (2,802)
WAY-652069

>  <LOCATION_CODE> (2,802)
PTNCS

>  <AMOUNT_CURRENT> (2,802)
32.7

$$$$
WAY-652728
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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M  END
>  <Mol_ID> (2,803)
2806

>  <Formula> (2,803)
C24H22N2O5S

>  <MolWeight> (2,803)
450.50688

>  <PCAT_CMPD_ID> (2,803)
WAY-652728

>  <CNC_ID> (2,803)
359379609

>  <transfer_container_id> (2,803)
PTN000000070

>  <COMPOUND_NUMBER> (2,803)
WAY-652728

>  <LOCATION_CODE> (2,803)
PTNCS

>  <AMOUNT_CURRENT> (2,803)
32.3

$$$$
WAY-652808
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,804)
2807

>  <Formula> (2,804)
C12H13NO2

>  <MolWeight> (2,804)
203.23712

>  <PCAT_CMPD_ID> (2,804)
WAY-652808

>  <CNC_ID> (2,804)
359379688

>  <transfer_container_id> (2,804)
PTN000000070

>  <COMPOUND_NUMBER> (2,804)
WAY-652808

>  <LOCATION_CODE> (2,804)
PTNCS

>  <AMOUNT_CURRENT> (2,804)
33

$$$$
WAY-653463
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  5  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
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  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  1  0  0  0  0
 19 12  2  0  0  0  0
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 24 17  1  0  0  0  0
  8  6  2  0  0  0  0
 20 14  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,805)
2808

>  <Formula> (2,805)
C20H20N2OS

>  <MolWeight> (2,805)
336.4506

>  <PCAT_CMPD_ID> (2,805)
WAY-653463

>  <CNC_ID> (2,805)
359380343

>  <transfer_container_id> (2,805)
PTN000000070

>  <COMPOUND_NUMBER> (2,805)
WAY-653463

>  <LOCATION_CODE> (2,805)
PTNCS

>  <AMOUNT_CURRENT> (2,805)
32.9

$$$$
WAY-602846
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  1  0  0  0  0
 14  5  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  2  0  0  0  0
 21 18  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
  3  4  1  0  0  0  0
 11 10  2  0  0  0  0
 19 20  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,806)
2809

>  <Formula> (2,806)
C17H14N4OS

>  <MolWeight> (2,806)
322.38426

>  <PCAT_CMPD_ID> (2,806)
WAY-602846

>  <CNC_ID> (2,806)
359388795

>  <transfer_container_id> (2,806)
PTN000000071

>  <COMPOUND_NUMBER> (2,806)
WAY-602846

>  <LOCATION_CODE> (2,806)
PTNCS

>  <AMOUNT_CURRENT> (2,806)
32

$$$$
WAY-344337
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  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  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  1  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  3  1  0  0  0  0
 18 10  1  0  0  0  0
 19  8  1  0  0  0  0
 20  9  1  0  0  0  0
 21 12  1  0  0  0  0
 22 12  2  0  0  0  0
 23 18  1  0  0  0  0
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 25 24  1  0  0  0  0
 26 21  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
  2  4  1  0  0  0  0
 20 25  2  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,807)
2810

>  <Formula> (2,807)
C20H17F3N2O2S

>  <MolWeight> (2,807)
406.4213896

>  <PCAT_CMPD_ID> (2,807)
WAY-344337

>  <CNC_ID> (2,807)
359319672

>  <transfer_container_id> (2,807)
PTN000000065

>  <COMPOUND_NUMBER> (2,807)
WAY-344337

>  <LOCATION_CODE> (2,807)
PTNCS

>  <AMOUNT_CURRENT> (2,807)
32.5

$$$$
WAY-313296
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  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
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
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 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
  7 12  1  0  0  0  0
  9 11  1  0  0  0  0
 14 18  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,808)
2811

>  <Formula> (2,808)
C19H14INO

>  <MolWeight> (2,808)
399.22503

>  <PCAT_CMPD_ID> (2,808)
WAY-313296

>  <CNC_ID> (2,808)
359328332

>  <transfer_container_id> (2,808)
PTN000000067

>  <COMPOUND_NUMBER> (2,808)
WAY-313296

>  <LOCATION_CODE> (2,808)
PTNCS

>  <AMOUNT_CURRENT> (2,808)
33.6

$$$$
WAY-311531
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
  8 12  1  0  0  0  0
 14 15  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,809)
2812

>  <Formula> (2,809)
C18H20O2S2

>  <MolWeight> (2,809)
332.4802

>  <PCAT_CMPD_ID> (2,809)
WAY-311531

>  <CNC_ID> (2,809)
359315272

>  <transfer_container_id> (2,809)
PTN000000065

>  <COMPOUND_NUMBER> (2,809)
WAY-311531

>  <LOCATION_CODE> (2,809)
PTNCS

>  <AMOUNT_CURRENT> (2,809)
33.3

$$$$
WAY-346104
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,810)
2813

>  <Formula> (2,810)
C17H16N2O3S

>  <MolWeight> (2,810)
328.38554

>  <PCAT_CMPD_ID> (2,810)
WAY-346104

>  <CNC_ID> (2,810)
359320901

>  <transfer_container_id> (2,810)
PTN000000065

>  <COMPOUND_NUMBER> (2,810)
WAY-346104

>  <LOCATION_CODE> (2,810)
PTNCS

>  <AMOUNT_CURRENT> (2,810)
25.67

$$$$
WAY-311482
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  3  1  0  0  0  0
 14  8  1  0  0  0  0
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 10  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,811)
2814

>  <Formula> (2,811)
C15H23NO3S

>  <MolWeight> (2,811)
297.41302

>  <PCAT_CMPD_ID> (2,811)
WAY-311482

>  <CNC_ID> (2,811)
359315223

>  <transfer_container_id> (2,811)
PTN000000065

>  <COMPOUND_NUMBER> (2,811)
WAY-311482

>  <LOCATION_CODE> (2,811)
PTNCS

>  <AMOUNT_CURRENT> (2,811)
33.3

$$$$
CL-391266
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
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 11 14  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,812)
2815

>  <Formula> (2,812)
C13H16N2O5

>  <MolWeight> (2,812)
280.27654

>  <PCAT_CMPD_ID> (2,812)
CL-391266

>  <CNC_ID> (2,812)
359313577

>  <transfer_container_id> (2,812)
PTN000000065

>  <COMPOUND_NUMBER> (2,812)
CL-391266

>  <LOCATION_CODE> (2,812)
PTNCS

>  <AMOUNT_CURRENT> (2,812)
33.6

$$$$
WAY-345606
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (2,813)
2816

>  <Formula> (2,813)
C19H14N2OS2

>  <MolWeight> (2,813)
350.45726

>  <PCAT_CMPD_ID> (2,813)
WAY-345606

>  <CNC_ID> (2,813)
359320863

>  <transfer_container_id> (2,813)
PTN000000065

>  <COMPOUND_NUMBER> (2,813)
WAY-345606

>  <LOCATION_CODE> (2,813)
PTNCS

>  <AMOUNT_CURRENT> (2,813)
29.4

$$$$
CL-356162
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 12 15  2  0  0  0  0
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 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,814)
2817

>  <Formula> (2,814)
C16H15NOS

>  <MolWeight> (2,814)
269.3614

>  <PCAT_CMPD_ID> (2,814)
CL-356162

>  <CNC_ID> (2,814)
359313576

>  <transfer_container_id> (2,814)
PTN000000065

>  <COMPOUND_NUMBER> (2,814)
CL-356162

>  <LOCATION_CODE> (2,814)
PTNCS

>  <AMOUNT_CURRENT> (2,814)
28.3

$$$$
WAY-311891
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,815)
2818

>  <Formula> (2,815)
C16H21N3O2S

>  <MolWeight> (2,815)
319.42184

>  <PCAT_CMPD_ID> (2,815)
WAY-311891

>  <CNC_ID> (2,815)
359315632

>  <transfer_container_id> (2,815)
PTN000000065

>  <COMPOUND_NUMBER> (2,815)
WAY-311891

>  <LOCATION_CODE> (2,815)
PTNCS

>  <AMOUNT_CURRENT> (2,815)
33.2

$$$$
WAY-114806
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 23 24  2  0  0  0  0
 29 30  2  0  0  0  0
M  END
>  <Mol_ID> (2,816)
2819

>  <Formula> (2,816)
C25H25N3O2

>  <MolWeight> (2,816)
399.4849

>  <PCAT_CMPD_ID> (2,816)
WAY-114806

>  <CNC_ID> (2,816)
359313701

>  <transfer_container_id> (2,816)
PTN000000065

>  <COMPOUND_NUMBER> (2,816)
WAY-114806

>  <LOCATION_CODE> (2,816)
PTNCS

>  <AMOUNT_CURRENT> (2,816)
33.1

$$$$
WAY-344146
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  1  0  0  0  0
 13  4  2  0  0  0  0
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 17  6  1  0  0  0  0
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 19 12  2  0  0  0  0
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M  END
>  <Mol_ID> (2,817)
2820

>  <Formula> (2,817)
C17H18N2O4

>  <MolWeight> (2,817)
314.33582

>  <PCAT_CMPD_ID> (2,817)
WAY-344146

>  <CNC_ID> (2,817)
359319482

>  <transfer_container_id> (2,817)
PTN000000065

>  <COMPOUND_NUMBER> (2,817)
WAY-344146

>  <LOCATION_CODE> (2,817)
PTNCS

>  <AMOUNT_CURRENT> (2,817)
29

$$$$
WAY-345099
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 15  8  2  0  0  0  0
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 22  5  2  0  0  0  0
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M  END
>  <Mol_ID> (2,818)
2821

>  <Formula> (2,818)
C26H23N3O4

>  <MolWeight> (2,818)
441.47852

>  <PCAT_CMPD_ID> (2,818)
WAY-345099

>  <CNC_ID> (2,818)
359320407

>  <transfer_container_id> (2,818)
PTN000000065

>  <COMPOUND_NUMBER> (2,818)
WAY-345099

>  <LOCATION_CODE> (2,818)
PTNCS

>  <AMOUNT_CURRENT> (2,818)
32.7

$$$$
WAY-344862
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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 13  2  2  0  0  0  0
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 15  7  2  0  0  0  0
 16  1  1  0  0  0  0
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 18  5  1  0  0  0  0
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 10  4  2  0  0  0  0
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M  END
>  <Mol_ID> (2,819)
2822

>  <Formula> (2,819)
C17H16BrNO4

>  <MolWeight> (2,819)
378.21724

>  <PCAT_CMPD_ID> (2,819)
WAY-344862

>  <CNC_ID> (2,819)
359320173

>  <transfer_container_id> (2,819)
PTN000000065

>  <COMPOUND_NUMBER> (2,819)
WAY-344862

>  <LOCATION_CODE> (2,819)
PTNCS

>  <AMOUNT_CURRENT> (2,819)
32

$$$$
WAY-313100
csChFnd80/10101909502D

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 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,820)
2823

>  <Formula> (2,820)
C19H20N2O2S

>  <MolWeight> (2,820)
340.4393

>  <PCAT_CMPD_ID> (2,820)
WAY-313100

>  <CNC_ID> (2,820)
359328136

>  <transfer_container_id> (2,820)
PTN000000067

>  <COMPOUND_NUMBER> (2,820)
WAY-313100

>  <LOCATION_CODE> (2,820)
PTNCS

>  <AMOUNT_CURRENT> (2,820)
33.6

$$$$
WAY-332768
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  7  1  0  0  0  0
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 14  1  1  0  0  0  0
 15  2  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
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 18 13  1  0  0  0  0
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M  END
>  <Mol_ID> (2,821)
2824

>  <Formula> (2,821)
C13H22N2O3S2

>  <MolWeight> (2,821)
318.45538

>  <PCAT_CMPD_ID> (2,821)
WAY-332768

>  <CNC_ID> (2,821)
359331304

>  <transfer_container_id> (2,821)
PTN000000067

>  <COMPOUND_NUMBER> (2,821)
WAY-332768

>  <LOCATION_CODE> (2,821)
PTNCS

>  <AMOUNT_CURRENT> (2,821)
32.5

$$$$
WAY-625519
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 19  7  1  0  0  0  0
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 21 19  2  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (2,822)
2825

>  <Formula> (2,822)
C14H9BrFN3O2

>  <MolWeight> (2,822)
350.1425632

>  <PCAT_CMPD_ID> (2,822)
WAY-625519

>  <CNC_ID> (2,822)
359334328

>  <transfer_container_id> (2,822)
PTN000000067

>  <COMPOUND_NUMBER> (2,822)
WAY-625519

>  <LOCATION_CODE> (2,822)
PTNCS

>  <AMOUNT_CURRENT> (2,822)
32.4

$$$$
WAY-625922
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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 25  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,823)
2826

>  <Formula> (2,823)
C21H22ClN3O4S

>  <MolWeight> (2,823)
447.93508

>  <PCAT_CMPD_ID> (2,823)
WAY-625922

>  <CNC_ID> (2,823)
359334731

>  <transfer_container_id> (2,823)
PTN000000067

>  <COMPOUND_NUMBER> (2,823)
WAY-625922

>  <LOCATION_CODE> (2,823)
PTNCS

>  <AMOUNT_CURRENT> (2,823)
33

$$$$
WAY-644843
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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 13  3  2  0  0  0  0
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 18 12  1  0  0  0  0
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M  END
>  <Mol_ID> (2,824)
2827

>  <Formula> (2,824)
C13H22N4O

>  <MolWeight> (2,824)
250.33998

>  <PCAT_CMPD_ID> (2,824)
WAY-644843

>  <CNC_ID> (2,824)
359337515

>  <transfer_container_id> (2,824)
PTN000000067

>  <COMPOUND_NUMBER> (2,824)
WAY-644843

>  <LOCATION_CODE> (2,824)
PTNCS

>  <AMOUNT_CURRENT> (2,824)
32.5

$$$$
CL-409560
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,825)
2828

>  <Formula> (2,825)
C19H19N3O3

>  <MolWeight> (2,825)
337.37246

>  <PCAT_CMPD_ID> (2,825)
CL-409560

>  <CNC_ID> (2,825)
359339901

>  <transfer_container_id> (2,825)
PTN000000068

>  <COMPOUND_NUMBER> (2,825)
CL-409560

>  <LOCATION_CODE> (2,825)
PTNCS

>  <AMOUNT_CURRENT> (2,825)
32.3

$$$$
WAY-335661
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
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 18  7  2  0  0  0  0
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 22  3  1  0  0  0  0
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 25  8  1  0  0  0  0
 26  8  1  0  0  0  0
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 29 28  1  0  0  0  0
  6  9  1  0  0  0  0
  4  2  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,826)
2829

>  <Formula> (2,826)
C21H21ClN2O4S

>  <MolWeight> (2,826)
432.92044

>  <PCAT_CMPD_ID> (2,826)
WAY-335661

>  <CNC_ID> (2,826)
359344921

>  <transfer_container_id> (2,826)
PTN000000068

>  <COMPOUND_NUMBER> (2,826)
WAY-335661

>  <LOCATION_CODE> (2,826)
PTNCS

>  <AMOUNT_CURRENT> (2,826)
32.5

$$$$
WAY-335832
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  7  1  0  0  0  0
 13  3  2  0  0  0  0
 14  1  1  0  0  0  0
 15 14  1  0  0  0  0
 16 20  2  0  0  0  0
 17 12  1  0  0  0  0
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 23  7  1  0  0  0  0
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  8  2  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,827)
2830

>  <Formula> (2,827)
C21H20ClNO4S

>  <MolWeight> (2,827)
417.9058

>  <PCAT_CMPD_ID> (2,827)
WAY-335832

>  <CNC_ID> (2,827)
359345091

>  <transfer_container_id> (2,827)
PTN000000068

>  <COMPOUND_NUMBER> (2,827)
WAY-335832

>  <LOCATION_CODE> (2,827)
PTNCS

>  <AMOUNT_CURRENT> (2,827)
32.5

$$$$
WAY-337285
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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 10  2  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  1  0  0  0  0
 15  7  2  0  0  0  0
 16 15  1  0  0  0  0
 17 10  2  0  0  0  0
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 19  3  1  0  0  0  0
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 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
  8  5  1  0  0  0  0
 22 21  1  0  0  0  0
  2  4  1  0  0  0  0
M  END
>  <Mol_ID> (2,828)
2831

>  <Formula> (2,828)
C16H19NO5S

>  <MolWeight> (2,828)
337.39076

>  <PCAT_CMPD_ID> (2,828)
WAY-337285

>  <CNC_ID> (2,828)
359346537

>  <transfer_container_id> (2,828)
PTN000000068

>  <COMPOUND_NUMBER> (2,828)
WAY-337285

>  <LOCATION_CODE> (2,828)
PTNCS

>  <AMOUNT_CURRENT> (2,828)
32.5

$$$$
WAY-382672-A
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
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 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (2,829)
2832

>  <Formula> (2,829)
C11H14N2

>  <MolWeight> (2,829)
174.24226

>  <PCAT_CMPD_ID> (2,829)
WAY-382672-A

>  <CNC_ID> (2,829)
359347239

>  <transfer_container_id> (2,829)
PTN000000068

>  <COMPOUND_NUMBER> (2,829)
WAY-382672-A

>  <LOCATION_CODE> (2,829)
PTNCS

>  <AMOUNT_CURRENT> (2,829)
32.5

$$$$
WAY-611549
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,830)
2833

>  <Formula> (2,830)
C8H10N4O3S

>  <MolWeight> (2,830)
242.255

>  <PCAT_CMPD_ID> (2,830)
WAY-611549

>  <CNC_ID> (2,830)
359347450

>  <transfer_container_id> (2,830)
PTN000000068

>  <COMPOUND_NUMBER> (2,830)
WAY-611549

>  <LOCATION_CODE> (2,830)
PTNCS

>  <AMOUNT_CURRENT> (2,830)
32.2

$$$$
WAY-611860
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9 11  2  0  0  0  0
 10  7  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 13  2  0  0  0  0
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 20 16  2  0  0  0  0
  6  5  2  0  0  0  0
 19 18  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,831)
2834

>  <Formula> (2,831)
C15H14N4O

>  <MolWeight> (2,831)
266.29786

>  <PCAT_CMPD_ID> (2,831)
WAY-611860

>  <CNC_ID> (2,831)
359347762

>  <transfer_container_id> (2,831)
PTN000000068

>  <COMPOUND_NUMBER> (2,831)
WAY-611860

>  <LOCATION_CODE> (2,831)
PTNCS

>  <AMOUNT_CURRENT> (2,831)
33

$$$$
WAY-612022-A
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
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  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 16  1  0  0  0  0
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 18 20  1  0  0  0  0
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 22 23  1  0  0  0  0
 10 11  2  0  0  0  0
 13 17  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,832)
2835

>  <Formula> (2,832)
C19H18N2OS

>  <MolWeight> (2,832)
322.42402

>  <PCAT_CMPD_ID> (2,832)
WAY-612022-A

>  <CNC_ID> (2,832)
359347924

>  <transfer_container_id> (2,832)
PTN000000068

>  <COMPOUND_NUMBER> (2,832)
WAY-612022-A

>  <LOCATION_CODE> (2,832)
PTNCS

>  <AMOUNT_CURRENT> (2,832)
32.6

$$$$
WAY-628203
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
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 14 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,833)
2836

>  <Formula> (2,833)
C11H13N3

>  <MolWeight> (2,833)
187.24102

>  <PCAT_CMPD_ID> (2,833)
WAY-628203

>  <CNC_ID> (2,833)
359349353

>  <transfer_container_id> (2,833)
PTN000000068

>  <COMPOUND_NUMBER> (2,833)
WAY-628203

>  <LOCATION_CODE> (2,833)
PTNCS

>  <AMOUNT_CURRENT> (2,833)
32.3

$$$$
WAY-628583
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
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 13  2  1  0  0  0  0
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 17  4  1  0  0  0  0
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M  END
>  <Mol_ID> (2,834)
2837

>  <Formula> (2,834)
C18H21NO4

>  <MolWeight> (2,834)
315.36364

>  <PCAT_CMPD_ID> (2,834)
WAY-628583

>  <CNC_ID> (2,834)
359349734

>  <transfer_container_id> (2,834)
PTN000000068

>  <COMPOUND_NUMBER> (2,834)
WAY-628583

>  <LOCATION_CODE> (2,834)
PTNCS

>  <AMOUNT_CURRENT> (2,834)
32.7

$$$$
WAY-629522-A
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  2  1  0  0  0  0
 12  5  1  0  0  0  0
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 14 13  1  0  0  0  0
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  9 10  2  0  0  0  0
 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,835)
2838

>  <Formula> (2,835)
C11H12N2S

>  <MolWeight> (2,835)
204.29138

>  <PCAT_CMPD_ID> (2,835)
WAY-629522-A

>  <CNC_ID> (2,835)
359350672

>  <transfer_container_id> (2,835)
PTN000000068

>  <COMPOUND_NUMBER> (2,835)
WAY-629522-A

>  <LOCATION_CODE> (2,835)
PTNCS

>  <AMOUNT_CURRENT> (2,835)
32.4

$$$$
WAY-629527
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,836)
2839

>  <Formula> (2,836)
C18H15N3O5S2

>  <MolWeight> (2,836)
417.4588

>  <PCAT_CMPD_ID> (2,836)
WAY-629527

>  <CNC_ID> (2,836)
359350677

>  <transfer_container_id> (2,836)
PTN000000068

>  <COMPOUND_NUMBER> (2,836)
WAY-629527

>  <LOCATION_CODE> (2,836)
PTNCS

>  <AMOUNT_CURRENT> (2,836)
32.1

$$$$
WAY-630261
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,837)
2840

>  <Formula> (2,837)
C16H17F3N2O3S

>  <MolWeight> (2,837)
374.3779896

>  <PCAT_CMPD_ID> (2,837)
WAY-630261

>  <CNC_ID> (2,837)
359351410

>  <transfer_container_id> (2,837)
PTN000000068

>  <COMPOUND_NUMBER> (2,837)
WAY-630261

>  <LOCATION_CODE> (2,837)
PTNCS

>  <AMOUNT_CURRENT> (2,837)
32.3

$$$$
CL-8734
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,838)
2841

>  <Formula> (2,838)
C15H12N2O

>  <MolWeight> (2,838)
236.26858

>  <PCAT_CMPD_ID> (2,838)
CL-8734

>  <CNC_ID> (2,838)
359353828

>  <transfer_container_id> (2,838)
PTN000000069

>  <COMPOUND_NUMBER> (2,838)
CL-8734

>  <LOCATION_CODE> (2,838)
PTNCS

>  <AMOUNT_CURRENT> (2,838)
32.8

$$$$
WAY-275494
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,839)
2842

>  <Formula> (2,839)
C21H21N3O5S2

>  <MolWeight> (2,839)
459.53854

>  <PCAT_CMPD_ID> (2,839)
WAY-275494

>  <CNC_ID> (2,839)
359355633

>  <transfer_container_id> (2,839)
PTN000000069

>  <COMPOUND_NUMBER> (2,839)
WAY-275494

>  <LOCATION_CODE> (2,839)
PTNCS

>  <AMOUNT_CURRENT> (2,839)
28.2

$$$$
WAY-339450
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,840)
2843

>  <Formula> (2,840)
C19H16N6OS

>  <MolWeight> (2,840)
376.43494

>  <PCAT_CMPD_ID> (2,840)
WAY-339450

>  <CNC_ID> (2,840)
359360067

>  <transfer_container_id> (2,840)
PTN000000069

>  <COMPOUND_NUMBER> (2,840)
WAY-339450

>  <LOCATION_CODE> (2,840)
PTNCS

>  <AMOUNT_CURRENT> (2,840)
32.5

$$$$
WAY-613313
csChFnd80/10101909502D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,841)
2844

>  <Formula> (2,841)
C24H17N7O3

>  <MolWeight> (2,841)
451.43688

>  <PCAT_CMPD_ID> (2,841)
WAY-613313

>  <CNC_ID> (2,841)
359361336

>  <transfer_container_id> (2,841)
PTN000000069

>  <COMPOUND_NUMBER> (2,841)
WAY-613313

>  <LOCATION_CODE> (2,841)
PTNCS

>  <AMOUNT_CURRENT> (2,841)
32

$$$$
WAY-614484
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,842)
2845

>  <Formula> (2,842)
C11H7N3OS2

>  <MolWeight> (2,842)
261.32278

>  <PCAT_CMPD_ID> (2,842)
WAY-614484

>  <CNC_ID> (2,842)
359362507

>  <transfer_container_id> (2,842)
PTN000000069

>  <COMPOUND_NUMBER> (2,842)
WAY-614484

>  <LOCATION_CODE> (2,842)
PTNCS

>  <AMOUNT_CURRENT> (2,842)
32.6

$$$$
WAY-630687
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,843)
2846

>  <Formula> (2,843)
C15H22N4O2S

>  <MolWeight> (2,843)
322.42578

>  <PCAT_CMPD_ID> (2,843)
WAY-630687

>  <CNC_ID> (2,843)
359363206

>  <transfer_container_id> (2,843)
PTN000000069

>  <COMPOUND_NUMBER> (2,843)
WAY-630687

>  <LOCATION_CODE> (2,843)
PTNCS

>  <AMOUNT_CURRENT> (2,843)
32.7

$$$$
WAY-630808
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,844)
2847

>  <Formula> (2,844)
C21H23N5O4S

>  <MolWeight> (2,844)
441.50342

>  <PCAT_CMPD_ID> (2,844)
WAY-630808

>  <CNC_ID> (2,844)
359363327

>  <transfer_container_id> (2,844)
PTN000000069

>  <COMPOUND_NUMBER> (2,844)
WAY-630808

>  <LOCATION_CODE> (2,844)
PTNCS

>  <AMOUNT_CURRENT> (2,844)
32.3

$$$$
WAY-631170
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (2,845)
2848

>  <Formula> (2,845)
C15H13NO5

>  <MolWeight> (2,845)
287.26742

>  <PCAT_CMPD_ID> (2,845)
WAY-631170

>  <CNC_ID> (2,845)
359363690

>  <transfer_container_id> (2,845)
PTN000000069

>  <COMPOUND_NUMBER> (2,845)
WAY-631170

>  <LOCATION_CODE> (2,845)
PTNCS

>  <AMOUNT_CURRENT> (2,845)
32.7

$$$$
WAY-632206-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,846)
2849

>  <Formula> (2,846)
C17H27N3O

>  <MolWeight> (2,846)
289.41578

>  <PCAT_CMPD_ID> (2,846)
WAY-632206

>  <CNC_ID> (2,846)
359364726

>  <transfer_container_id> (2,846)
PTN000000069

>  <COMPOUND_NUMBER> (2,846)
WAY-632206

>  <LOCATION_CODE> (2,846)
PTNCS

>  <AMOUNT_CURRENT> (2,846)
32.5

$$$$
WAY-649494
csChFnd80/10101909502D

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 10 20  1  0  0  0  0
 11  8  1  0  0  0  0
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 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
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 16 10  1  0  0  0  0
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 18 10  2  0  0  0  0
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 21  9  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
  5  4  1  0  0  0  0
 19  9  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
>  <Mol_ID> (2,847)
2850

>  <Formula> (2,847)
C15H13BrN4O2S

>  <MolWeight> (2,847)
393.25832

>  <PCAT_CMPD_ID> (2,847)
WAY-649494

>  <CNC_ID> (2,847)
359365201

>  <transfer_container_id> (2,847)
PTN000000069

>  <COMPOUND_NUMBER> (2,847)
WAY-649494

>  <LOCATION_CODE> (2,847)
PTNCS

>  <AMOUNT_CURRENT> (2,847)
32.4

$$$$
WAY-649737
csChFnd80/10101909502D

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 10 13  1  0  0  0  0
 11 10  1  0  0  0  0
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 13  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15 10  2  0  0  0  0
 16 14  1  0  0  0  0
 17  7  1  0  0  0  0
 18  9  1  0  0  0  0
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  9  4  1  0  0  0  0
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 25 18  2  0  0  0  0
 28 20  2  0  0  0  0
M  END
>  <Mol_ID> (2,848)
2851

>  <Formula> (2,848)
C21H23N5OS

>  <MolWeight> (2,848)
393.50522

>  <PCAT_CMPD_ID> (2,848)
WAY-649737

>  <CNC_ID> (2,848)
359365444

>  <transfer_container_id> (2,848)
PTN000000069

>  <COMPOUND_NUMBER> (2,848)
WAY-649737

>  <LOCATION_CODE> (2,848)
PTNCS

>  <AMOUNT_CURRENT> (2,848)
32

$$$$
WAY-651441-A
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 12  9  1  0  0  0  0
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 17 13  2  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,849)
2852

>  <Formula> (2,849)
C13H17N3S

>  <MolWeight> (2,849)
247.35918

>  <PCAT_CMPD_ID> (2,849)
WAY-651441

>  <CNC_ID> (2,849)
359367148

>  <transfer_container_id> (2,849)
PTN000000069

>  <COMPOUND_NUMBER> (2,849)
WAY-651441

>  <LOCATION_CODE> (2,849)
PTNCS

>  <AMOUNT_CURRENT> (2,849)
32.6

$$$$
CL-380100
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,850)
2853

>  <Formula> (2,850)
C24H24N2O2

>  <MolWeight> (2,850)
372.45956

>  <PCAT_CMPD_ID> (2,850)
CL-380100

>  <CNC_ID> (2,850)
359367402

>  <transfer_container_id> (2,850)
PTN000000070

>  <COMPOUND_NUMBER> (2,850)
CL-380100

>  <LOCATION_CODE> (2,850)
PTNCS

>  <AMOUNT_CURRENT> (2,850)
33

$$$$
WAY-270442
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,851)
2854

>  <Formula> (2,851)
C12H13BrN2OS

>  <MolWeight> (2,851)
313.21342

>  <PCAT_CMPD_ID> (2,851)
WAY-270442

>  <CNC_ID> (2,851)
359369272

>  <transfer_container_id> (2,851)
PTN000000070

>  <COMPOUND_NUMBER> (2,851)
WAY-270442

>  <LOCATION_CODE> (2,851)
PTNCS

>  <AMOUNT_CURRENT> (2,851)
29.4

$$$$
WAY-600802
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,852)
2855

>  <Formula> (2,852)
C18H25NO2

>  <MolWeight> (2,852)
287.3966

>  <PCAT_CMPD_ID> (2,852)
WAY-600802

>  <CNC_ID> (2,852)
359374521

>  <transfer_container_id> (2,852)
PTN000000070

>  <COMPOUND_NUMBER> (2,852)
WAY-600802

>  <LOCATION_CODE> (2,852)
PTNCS

>  <AMOUNT_CURRENT> (2,852)
32.5

$$$$
WAY-601739
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,853)
2856

>  <Formula> (2,853)
C16H16N2OS

>  <MolWeight> (2,853)
284.37604

>  <PCAT_CMPD_ID> (2,853)
WAY-601739

>  <CNC_ID> (2,853)
359375467

>  <transfer_container_id> (2,853)
PTN000000070

>  <COMPOUND_NUMBER> (2,853)
WAY-601739

>  <LOCATION_CODE> (2,853)
PTNCS

>  <AMOUNT_CURRENT> (2,853)
32.2

$$$$
WAY-615457
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,854)
2857

>  <Formula> (2,854)
C19H27NO

>  <MolWeight> (2,854)
285.42378

>  <PCAT_CMPD_ID> (2,854)
WAY-615457

>  <CNC_ID> (2,854)
359376179

>  <transfer_container_id> (2,854)
PTN000000070

>  <COMPOUND_NUMBER> (2,854)
WAY-615457

>  <LOCATION_CODE> (2,854)
PTNCS

>  <AMOUNT_CURRENT> (2,854)
32.9

$$$$
WAY-632668
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,855)
2858

>  <Formula> (2,855)
C14H18N4O2S

>  <MolWeight> (2,855)
306.38332

>  <PCAT_CMPD_ID> (2,855)
WAY-632668

>  <CNC_ID> (2,855)
359376784

>  <transfer_container_id> (2,855)
PTN000000070

>  <COMPOUND_NUMBER> (2,855)
WAY-632668

>  <LOCATION_CODE> (2,855)
PTNCS

>  <AMOUNT_CURRENT> (2,855)
32.8

$$$$
GI-570866
csChFnd80/10101909502D

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 11 15  1  0  0  0  0
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 10 12  2  0  0  0  0
 20 23  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,856)
2859

>  <Formula> (2,856)
C17H18N2O4S3

>  <MolWeight> (2,856)
410.53082

>  <PCAT_CMPD_ID> (2,856)
GI-570866

>  <CNC_ID> (2,856)
359380629

>  <transfer_container_id> (2,856)
PTN000000071

>  <COMPOUND_NUMBER> (2,856)
GI-570866

>  <LOCATION_CODE> (2,856)
PTNCS

>  <AMOUNT_CURRENT> (2,856)
32.5

$$$$
WAY-272209
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 14  4  2  0  0  0  0
 15  8  1  0  0  0  0
 16 11  2  0  0  0  0
 17  3  1  0  0  0  0
 18 17  2  0  0  0  0
 19  7  1  0  0  0  0
 20  9  1  0  0  0  0
 21  8  1  0  0  0  0
 22 18  1  0  0  0  0
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 25 24  1  0  0  0  0
 14 16  1  0  0  0  0
 15 22  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (2,857)
2860

>  <Formula> (2,857)
C20H19N3O2

>  <MolWeight> (2,857)
333.38376

>  <PCAT_CMPD_ID> (2,857)
WAY-272209

>  <CNC_ID> (2,857)
359381732

>  <transfer_container_id> (2,857)
PTN000000071

>  <COMPOUND_NUMBER> (2,857)
WAY-272209

>  <LOCATION_CODE> (2,857)
PTNCS

>  <AMOUNT_CURRENT> (2,857)
32.5

$$$$
WAY-320409
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  8  2  0  0  0  0
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 14 10  2  0  0  0  0
 15  9  1  0  0  0  0
 16 12  2  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
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 20 14  1  0  0  0  0
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 22 15  2  0  0  0  0
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  4  7  2  0  0  0  0
 13 19  1  0  0  0  0
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M  END
>  <Mol_ID> (2,858)
2861

>  <Formula> (2,858)
C22H24N2O

>  <MolWeight> (2,858)
332.43876

>  <PCAT_CMPD_ID> (2,858)
WAY-320409

>  <CNC_ID> (2,858)
359384734

>  <transfer_container_id> (2,858)
PTN000000071

>  <COMPOUND_NUMBER> (2,858)
WAY-320409

>  <LOCATION_CODE> (2,858)
PTNCS

>  <AMOUNT_CURRENT> (2,858)
32.5

$$$$
WAY-320410
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
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 16  9  1  0  0  0  0
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 10 13  1  0  0  0  0
 25 14  1  0  0  0  0
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M  END
>  <Mol_ID> (2,859)
2862

>  <Formula> (2,859)
C16H23N7O2

>  <MolWeight> (2,859)
345.39952

>  <PCAT_CMPD_ID> (2,859)
WAY-320410

>  <CNC_ID> (2,859)
359384735

>  <transfer_container_id> (2,859)
PTN000000071

>  <COMPOUND_NUMBER> (2,859)
WAY-320410

>  <LOCATION_CODE> (2,859)
PTNCS

>  <AMOUNT_CURRENT> (2,859)
32.5

$$$$
WAY-320101
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,860)
2863

>  <Formula> (2,860)
C20H14ClNO4

>  <MolWeight> (2,860)
367.78246

>  <PCAT_CMPD_ID> (2,860)
WAY-320101

>  <CNC_ID> (2,860)
359384420

>  <transfer_container_id> (2,860)
PTN000000071

>  <COMPOUND_NUMBER> (2,860)
WAY-320101

>  <LOCATION_CODE> (2,860)
PTNCS

>  <AMOUNT_CURRENT> (2,860)
32.5

$$$$
WAY-603313
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,861)
2864

>  <Formula> (2,861)
C18H14O3S2

>  <MolWeight> (2,861)
342.43196

>  <PCAT_CMPD_ID> (2,861)
WAY-603313

>  <CNC_ID> (2,861)
359389261

>  <transfer_container_id> (2,861)
PTN000000071

>  <COMPOUND_NUMBER> (2,861)
WAY-603313

>  <LOCATION_CODE> (2,861)
PTNCS

>  <AMOUNT_CURRENT> (2,861)
32.7

$$$$
WAY-635005
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,862)
2865

>  <Formula> (2,862)
C16H11BrClNO2

>  <MolWeight> (2,862)
364.62104

>  <PCAT_CMPD_ID> (2,862)
WAY-635005

>  <CNC_ID> (2,862)
359390106

>  <transfer_container_id> (2,862)
PTN000000071

>  <COMPOUND_NUMBER> (2,862)
WAY-635005

>  <LOCATION_CODE> (2,862)
PTNCS

>  <AMOUNT_CURRENT> (2,862)
33

$$$$
WAY-635769
csChFnd80/10101909502D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,863)
2866

>  <Formula> (2,863)
C9H17N3O

>  <MolWeight> (2,863)
183.25078

>  <PCAT_CMPD_ID> (2,863)
WAY-635769

>  <CNC_ID> (2,863)
359390869

>  <transfer_container_id> (2,863)
PTN000000071

>  <COMPOUND_NUMBER> (2,863)
WAY-635769

>  <LOCATION_CODE> (2,863)
PTNCS

>  <AMOUNT_CURRENT> (2,863)
32.2

$$$$
WAY-655416
csChFnd80/10101909502D

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 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (2,864)
2867

>  <Formula> (2,864)
C19H21ClN2O2

>  <MolWeight> (2,864)
344.83524

>  <PCAT_CMPD_ID> (2,864)
WAY-655416

>  <CNC_ID> (2,864)
359393656

>  <transfer_container_id> (2,864)
PTN000000071

>  <COMPOUND_NUMBER> (2,864)
WAY-655416

>  <LOCATION_CODE> (2,864)
PTNCS

>  <AMOUNT_CURRENT> (2,864)
33

$$$$
WL-305522
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,865)
2868

>  <Formula> (2,865)
C15H15N5

>  <MolWeight> (2,865)
265.3131

>  <PCAT_CMPD_ID> (2,865)
WL-305522

>  <CNC_ID> (2,865)
359394029

>  <transfer_container_id> (2,865)
PTN000000071

>  <COMPOUND_NUMBER> (2,865)
WL-305522

>  <LOCATION_CODE> (2,865)
PTNCS

>  <AMOUNT_CURRENT> (2,865)
32.5

$$$$
CL-213611
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,866)
2869

>  <Formula> (2,866)
C14H10N2O

>  <MolWeight> (2,866)
222.242

>  <PCAT_CMPD_ID> (2,866)
CL-213611

>  <CNC_ID> (2,866)
359394047

>  <transfer_container_id> (2,866)
PTN000000072

>  <COMPOUND_NUMBER> (2,866)
CL-213611

>  <LOCATION_CODE> (2,866)
PTNCS

>  <AMOUNT_CURRENT> (2,866)
32

$$$$
CL-360466
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,867)
2870

>  <Formula> (2,867)
C11H11N5O

>  <MolWeight> (2,867)
229.23794

>  <PCAT_CMPD_ID> (2,867)
CL-360466

>  <CNC_ID> (2,867)
359394073

>  <transfer_container_id> (2,867)
PTN000000072

>  <COMPOUND_NUMBER> (2,867)
CL-360466

>  <LOCATION_CODE> (2,867)
PTNCS

>  <AMOUNT_CURRENT> (2,867)
32.5

$$$$
WAY-321102-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,868)
2871

>  <Formula> (2,868)
C16H17N3O2S

>  <MolWeight> (2,868)
315.39008

>  <PCAT_CMPD_ID> (2,868)
WAY-321102-A

>  <CNC_ID> (2,868)
359397231

>  <transfer_container_id> (2,868)
PTN000000072

>  <COMPOUND_NUMBER> (2,868)
WAY-321102-A

>  <LOCATION_CODE> (2,868)
PTNCS

>  <AMOUNT_CURRENT> (2,868)
32.5

$$$$
WAY-320750
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 13  7  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (2,869)
2872

>  <Formula> (2,869)
C13H15N3

>  <MolWeight> (2,869)
213.2783

>  <PCAT_CMPD_ID> (2,869)
WAY-320750

>  <CNC_ID> (2,869)
359396884

>  <transfer_container_id> (2,869)
PTN000000072

>  <COMPOUND_NUMBER> (2,869)
WAY-320750

>  <LOCATION_CODE> (2,869)
PTNCS

>  <AMOUNT_CURRENT> (2,869)
32.5

$$$$
WAY-321369
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,870)
2873

>  <Formula> (2,870)
C21H17BrN2O4

>  <MolWeight> (2,870)
441.27468

>  <PCAT_CMPD_ID> (2,870)
WAY-321369

>  <CNC_ID> (2,870)
359397493

>  <transfer_container_id> (2,870)
PTN000000072

>  <COMPOUND_NUMBER> (2,870)
WAY-321369

>  <LOCATION_CODE> (2,870)
PTNCS

>  <AMOUNT_CURRENT> (2,870)
32.5

$$$$
WAY-322040
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 11  9  2  0  0  0  0
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 12 10  2  0  0  0  0
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M  END
>  <Mol_ID> (2,871)
2874

>  <Formula> (2,871)
C17H16N4OS2

>  <MolWeight> (2,871)
356.46514

>  <PCAT_CMPD_ID> (2,871)
WAY-322040

>  <CNC_ID> (2,871)
359398145

>  <transfer_container_id> (2,871)
PTN000000072

>  <COMPOUND_NUMBER> (2,871)
WAY-322040

>  <LOCATION_CODE> (2,871)
PTNCS

>  <AMOUNT_CURRENT> (2,871)
32.5

$$$$
WAY-322057
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,872)
2875

>  <Formula> (2,872)
C11H21NO

>  <MolWeight> (2,872)
183.29054

>  <PCAT_CMPD_ID> (2,872)
WAY-322057

>  <CNC_ID> (2,872)
359398161

>  <transfer_container_id> (2,872)
PTN000000072

>  <COMPOUND_NUMBER> (2,872)
WAY-322057

>  <LOCATION_CODE> (2,872)
PTNCS

>  <AMOUNT_CURRENT> (2,872)
32.5

$$$$
WAY-322254
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,873)
2876

>  <Formula> (2,873)
C18H14N4O2S

>  <MolWeight> (2,873)
350.39436

>  <PCAT_CMPD_ID> (2,873)
WAY-322254

>  <CNC_ID> (2,873)
359398356

>  <transfer_container_id> (2,873)
PTN000000072

>  <COMPOUND_NUMBER> (2,873)
WAY-322254

>  <LOCATION_CODE> (2,873)
PTNCS

>  <AMOUNT_CURRENT> (2,873)
32.5

$$$$
WAY-322510
csChFnd80/10101909502D

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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (2,874)
2877

>  <Formula> (2,874)
C25H22N4O2

>  <MolWeight> (2,874)
410.46778

>  <PCAT_CMPD_ID> (2,874)
WAY-322510

>  <CNC_ID> (2,874)
359398588

>  <transfer_container_id> (2,874)
PTN000000072

>  <COMPOUND_NUMBER> (2,874)
WAY-322510

>  <LOCATION_CODE> (2,874)
PTNCS

>  <AMOUNT_CURRENT> (2,874)
32.5

$$$$
WAY-322567
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
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M  END
>  <Mol_ID> (2,875)
2878

>  <Formula> (2,875)
C16H16N2O3S

>  <MolWeight> (2,875)
316.37484

>  <PCAT_CMPD_ID> (2,875)
WAY-322567

>  <CNC_ID> (2,875)
359398645

>  <transfer_container_id> (2,875)
PTN000000072

>  <COMPOUND_NUMBER> (2,875)
WAY-322567

>  <LOCATION_CODE> (2,875)
PTNCS

>  <AMOUNT_CURRENT> (2,875)
32.5

$$$$
WAY-322682
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 12  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,876)
2879

>  <Formula> (2,876)
C14H10O3

>  <MolWeight> (2,876)
226.2274

>  <PCAT_CMPD_ID> (2,876)
WAY-322682

>  <CNC_ID> (2,876)
359398759

>  <transfer_container_id> (2,876)
PTN000000072

>  <COMPOUND_NUMBER> (2,876)
WAY-322682

>  <LOCATION_CODE> (2,876)
PTNCS

>  <AMOUNT_CURRENT> (2,876)
32.5

$$$$
WAY-322685
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 21 23  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,877)
2880

>  <Formula> (2,877)
C17H15N3O3S

>  <MolWeight> (2,877)
341.3843

>  <PCAT_CMPD_ID> (2,877)
WAY-322685

>  <CNC_ID> (2,877)
359398762

>  <transfer_container_id> (2,877)
PTN000000072

>  <COMPOUND_NUMBER> (2,877)
WAY-322685

>  <LOCATION_CODE> (2,877)
PTNCS

>  <AMOUNT_CURRENT> (2,877)
32.5

$$$$
WAY-604138-A
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 12  1  1  0  0  0  0
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 15  1  1  0  0  0  0
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 17  8  2  0  0  0  0
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 19  7  1  0  0  0  0
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 21 15  1  0  0  0  0
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 10 14  1  0  0  0  0
  9  3  2  0  0  0  0
 16  6  2  0  0  0  0
M  END
>  <Mol_ID> (2,878)
2881

>  <Formula> (2,878)
C17H21ClN4

>  <MolWeight> (2,878)
316.82844

>  <PCAT_CMPD_ID> (2,878)
WAY-604138-A

>  <CNC_ID> (2,878)
359401973

>  <transfer_container_id> (2,878)
PTN000000072

>  <COMPOUND_NUMBER> (2,878)
WAY-604138-A

>  <LOCATION_CODE> (2,878)
PTNCS

>  <AMOUNT_CURRENT> (2,878)
32.9

$$$$
WAY-657706
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  1  0  0  0  0
 14 15  1  0  0  0  0
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 16  7  1  0  0  0  0
 17  6  1  0  0  0  0
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 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,879)
2882

>  <Formula> (2,879)
C23H23NO3

>  <MolWeight> (2,879)
361.43362

>  <PCAT_CMPD_ID> (2,879)
WAY-657706

>  <CNC_ID> (2,879)
359407419

>  <transfer_container_id> (2,879)
PTN000000072

>  <COMPOUND_NUMBER> (2,879)
WAY-657706

>  <LOCATION_CODE> (2,879)
PTNCS

>  <AMOUNT_CURRENT> (2,879)
32.5

$$$$
WAY-323458
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 13  4  1  0  0  0  0
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 15  1  2  0  0  0  0
 16  3  1  0  0  0  0
 17  6  2  0  0  0  0
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 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,880)
2883

>  <Formula> (2,880)
C23H29N3O2

>  <MolWeight> (2,880)
379.49526

>  <PCAT_CMPD_ID> (2,880)
WAY-323458

>  <CNC_ID> (2,880)
359410206

>  <transfer_container_id> (2,880)
PTN000000073

>  <COMPOUND_NUMBER> (2,880)
WAY-323458

>  <LOCATION_CODE> (2,880)
PTNCS

>  <AMOUNT_CURRENT> (2,880)
32.5

$$$$
WAY-323321
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,881)
2884

>  <Formula> (2,881)
C18H19NO5

>  <MolWeight> (2,881)
329.34716

>  <PCAT_CMPD_ID> (2,881)
WAY-323321

>  <CNC_ID> (2,881)
359410075

>  <transfer_container_id> (2,881)
PTN000000073

>  <COMPOUND_NUMBER> (2,881)
WAY-323321

>  <LOCATION_CODE> (2,881)
PTNCS

>  <AMOUNT_CURRENT> (2,881)
32.5

$$$$
WAY-323410
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,882)
2885

>  <Formula> (2,882)
C22H15N3O3S2

>  <MolWeight> (2,882)
433.5028

>  <PCAT_CMPD_ID> (2,882)
WAY-323410

>  <CNC_ID> (2,882)
359410160

>  <transfer_container_id> (2,882)
PTN000000073

>  <COMPOUND_NUMBER> (2,882)
WAY-323410

>  <LOCATION_CODE> (2,882)
PTNCS

>  <AMOUNT_CURRENT> (2,882)
32.5

$$$$
WAY-325361
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,883)
2886

>  <Formula> (2,883)
C18H17Cl2NO3

>  <MolWeight> (2,883)
366.23848

>  <PCAT_CMPD_ID> (2,883)
WAY-325361

>  <CNC_ID> (2,883)
359412082

>  <transfer_container_id> (2,883)
PTN000000073

>  <COMPOUND_NUMBER> (2,883)
WAY-325361

>  <LOCATION_CODE> (2,883)
PTNCS

>  <AMOUNT_CURRENT> (2,883)
32.5

$$$$
WAY-325394
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,884)
2887

>  <Formula> (2,884)
C15H18N2O2

>  <MolWeight> (2,884)
258.31562

>  <PCAT_CMPD_ID> (2,884)
WAY-325394

>  <CNC_ID> (2,884)
359412115

>  <transfer_container_id> (2,884)
PTN000000073

>  <COMPOUND_NUMBER> (2,884)
WAY-325394

>  <LOCATION_CODE> (2,884)
PTNCS

>  <AMOUNT_CURRENT> (2,884)
32.5

$$$$
WAY-606122
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,885)
2888

>  <Formula> (2,885)
C20H22F2N2O3S

>  <MolWeight> (2,885)
408.4620864

>  <PCAT_CMPD_ID> (2,885)
WAY-606122

>  <CNC_ID> (2,885)
359414537

>  <transfer_container_id> (2,885)
PTN000000073

>  <COMPOUND_NUMBER> (2,885)
WAY-606122

>  <LOCATION_CODE> (2,885)
PTNCS

>  <AMOUNT_CURRENT> (2,885)
32.5

$$$$
WAY-607758
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,886)
2889

>  <Formula> (2,886)
C19H12OS

>  <MolWeight> (2,886)
288.36298

>  <PCAT_CMPD_ID> (2,886)
WAY-607758

>  <CNC_ID> (2,886)
359416179

>  <transfer_container_id> (2,886)
PTN000000073

>  <COMPOUND_NUMBER> (2,886)
WAY-607758

>  <LOCATION_CODE> (2,886)
PTNCS

>  <AMOUNT_CURRENT> (2,886)
32.7

$$$$
WAY-659008
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,887)
2890

>  <Formula> (2,887)
C19H24N2O2

>  <MolWeight> (2,887)
312.40606

>  <PCAT_CMPD_ID> (2,887)
WAY-659008

>  <CNC_ID> (2,887)
359419061

>  <transfer_container_id> (2,887)
PTN000000073

>  <COMPOUND_NUMBER> (2,887)
WAY-659008

>  <LOCATION_CODE> (2,887)
PTNCS

>  <AMOUNT_CURRENT> (2,887)
32.1

$$$$
WAY-659013
csChFnd80/10101909502D

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 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,888)
2891

>  <Formula> (2,888)
C18H21NO3

>  <MolWeight> (2,888)
299.36424

>  <PCAT_CMPD_ID> (2,888)
WAY-659013

>  <CNC_ID> (2,888)
359419066

>  <transfer_container_id> (2,888)
PTN000000073

>  <COMPOUND_NUMBER> (2,888)
WAY-659013

>  <LOCATION_CODE> (2,888)
PTNCS

>  <AMOUNT_CURRENT> (2,888)
32.8

$$$$
WAY-659769
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,889)
2892

>  <Formula> (2,889)
C19H17NO4

>  <MolWeight> (2,889)
323.34258

>  <PCAT_CMPD_ID> (2,889)
WAY-659769

>  <CNC_ID> (2,889)
359419822

>  <transfer_container_id> (2,889)
PTN000000073

>  <COMPOUND_NUMBER> (2,889)
WAY-659769

>  <LOCATION_CODE> (2,889)
PTNCS

>  <AMOUNT_CURRENT> (2,889)
32.8

$$$$
GI-570990
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,890)
2893

>  <Formula> (2,890)
C15H15ClO6S2

>  <MolWeight> (2,890)
390.859

>  <PCAT_CMPD_ID> (2,890)
GI-570990

>  <CNC_ID> (2,890)
359420055

>  <transfer_container_id> (2,890)
PTN000000074

>  <COMPOUND_NUMBER> (2,890)
GI-570990

>  <LOCATION_CODE> (2,890)
PTNCS

>  <AMOUNT_CURRENT> (2,890)
33

$$$$
WAY-325835
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,891)
2894

>  <Formula> (2,891)
C26H24N4O2

>  <MolWeight> (2,891)
424.49436

>  <PCAT_CMPD_ID> (2,891)
WAY-325835

>  <CNC_ID> (2,891)
359422813

>  <transfer_container_id> (2,891)
PTN000000074

>  <COMPOUND_NUMBER> (2,891)
WAY-325835

>  <LOCATION_CODE> (2,891)
PTNCS

>  <AMOUNT_CURRENT> (2,891)
32.5

$$$$
WAY-325897
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (2,892)
2895

>  <Formula> (2,892)
C15H16N6

>  <MolWeight> (2,892)
280.32774

>  <PCAT_CMPD_ID> (2,892)
WAY-325897

>  <CNC_ID> (2,892)
359422872

>  <transfer_container_id> (2,892)
PTN000000074

>  <COMPOUND_NUMBER> (2,892)
WAY-325897

>  <LOCATION_CODE> (2,892)
PTNCS

>  <AMOUNT_CURRENT> (2,892)
32.5

$$$$
WAY-621432
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
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 16 20  1  0  0  0  0
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 13 12  2  0  0  0  0
 25 26  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,893)
2896

>  <Formula> (2,893)
C19H20N2O4S

>  <MolWeight> (2,893)
372.4381

>  <PCAT_CMPD_ID> (2,893)
WAY-621432

>  <CNC_ID> (2,893)
359428705

>  <transfer_container_id> (2,893)
PTN000000074

>  <COMPOUND_NUMBER> (2,893)
WAY-621432

>  <LOCATION_CODE> (2,893)
PTNCS

>  <AMOUNT_CURRENT> (2,893)
32.7

$$$$
WAY-332820
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 13  7  1  0  0  0  0
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  4  5  1  0  0  0  0
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 18 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,894)
2897

>  <Formula> (2,894)
C20H16ClN3O

>  <MolWeight> (2,894)
349.81354

>  <PCAT_CMPD_ID> (2,894)
WAY-332820

>  <CNC_ID> (2,894)
359331356

>  <transfer_container_id> (2,894)
PTN000000067

>  <COMPOUND_NUMBER> (2,894)
WAY-332820

>  <LOCATION_CODE> (2,894)
PTNCS

>  <AMOUNT_CURRENT> (2,894)
32.5

$$$$
WAY-329925
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,895)
2898

>  <Formula> (2,895)
C12H14N2O3S

>  <MolWeight> (2,895)
266.31616

>  <PCAT_CMPD_ID> (2,895)
WAY-329925

>  <CNC_ID> (2,895)
359317291

>  <transfer_container_id> (2,895)
PTN000000065

>  <COMPOUND_NUMBER> (2,895)
WAY-329925

>  <LOCATION_CODE> (2,895)
PTNCS

>  <AMOUNT_CURRENT> (2,895)
32.5

$$$$
WAY-312850
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,896)
2899

>  <Formula> (2,896)
C10H12N2O3S

>  <MolWeight> (2,896)
240.27888

>  <PCAT_CMPD_ID> (2,896)
WAY-312850

>  <CNC_ID> (2,896)
359327887

>  <transfer_container_id> (2,896)
PTN000000067

>  <COMPOUND_NUMBER> (2,896)
WAY-312850

>  <LOCATION_CODE> (2,896)
PTNCS

>  <AMOUNT_CURRENT> (2,896)
33.2

$$$$
WAY-313095-A
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,897)
2900

>  <Formula> (2,897)
C23H21N2O+

>  <MolWeight> (2,897)
341.42564

>  <PCAT_CMPD_ID> (2,897)
WAY-313095-A

>  <CNC_ID> (2,897)
359328131

>  <transfer_container_id> (2,897)
PTN000000067

>  <COMPOUND_NUMBER> (2,897)
WAY-313095-A

>  <LOCATION_CODE> (2,897)
PTNCS

>  <AMOUNT_CURRENT> (2,897)
33.1

$$$$
WAY-312762
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,898)
2901

>  <Formula> (2,898)
C18H18N2O2S

>  <MolWeight> (2,898)
326.41272

>  <PCAT_CMPD_ID> (2,898)
WAY-312762

>  <CNC_ID> (2,898)
359327799

>  <transfer_container_id> (2,898)
PTN000000067

>  <COMPOUND_NUMBER> (2,898)
WAY-312762

>  <LOCATION_CODE> (2,898)
PTNCS

>  <AMOUNT_CURRENT> (2,898)
33.5

$$$$
WAY-313104
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,899)
2902

>  <Formula> (2,899)
C21H17BrN2O3

>  <MolWeight> (2,899)
425.27528

>  <PCAT_CMPD_ID> (2,899)
WAY-313104

>  <CNC_ID> (2,899)
359328140

>  <transfer_container_id> (2,899)
PTN000000067

>  <COMPOUND_NUMBER> (2,899)
WAY-313104

>  <LOCATION_CODE> (2,899)
PTNCS

>  <AMOUNT_CURRENT> (2,899)
33.7

$$$$
WAY-313008-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,900)
2903

>  <Formula> (2,900)
C23H29NO

>  <MolWeight> (2,900)
335.48246

>  <PCAT_CMPD_ID> (2,900)
WAY-313008-A

>  <CNC_ID> (2,900)
359328045

>  <transfer_container_id> (2,900)
PTN000000067

>  <COMPOUND_NUMBER> (2,900)
WAY-313008-A

>  <LOCATION_CODE> (2,900)
PTNCS

>  <AMOUNT_CURRENT> (2,900)
33.3

$$$$
WAY-313263
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,901)
2904

>  <Formula> (2,901)
C18H21NO3

>  <MolWeight> (2,901)
299.36424

>  <PCAT_CMPD_ID> (2,901)
WAY-313263

>  <CNC_ID> (2,901)
359328299

>  <transfer_container_id> (2,901)
PTN000000067

>  <COMPOUND_NUMBER> (2,901)
WAY-313263

>  <LOCATION_CODE> (2,901)
PTNCS

>  <AMOUNT_CURRENT> (2,901)
33.7

$$$$
WAY-297898-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,902)
2905

>  <Formula> (2,902)
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>  <MolWeight> (2,902)
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>  <PCAT_CMPD_ID> (2,902)
WAY-297898-A

>  <CNC_ID> (2,902)
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>  <transfer_container_id> (2,902)
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>  <COMPOUND_NUMBER> (2,902)
WAY-297898-A

>  <LOCATION_CODE> (2,902)
PTNCS

>  <AMOUNT_CURRENT> (2,902)
33.4

$$$$
WAY-297913
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,903)
2906

>  <Formula> (2,903)
C18H13N3O7

>  <MolWeight> (2,903)
383.31172

>  <PCAT_CMPD_ID> (2,903)
WAY-297913

>  <CNC_ID> (2,903)
359344357

>  <transfer_container_id> (2,903)
PTN000000068

>  <COMPOUND_NUMBER> (2,903)
WAY-297913

>  <LOCATION_CODE> (2,903)
PTNCS

>  <AMOUNT_CURRENT> (2,903)
33.1

$$$$
WAY-297968
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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  7  9  2  0  0  0  0
 10 12  1  0  0  0  0
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M  END
>  <Mol_ID> (2,904)
2907

>  <Formula> (2,904)
C13H12N2OS3

>  <MolWeight> (2,904)
308.44218

>  <PCAT_CMPD_ID> (2,904)
WAY-297968

>  <CNC_ID> (2,904)
359344412

>  <transfer_container_id> (2,904)
PTN000000068

>  <COMPOUND_NUMBER> (2,904)
WAY-297968

>  <LOCATION_CODE> (2,904)
PTNCS

>  <AMOUNT_CURRENT> (2,904)
33.4

$$$$
WAY-297971
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,905)
2908

>  <Formula> (2,905)
C11H10ClN5O3S

>  <MolWeight> (2,905)
327.7468

>  <PCAT_CMPD_ID> (2,905)
WAY-297971

>  <CNC_ID> (2,905)
359344415

>  <transfer_container_id> (2,905)
PTN000000068

>  <COMPOUND_NUMBER> (2,905)
WAY-297971

>  <LOCATION_CODE> (2,905)
PTNCS

>  <AMOUNT_CURRENT> (2,905)
33.2

$$$$
WL-312496
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,906)
2909

>  <Formula> (2,906)
C16H14N2O2S

>  <MolWeight> (2,906)
298.35956

>  <PCAT_CMPD_ID> (2,906)
WL-312496

>  <CNC_ID> (2,906)
359353689

>  <transfer_container_id> (2,906)
PTN000000068

>  <COMPOUND_NUMBER> (2,906)
WL-312496

>  <LOCATION_CODE> (2,906)
PTNCS

>  <AMOUNT_CURRENT> (2,906)
33.3

$$$$
CL-420838
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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M  END
>  <Mol_ID> (2,907)
2910

>  <Formula> (2,907)
C15H18ClN3O2

>  <MolWeight> (2,907)
307.77532

>  <PCAT_CMPD_ID> (2,907)
CL-420838

>  <CNC_ID> (2,907)
359367474

>  <transfer_container_id> (2,907)
PTN000000070

>  <COMPOUND_NUMBER> (2,907)
CL-420838

>  <LOCATION_CODE> (2,907)
PTNCS

>  <AMOUNT_CURRENT> (2,907)
33.5

$$$$
WAY-114860
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,908)
2911

>  <Formula> (2,908)
C10H16N2OS

>  <MolWeight> (2,908)
212.31184

>  <PCAT_CMPD_ID> (2,908)
WAY-114860

>  <CNC_ID> (2,908)
359367588

>  <transfer_container_id> (2,908)
PTN000000070

>  <COMPOUND_NUMBER> (2,908)
WAY-114860

>  <LOCATION_CODE> (2,908)
PTNCS

>  <AMOUNT_CURRENT> (2,908)
33.3

$$$$
WAY-243314
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17  4  2  0  0  0  0
 18  1  1  0  0  0  0
 19  4  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
  5 15  1  0  0  0  0
 14  3  1  0  0  0  0
M  END
>  <Mol_ID> (2,909)
2912

>  <Formula> (2,909)
C13H25N3O4S

>  <MolWeight> (2,909)
319.4203

>  <PCAT_CMPD_ID> (2,909)
WAY-243314

>  <CNC_ID> (2,909)
359367957

>  <transfer_container_id> (2,909)
PTN000000070

>  <COMPOUND_NUMBER> (2,909)
WAY-243314

>  <LOCATION_CODE> (2,909)
PTNCS

>  <AMOUNT_CURRENT> (2,909)
33.5

$$$$
WAY-299578
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  9 14  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12 17  2  0  0  0  0
 13  5  2  0  0  0  0
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 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
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 18 11  2  0  0  0  0
 19  9  1  0  0  0  0
 20 15  2  0  0  0  0
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 25  8  1  0  0  0  0
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  8  7  2  0  0  0  0
 29 30  1  0  0  0  0
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 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,910)
2913

>  <Formula> (2,910)
C25H21NO4

>  <MolWeight> (2,910)
399.43854

>  <PCAT_CMPD_ID> (2,910)
WAY-299578

>  <CNC_ID> (2,910)
359370255

>  <transfer_container_id> (2,910)
PTN000000070

>  <COMPOUND_NUMBER> (2,910)
WAY-299578

>  <LOCATION_CODE> (2,910)
PTNCS

>  <AMOUNT_CURRENT> (2,910)
33.1

$$$$
WAY-299593
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
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 13 17  1  0  0  0  0
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 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 10 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,911)
2914

>  <Formula> (2,911)
C13H22N6O2

>  <MolWeight> (2,911)
294.35278

>  <PCAT_CMPD_ID> (2,911)
WAY-299593

>  <CNC_ID> (2,911)
359370270

>  <transfer_container_id> (2,911)
PTN000000070

>  <COMPOUND_NUMBER> (2,911)
WAY-299593

>  <LOCATION_CODE> (2,911)
PTNCS

>  <AMOUNT_CURRENT> (2,911)
31.2

$$$$
WAY-300121
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 13  3  1  0  0  0  0
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 15  9  2  0  0  0  0
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 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
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 10  6  2  0  0  0  0
 20 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (2,912)
2915

>  <Formula> (2,912)
C17H17NO6S

>  <MolWeight> (2,912)
363.38498

>  <PCAT_CMPD_ID> (2,912)
WAY-300121

>  <CNC_ID> (2,912)
359370791

>  <transfer_container_id> (2,912)
PTN000000070

>  <COMPOUND_NUMBER> (2,912)
WAY-300121

>  <LOCATION_CODE> (2,912)
PTNCS

>  <AMOUNT_CURRENT> (2,912)
31.8

$$$$
WAY-299763
csChFnd80/10101909502D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
  9 11  2  0  0  0  0
 15 19  2  0  0  0  0
 21 22  1  0  0  0  0
 25 27  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (2,913)
2916

>  <Formula> (2,913)
C25H19N3O4

>  <MolWeight> (2,913)
425.43606

>  <PCAT_CMPD_ID> (2,913)
WAY-299763

>  <CNC_ID> (2,913)
359370440

>  <transfer_container_id> (2,913)
PTN000000070

>  <COMPOUND_NUMBER> (2,913)
WAY-299763

>  <LOCATION_CODE> (2,913)
PTNCS

>  <AMOUNT_CURRENT> (2,913)
33.2

$$$$
WAY-300688
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
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 22 24  2  0  0  0  0
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 27 28  1  0  0  0  0
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  6  8  1  0  0  0  0
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 15 17  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (2,914)
2917

>  <Formula> (2,914)
C21H21N3O5S

>  <MolWeight> (2,914)
427.47354

>  <PCAT_CMPD_ID> (2,914)
WAY-300688

>  <CNC_ID> (2,914)
359371331

>  <transfer_container_id> (2,914)
PTN000000070

>  <COMPOUND_NUMBER> (2,914)
WAY-300688

>  <LOCATION_CODE> (2,914)
PTNCS

>  <AMOUNT_CURRENT> (2,914)
33.2

$$$$
WAY-300741
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.5166   -0.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14  5  2  0  0  0  0
 15  4  2  0  0  0  0
 16  5  1  0  0  0  0
 17  4  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
  2  9  2  0  0  0  0
 13 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,915)
2918

>  <Formula> (2,915)
C13H13NO4S

>  <MolWeight> (2,915)
279.31162

>  <PCAT_CMPD_ID> (2,915)
WAY-300741

>  <CNC_ID> (2,915)
359371383

>  <transfer_container_id> (2,915)
PTN000000070

>  <COMPOUND_NUMBER> (2,915)
WAY-300741

>  <LOCATION_CODE> (2,915)
PTNCS

>  <AMOUNT_CURRENT> (2,915)
33

$$$$
WAY-388357
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
   12.7792   -3.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
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  7  2  1  0  0  0  0
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 10  1  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 19  2  0  0  0  0
 14  6  2  0  0  0  0
 15  4  1  0  0  0  0
 16  8  1  0  0  0  0
 17  8  2  0  0  0  0
 18 16  2  0  0  0  0
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 20  4  1  0  0  0  0
 21 12  1  0  0  0  0
 22 15  2  0  0  0  0
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 27 25  1  0  0  0  0
 13 18  1  0  0  0  0
 26 27  2  0  0  0  0
 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (2,916)
2919

>  <Formula> (2,916)
C19H19N3O3S2

>  <MolWeight> (2,916)
401.50246

>  <PCAT_CMPD_ID> (2,916)
WAY-388357

>  <CNC_ID> (2,916)
359372497

>  <transfer_container_id> (2,916)
PTN000000070

>  <COMPOUND_NUMBER> (2,916)
WAY-388357

>  <LOCATION_CODE> (2,916)
PTNCS

>  <AMOUNT_CURRENT> (2,916)
32.7

$$$$
WAY-388422
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
   13.7375   -7.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
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 10  2  2  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
 14  7  1  0  0  0  0
 15  4  1  0  0  0  0
 16 10  1  0  0  0  0
 17  6  2  0  0  0  0
 18 14  2  0  0  0  0
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 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
 12 23  1  0  0  0  0
  9 18  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
>  <Mol_ID> (2,917)
2920

>  <Formula> (2,917)
C16H13Cl2NO3S

>  <MolWeight> (2,917)
370.25032

>  <PCAT_CMPD_ID> (2,917)
WAY-388422

>  <CNC_ID> (2,917)
359372562

>  <transfer_container_id> (2,917)
PTN000000070

>  <COMPOUND_NUMBER> (2,917)
WAY-388422

>  <LOCATION_CODE> (2,917)
PTNCS

>  <AMOUNT_CURRENT> (2,917)
32.4

$$$$
WAY-388510
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   10.4250  -10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1167   -5.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7875  -10.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4792  -11.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0250   -8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6875  -11.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  2  0  0  0  0
 12  5  1  0  0  0  0
 13  4  2  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 11 13  1  0  0  0  0
 23 19  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (2,918)
2921

>  <Formula> (2,918)
C18H27N3OS

>  <MolWeight> (2,918)
333.49148

>  <PCAT_CMPD_ID> (2,918)
WAY-388510

>  <CNC_ID> (2,918)
359372648

>  <transfer_container_id> (2,918)
PTN000000070

>  <COMPOUND_NUMBER> (2,918)
WAY-388510

>  <LOCATION_CODE> (2,918)
PTNCS

>  <AMOUNT_CURRENT> (2,918)
32.3

$$$$
WAY-388517
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.9667  -11.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -12.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792  -11.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3625  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1792  -13.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -8.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417  -12.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8875   -8.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7167  -10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5500  -11.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6750   -8.9792    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -14.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7875  -14.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9667  -15.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1875  -15.2750    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  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10 15  1  0  0  0  0
 11  2  2  0  0  0  0
 12  4  2  0  0  0  0
 13 17  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16  8  2  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20  5  2  0  0  0  0
 21  7  2  0  0  0  0
 22 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
  5  7  1  0  0  0  0
 23 24  2  0  0  0  0
 10 13  2  0  0  0  0
M  END
>  <Mol_ID> (2,919)
2922

>  <Formula> (2,919)
C17H14BrN3O3

>  <MolWeight> (2,919)
388.21536

>  <PCAT_CMPD_ID> (2,919)
WAY-388517

>  <CNC_ID> (2,919)
359372655

>  <transfer_container_id> (2,919)
PTN000000070

>  <COMPOUND_NUMBER> (2,919)
WAY-388517

>  <LOCATION_CODE> (2,919)
PTNCS

>  <AMOUNT_CURRENT> (2,919)
32.8

$$$$
WAY-388566
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.9750   -7.9792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3917   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6500   -7.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -5.9375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7542   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167   -8.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7625   -9.9417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5042  -10.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7417  -13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6542   -6.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8625   -9.0792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5167   -7.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500  -10.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5917  -11.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000  -14.4625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    7.3875   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1292   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -2.4000    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  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 10  1  0  0  0  0
 19 16  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
  5  4  1  0  0  0  0
 17 11  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (2,920)
2923

>  <Formula> (2,920)
C18H15BrFN3O3

>  <MolWeight> (2,920)
420.2324032

>  <PCAT_CMPD_ID> (2,920)
WAY-388566

>  <CNC_ID> (2,920)
359372704

>  <transfer_container_id> (2,920)
PTN000000070

>  <COMPOUND_NUMBER> (2,920)
WAY-388566

>  <LOCATION_CODE> (2,920)
PTNCS

>  <AMOUNT_CURRENT> (2,920)
32.8

$$$$
WAY-389089
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
   11.7625  -10.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292  -10.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6792  -11.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7500  -11.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167  -11.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4000  -13.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6750   -9.8625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8167   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11 16  2  0  0  0  0
 12  3  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17  6  2  0  0  0  0
 18 17  1  0  0  0  0
 19 22  2  0  0  0  0
 20 18  2  0  0  0  0
 21 14  2  0  0  0  0
 22 21  1  0  0  0  0
 20 13  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,921)
2924

>  <Formula> (2,921)
C15H15BrN4O2

>  <MolWeight> (2,921)
363.2092

>  <PCAT_CMPD_ID> (2,921)
WAY-389089

>  <CNC_ID> (2,921)
359373222

>  <transfer_container_id> (2,921)
PTN000000070

>  <COMPOUND_NUMBER> (2,921)
WAY-389089

>  <LOCATION_CODE> (2,921)
PTNCS

>  <AMOUNT_CURRENT> (2,921)
32.4

$$$$
WAY-389117
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.7625   -3.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8792   -1.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16 18  2  0  0  0  0
 17  9  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20  8  1  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
  4  8  2  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (2,922)
2925

>  <Formula> (2,922)
C14H15Cl2N3OS2

>  <MolWeight> (2,922)
376.3244

>  <PCAT_CMPD_ID> (2,922)
WAY-389117

>  <CNC_ID> (2,922)
359373249

>  <transfer_container_id> (2,922)
PTN000000070

>  <COMPOUND_NUMBER> (2,922)
WAY-389117

>  <LOCATION_CODE> (2,922)
PTNCS

>  <AMOUNT_CURRENT> (2,922)
32.8

$$$$
WAY-389222
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.8917   -6.1167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0042   -4.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9542   -9.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5917   -6.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750   -7.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4167   -4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  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 17  1  0  0  0  0
 19  5  2  0  0  0  0
 20  8  2  0  0  0  0
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 23 22  2  0  0  0  0
 23 20  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,923)
2926

>  <Formula> (2,923)
C17H24ClN3O2

>  <MolWeight> (2,923)
337.84436

>  <PCAT_CMPD_ID> (2,923)
WAY-389222

>  <CNC_ID> (2,923)
359373347

>  <transfer_container_id> (2,923)
PTN000000070

>  <COMPOUND_NUMBER> (2,923)
WAY-389222

>  <LOCATION_CODE> (2,923)
PTNCS

>  <AMOUNT_CURRENT> (2,923)
32.9

$$$$
WAY-389246
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
   14.0250  -10.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15  3  2  0  0  0  0
 16 13  1  0  0  0  0
 17  7  2  0  0  0  0
 18 11  1  0  0  0  0
 19  8  2  0  0  0  0
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 22 15  1  0  0  0  0
 23 17  1  0  0  0  0
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 25 23  2  0  0  0  0
  8  3  1  0  0  0  0
 24 22  2  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,924)
2927

>  <Formula> (2,924)
C19H19N3O3

>  <MolWeight> (2,924)
337.37246

>  <PCAT_CMPD_ID> (2,924)
WAY-389246

>  <CNC_ID> (2,924)
359373371

>  <transfer_container_id> (2,924)
PTN000000070

>  <COMPOUND_NUMBER> (2,924)
WAY-389246

>  <LOCATION_CODE> (2,924)
PTNCS

>  <AMOUNT_CURRENT> (2,924)
32.5

$$$$
WAY-389479
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
   11.9125   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 10  4  1  0  0  0  0
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 17 15  1  0  0  0  0
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 11  7  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (2,925)
2928

>  <Formula> (2,925)
C14H17BrClNO

>  <MolWeight> (2,925)
330.64788

>  <PCAT_CMPD_ID> (2,925)
WAY-389479

>  <CNC_ID> (2,925)
359373604

>  <transfer_container_id> (2,925)
PTN000000070

>  <COMPOUND_NUMBER> (2,925)
WAY-389479

>  <LOCATION_CODE> (2,925)
PTNCS

>  <AMOUNT_CURRENT> (2,925)
32.1

$$$$
GI-568207
csChFnd80/10101909502D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.8650   -0.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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 11 13  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (2,926)
2929

>  <Formula> (2,926)
C7H9NO3S2

>  <MolWeight> (2,926)
219.28126

>  <PCAT_CMPD_ID> (2,926)
GI-568207

>  <CNC_ID> (2,926)
359407769

>  <transfer_container_id> (2,926)
PTN000000073

>  <COMPOUND_NUMBER> (2,926)
GI-568207

>  <LOCATION_CODE> (2,926)
PTNCS

>  <AMOUNT_CURRENT> (2,926)
33

$$$$
WAY-306709
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
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 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 12  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,927)
2930

>  <Formula> (2,927)
C18H21F2NO3

>  <MolWeight> (2,927)
337.3610464

>  <PCAT_CMPD_ID> (2,927)
WAY-306709

>  <CNC_ID> (2,927)
359409207

>  <transfer_container_id> (2,927)
PTN000000073

>  <COMPOUND_NUMBER> (2,927)
WAY-306709

>  <LOCATION_CODE> (2,927)
PTNCS

>  <AMOUNT_CURRENT> (2,927)
33.1

$$$$
WAY-309324
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11 17  2  0  0  0  0
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 13  8  1  0  0  0  0
 14  7  1  0  0  0  0
 15 14  1  0  0  0  0
 16  4  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
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 23 21  1  0  0  0  0
  5 13  2  0  0  0  0
  6 11  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,928)
2931

>  <Formula> (2,928)
C18H14N2O2S

>  <MolWeight> (2,928)
322.38096

>  <PCAT_CMPD_ID> (2,928)
WAY-309324

>  <CNC_ID> (2,928)
359422176

>  <transfer_container_id> (2,928)
PTN000000074

>  <COMPOUND_NUMBER> (2,928)
WAY-309324

>  <LOCATION_CODE> (2,928)
PTNCS

>  <AMOUNT_CURRENT> (2,928)
33.3

$$$$
GI-570391
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  5  7  2  0  0  0  0
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M  END
>  <Mol_ID> (2,929)
2932

>  <Formula> (2,929)
C16H24N2O3S

>  <MolWeight> (2,929)
324.43836

>  <PCAT_CMPD_ID> (2,929)
GI-570391

>  <CNC_ID> (2,929)
359326800

>  <transfer_container_id> (2,929)
PTN000000067

>  <COMPOUND_NUMBER> (2,929)
GI-570391

>  <LOCATION_CODE> (2,929)
PTNCS

>  <AMOUNT_CURRENT> (2,929)
33.7

$$$$
WAY-313083
csChFnd80/10101909502D

 29 33  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
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 11 16  2  0  0  0  0
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 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
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 14 18  2  0  0  0  0
 19 20  2  0  0  0  0
 23 25  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (2,930)
2933

>  <Formula> (2,930)
C25H19N3O

>  <MolWeight> (2,930)
377.43786

>  <PCAT_CMPD_ID> (2,930)
WAY-313083

>  <CNC_ID> (2,930)
359328119

>  <transfer_container_id> (2,930)
PTN000000067

>  <COMPOUND_NUMBER> (2,930)
WAY-313083

>  <LOCATION_CODE> (2,930)
PTNCS

>  <AMOUNT_CURRENT> (2,930)
33.1

$$$$
WAY-313007
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 10 13  2  0  0  0  0
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 22 23  1  0  0  0  0
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  9 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (2,931)
2934

>  <Formula> (2,931)
C17H13FN2O3

>  <MolWeight> (2,931)
312.2951232

>  <PCAT_CMPD_ID> (2,931)
WAY-313007

>  <CNC_ID> (2,931)
359328044

>  <transfer_container_id> (2,931)
PTN000000067

>  <COMPOUND_NUMBER> (2,931)
WAY-313007

>  <LOCATION_CODE> (2,931)
PTNCS

>  <AMOUNT_CURRENT> (2,931)
33

$$$$
WAY-112463
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
 11  9  1  0  0  0  0
 12  1  1  0  0  0  0
 13  2  1  0  0  0  0
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 15  4  2  0  0  0  0
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 20 15  1  0  0  0  0
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 16 21  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,932)
2935

>  <Formula> (2,932)
C17H20N2O2

>  <MolWeight> (2,932)
284.3529

>  <PCAT_CMPD_ID> (2,932)
WAY-112463

>  <CNC_ID> (2,932)
359326812

>  <transfer_container_id> (2,932)
PTN000000067

>  <COMPOUND_NUMBER> (2,932)
WAY-112463

>  <LOCATION_CODE> (2,932)
PTNCS

>  <AMOUNT_CURRENT> (2,932)
33.8

$$$$
WAY-116700
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,933)
2936

>  <Formula> (2,933)
C12H10N4O

>  <MolWeight> (2,933)
226.234

>  <PCAT_CMPD_ID> (2,933)
WAY-116700

>  <CNC_ID> (2,933)
359326822

>  <transfer_container_id> (2,933)
PTN000000067

>  <COMPOUND_NUMBER> (2,933)
WAY-116700

>  <LOCATION_CODE> (2,933)
PTNCS

>  <AMOUNT_CURRENT> (2,933)
29.3

$$$$
WAY-312917
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,934)
2937

>  <Formula> (2,934)
C20H14N2OS

>  <MolWeight> (2,934)
330.40296

>  <PCAT_CMPD_ID> (2,934)
WAY-312917

>  <CNC_ID> (2,934)
359327954

>  <transfer_container_id> (2,934)
PTN000000067

>  <COMPOUND_NUMBER> (2,934)
WAY-312917

>  <LOCATION_CODE> (2,934)
PTNCS

>  <AMOUNT_CURRENT> (2,934)
33

$$$$
WAY-313097
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,935)
2938

>  <Formula> (2,935)
C17H18ClNO

>  <MolWeight> (2,935)
287.78392

>  <PCAT_CMPD_ID> (2,935)
WAY-313097

>  <CNC_ID> (2,935)
359328133

>  <transfer_container_id> (2,935)
PTN000000067

>  <COMPOUND_NUMBER> (2,935)
WAY-313097

>  <LOCATION_CODE> (2,935)
PTNCS

>  <AMOUNT_CURRENT> (2,935)
33.3

$$$$
WAY-313092
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,936)
2939

>  <Formula> (2,936)
C12H16BrNO5

>  <MolWeight> (2,936)
334.16314

>  <PCAT_CMPD_ID> (2,936)
WAY-313092

>  <CNC_ID> (2,936)
359328128

>  <transfer_container_id> (2,936)
PTN000000067

>  <COMPOUND_NUMBER> (2,936)
WAY-313092

>  <LOCATION_CODE> (2,936)
PTNCS

>  <AMOUNT_CURRENT> (2,936)
33.5

$$$$
WAY-312895
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
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 14  7  1  0  0  0  0
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 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,937)
2940

>  <Formula> (2,937)
C12H15NO4

>  <MolWeight> (2,937)
237.2518

>  <PCAT_CMPD_ID> (2,937)
WAY-312895

>  <CNC_ID> (2,937)
359327932

>  <transfer_container_id> (2,937)
PTN000000067

>  <COMPOUND_NUMBER> (2,937)
WAY-312895

>  <LOCATION_CODE> (2,937)
PTNCS

>  <AMOUNT_CURRENT> (2,937)
33.6

$$$$
WAY-312963
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,938)
2941

>  <Formula> (2,938)
C17H17N5O2S

>  <MolWeight> (2,938)
355.41418

>  <PCAT_CMPD_ID> (2,938)
WAY-312963

>  <CNC_ID> (2,938)
359328000

>  <transfer_container_id> (2,938)
PTN000000067

>  <COMPOUND_NUMBER> (2,938)
WAY-312963

>  <LOCATION_CODE> (2,938)
PTNCS

>  <AMOUNT_CURRENT> (2,938)
33.5

$$$$
CL-402431
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 14 15  2  0  0  0  0
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  5  7  1  0  0  0  0
 10 12  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,939)
2942

>  <Formula> (2,939)
C16H13NO5S

>  <MolWeight> (2,939)
331.34312

>  <PCAT_CMPD_ID> (2,939)
CL-402431

>  <CNC_ID> (2,939)
359339879

>  <transfer_container_id> (2,939)
PTN000000068

>  <COMPOUND_NUMBER> (2,939)
CL-402431

>  <LOCATION_CODE> (2,939)
PTNCS

>  <AMOUNT_CURRENT> (2,939)
33.1

$$$$
CL-403398
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.1207   -1.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
  6  7  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (2,940)
2943

>  <Formula> (2,940)
C15H13NO3S

>  <MolWeight> (2,940)
287.33362

>  <PCAT_CMPD_ID> (2,940)
CL-403398

>  <CNC_ID> (2,940)
359339884

>  <transfer_container_id> (2,940)
PTN000000068

>  <COMPOUND_NUMBER> (2,940)
CL-403398

>  <LOCATION_CODE> (2,940)
PTNCS

>  <AMOUNT_CURRENT> (2,940)
33.4

$$$$
CL-404472
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.8578   -0.6171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  4 10  2  0  0  0  0
  7 11  1  0  0  0  0
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 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 22 23  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,941)
2944

>  <Formula> (2,941)
C16H10BrN3O2S

>  <MolWeight> (2,941)
388.2385

>  <PCAT_CMPD_ID> (2,941)
CL-404472

>  <CNC_ID> (2,941)
359339890

>  <transfer_container_id> (2,941)
PTN000000068

>  <COMPOUND_NUMBER> (2,941)
CL-404472

>  <LOCATION_CODE> (2,941)
PTNCS

>  <AMOUNT_CURRENT> (2,941)
33.3

$$$$
CL-427193
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  4 10  2  0  0  0  0
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 13 15  1  0  0  0  0
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 17 19  2  0  0  0  0
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 20 21  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (2,942)
2945

>  <Formula> (2,942)
C16H13ClN2OS

>  <MolWeight> (2,942)
316.80522

>  <PCAT_CMPD_ID> (2,942)
CL-427193

>  <CNC_ID> (2,942)
359339955

>  <transfer_container_id> (2,942)
PTN000000068

>  <COMPOUND_NUMBER> (2,942)
CL-427193

>  <LOCATION_CODE> (2,942)
PTNCS

>  <AMOUNT_CURRENT> (2,942)
33.2

$$$$
GI-570772
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  6  7  2  0  0  0  0
 12 13  1  0  0  0  0
 17 20  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,943)
2946

>  <Formula> (2,943)
C18H13N3OS

>  <MolWeight> (2,943)
319.38032

>  <PCAT_CMPD_ID> (2,943)
GI-570772

>  <CNC_ID> (2,943)
359339998

>  <transfer_container_id> (2,943)
PTN000000068

>  <COMPOUND_NUMBER> (2,943)
GI-570772

>  <LOCATION_CODE> (2,943)
PTNCS

>  <AMOUNT_CURRENT> (2,943)
33.2

$$$$
WAY-119463
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (2,944)
2947

>  <Formula> (2,944)
C14H15FN2O2

>  <MolWeight> (2,944)
262.2795032

>  <PCAT_CMPD_ID> (2,944)
WAY-119463

>  <CNC_ID> (2,944)
359340114

>  <transfer_container_id> (2,944)
PTN000000068

>  <COMPOUND_NUMBER> (2,944)
WAY-119463

>  <LOCATION_CODE> (2,944)
PTNCS

>  <AMOUNT_CURRENT> (2,944)
30.2

$$$$
WAY-225496-A
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15 11  2  0  0  0  0
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 18 15  1  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,945)
2948

>  <Formula> (2,945)
C14H21NO2S

>  <MolWeight> (2,945)
267.38704

>  <PCAT_CMPD_ID> (2,945)
WAY-225496-A

>  <CNC_ID> (2,945)
359340181

>  <transfer_container_id> (2,945)
PTN000000068

>  <COMPOUND_NUMBER> (2,945)
WAY-225496-A

>  <LOCATION_CODE> (2,945)
PTNCS

>  <AMOUNT_CURRENT> (2,945)
33.4

$$$$
WAY-233286
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0  0  0  0
 12 14  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,946)
2949

>  <Formula> (2,946)
C22H27NO3

>  <MolWeight> (2,946)
353.45468

>  <PCAT_CMPD_ID> (2,946)
WAY-233286

>  <CNC_ID> (2,946)
359340257

>  <transfer_container_id> (2,946)
PTN000000068

>  <COMPOUND_NUMBER> (2,946)
WAY-233286

>  <LOCATION_CODE> (2,946)
PTNCS

>  <AMOUNT_CURRENT> (2,946)
33.4

$$$$
WAY-297011
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  9 10  2  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (2,947)
2950

>  <Formula> (2,947)
C17H10Cl2F3N3OS2

>  <MolWeight> (2,947)
464.3120096

>  <PCAT_CMPD_ID> (2,947)
WAY-297011

>  <CNC_ID> (2,947)
359343455

>  <transfer_container_id> (2,947)
PTN000000068

>  <COMPOUND_NUMBER> (2,947)
WAY-297011

>  <LOCATION_CODE> (2,947)
PTNCS

>  <AMOUNT_CURRENT> (2,947)
33.2

$$$$
WAY-297016
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 14 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (2,948)
2951

>  <Formula> (2,948)
C22H17NO4

>  <MolWeight> (2,948)
359.37468

>  <PCAT_CMPD_ID> (2,948)
WAY-297016

>  <CNC_ID> (2,948)
359343460

>  <transfer_container_id> (2,948)
PTN000000068

>  <COMPOUND_NUMBER> (2,948)
WAY-297016

>  <LOCATION_CODE> (2,948)
PTNCS

>  <AMOUNT_CURRENT> (2,948)
33.3

$$$$
WAY-297066-A
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (2,949)
2952

>  <Formula> (2,949)
C18H15NO7S

>  <MolWeight> (2,949)
389.3792

>  <PCAT_CMPD_ID> (2,949)
WAY-297066-A

>  <CNC_ID> (2,949)
359343510

>  <transfer_container_id> (2,949)
PTN000000068

>  <COMPOUND_NUMBER> (2,949)
WAY-297066-A

>  <LOCATION_CODE> (2,949)
PTNCS

>  <AMOUNT_CURRENT> (2,949)
33.4

$$$$
WAY-297199
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,950)
2953

>  <Formula> (2,950)
C15H13N5O2

>  <MolWeight> (2,950)
295.29602

>  <PCAT_CMPD_ID> (2,950)
WAY-297199

>  <CNC_ID> (2,950)
359343643

>  <transfer_container_id> (2,950)
PTN000000068

>  <COMPOUND_NUMBER> (2,950)
WAY-297199

>  <LOCATION_CODE> (2,950)
PTNCS

>  <AMOUNT_CURRENT> (2,950)
33.4

$$$$
WAY-297437
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (2,951)
2954

>  <Formula> (2,951)
C21H15F3N4O3S

>  <MolWeight> (2,951)
460.4290096

>  <PCAT_CMPD_ID> (2,951)
WAY-297437

>  <CNC_ID> (2,951)
359343881

>  <transfer_container_id> (2,951)
PTN000000068

>  <COMPOUND_NUMBER> (2,951)
WAY-297437

>  <LOCATION_CODE> (2,951)
PTNCS

>  <AMOUNT_CURRENT> (2,951)
33.2

$$$$
WAY-359082
csChFnd80/10101909502D

 10 10  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (2,952)
2955

>  <Formula> (2,952)
C4H9N3O2S

>  <MolWeight> (2,952)
163.19816

>  <PCAT_CMPD_ID> (2,952)
WAY-359082

>  <CNC_ID> (2,952)
359446784

>  <transfer_container_id> (2,952)
PTN000000076

>  <COMPOUND_NUMBER> (2,952)
WAY-359082

>  <LOCATION_CODE> (2,952)
PTNCS

>  <AMOUNT_CURRENT> (2,952)
32.1

$$$$
WAY-331849
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,953)
2956

>  <Formula> (2,953)
C21H21NO4S

>  <MolWeight> (2,953)
383.46074

>  <PCAT_CMPD_ID> (2,953)
WAY-331849

>  <CNC_ID> (2,953)
359330387

>  <transfer_container_id> (2,953)
PTN000000067

>  <COMPOUND_NUMBER> (2,953)
WAY-331849

>  <LOCATION_CODE> (2,953)
PTNCS

>  <AMOUNT_CURRENT> (2,953)
32.5

$$$$
WAY-331790
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  7  2  0  0  0  0
M  END
>  <Mol_ID> (2,954)
2957

>  <Formula> (2,954)
C16H19NO5S

>  <MolWeight> (2,954)
337.39076

>  <PCAT_CMPD_ID> (2,954)
WAY-331790

>  <CNC_ID> (2,954)
359330328

>  <transfer_container_id> (2,954)
PTN000000067

>  <COMPOUND_NUMBER> (2,954)
WAY-331790

>  <LOCATION_CODE> (2,954)
PTNCS

>  <AMOUNT_CURRENT> (2,954)
32.5

$$$$
WAY-332124
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 20 31  2  0  0  0  0
 10  9  2  0  0  0  0
 26 21  2  0  0  0  0
M  END
>  <Mol_ID> (2,955)
2958

>  <Formula> (2,955)
C24H21FN2O4S

>  <MolWeight> (2,955)
452.4979432

>  <PCAT_CMPD_ID> (2,955)
WAY-332124

>  <CNC_ID> (2,955)
359330663

>  <transfer_container_id> (2,955)
PTN000000067

>  <COMPOUND_NUMBER> (2,955)
WAY-332124

>  <LOCATION_CODE> (2,955)
PTNCS

>  <AMOUNT_CURRENT> (2,955)
32.5

$$$$
WAY-332118
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,956)
2959

>  <Formula> (2,956)
C27H27FN2O4S

>  <MolWeight> (2,956)
494.5776832

>  <PCAT_CMPD_ID> (2,956)
WAY-332118

>  <CNC_ID> (2,956)
359330657

>  <transfer_container_id> (2,956)
PTN000000067

>  <COMPOUND_NUMBER> (2,956)
WAY-332118

>  <LOCATION_CODE> (2,956)
PTNCS

>  <AMOUNT_CURRENT> (2,956)
32.5

$$$$
WAY-332995
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 13  7  2  0  0  0  0
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M  END
>  <Mol_ID> (2,957)
2960

>  <Formula> (2,957)
C20H18N6O2

>  <MolWeight> (2,957)
374.39592

>  <PCAT_CMPD_ID> (2,957)
WAY-332995

>  <CNC_ID> (2,957)
359331530

>  <transfer_container_id> (2,957)
PTN000000067

>  <COMPOUND_NUMBER> (2,957)
WAY-332995

>  <LOCATION_CODE> (2,957)
PTNCS

>  <AMOUNT_CURRENT> (2,957)
32.5

$$$$
WAY-333031
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11 10  2  0  0  0  0
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  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,958)
2961

>  <Formula> (2,958)
C14H16N4OS2

>  <MolWeight> (2,958)
320.43304

>  <PCAT_CMPD_ID> (2,958)
WAY-333031

>  <CNC_ID> (2,958)
359331566

>  <transfer_container_id> (2,958)
PTN000000067

>  <COMPOUND_NUMBER> (2,958)
WAY-333031

>  <LOCATION_CODE> (2,958)
PTNCS

>  <AMOUNT_CURRENT> (2,958)
32.5

$$$$
WAY-332147
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,959)
2962

>  <Formula> (2,959)
C22H27N3O3

>  <MolWeight> (2,959)
381.46808

>  <PCAT_CMPD_ID> (2,959)
WAY-332147

>  <CNC_ID> (2,959)
359330686

>  <transfer_container_id> (2,959)
PTN000000067

>  <COMPOUND_NUMBER> (2,959)
WAY-332147

>  <LOCATION_CODE> (2,959)
PTNCS

>  <AMOUNT_CURRENT> (2,959)
32.5

$$$$
WAY-332165
csChFnd80/10101909502D

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 10  1  2  0  0  0  0
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 17  5  2  0  0  0  0
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M  END
>  <Mol_ID> (2,960)
2963

>  <Formula> (2,960)
C20H20N2O3

>  <MolWeight> (2,960)
336.3844

>  <PCAT_CMPD_ID> (2,960)
WAY-332165

>  <CNC_ID> (2,960)
359330701

>  <transfer_container_id> (2,960)
PTN000000067

>  <COMPOUND_NUMBER> (2,960)
WAY-332165

>  <LOCATION_CODE> (2,960)
PTNCS

>  <AMOUNT_CURRENT> (2,960)
32.5

$$$$
WAY-278834
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 17  6  1  0  0  0  0
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  3  6  2  0  0  0  0
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 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (2,961)
2964

>  <Formula> (2,961)
C16H13N3O2S

>  <MolWeight> (2,961)
311.35832

>  <PCAT_CMPD_ID> (2,961)
WAY-278834

>  <CNC_ID> (2,961)
359327553

>  <transfer_container_id> (2,961)
PTN000000067

>  <COMPOUND_NUMBER> (2,961)
WAY-278834

>  <LOCATION_CODE> (2,961)
PTNCS

>  <AMOUNT_CURRENT> (2,961)
32.5

$$$$
WAY-278811
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  9  2  0  0  0  0
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 14  5  1  0  0  0  0
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 18 20  2  0  0  0  0
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M  END
>  <Mol_ID> (2,962)
2965

>  <Formula> (2,962)
C21H19N3O2S

>  <MolWeight> (2,962)
377.45946

>  <PCAT_CMPD_ID> (2,962)
WAY-278811

>  <CNC_ID> (2,962)
359327531

>  <transfer_container_id> (2,962)
PTN000000067

>  <COMPOUND_NUMBER> (2,962)
WAY-278811

>  <LOCATION_CODE> (2,962)
PTNCS

>  <AMOUNT_CURRENT> (2,962)
32.5

$$$$
WAY-334000
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 17  2  1  0  0  0  0
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  6  3  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (2,963)
2966

>  <Formula> (2,963)
C14H16N2OS

>  <MolWeight> (2,963)
260.35464

>  <PCAT_CMPD_ID> (2,963)
WAY-334000

>  <CNC_ID> (2,963)
359332533

>  <transfer_container_id> (2,963)
PTN000000067

>  <COMPOUND_NUMBER> (2,963)
WAY-334000

>  <LOCATION_CODE> (2,963)
PTNCS

>  <AMOUNT_CURRENT> (2,963)
32.5

$$$$
WAY-332797
csChFnd80/10101909502D

 35 38  0  0  0  0  0  0  0  0999 V2000
   10.6000   -3.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,964)
2967

>  <Formula> (2,964)
C27H31FN4O3

>  <MolWeight> (2,964)
478.5584432

>  <PCAT_CMPD_ID> (2,964)
WAY-332797

>  <CNC_ID> (2,964)
359331333

>  <transfer_container_id> (2,964)
PTN000000067

>  <COMPOUND_NUMBER> (2,964)
WAY-332797

>  <LOCATION_CODE> (2,964)
PTNCS

>  <AMOUNT_CURRENT> (2,964)
32.5

$$$$
WAY-333368
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,965)
2968

>  <Formula> (2,965)
C20H22N6O

>  <MolWeight> (2,965)
362.42828

>  <PCAT_CMPD_ID> (2,965)
WAY-333368

>  <CNC_ID> (2,965)
359331902

>  <transfer_container_id> (2,965)
PTN000000067

>  <COMPOUND_NUMBER> (2,965)
WAY-333368

>  <LOCATION_CODE> (2,965)
PTNCS

>  <AMOUNT_CURRENT> (2,965)
32.5

$$$$
WAY-334225
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,966)
2969

>  <Formula> (2,966)
C22H24N4O2

>  <MolWeight> (2,966)
376.45156

>  <PCAT_CMPD_ID> (2,966)
WAY-334225

>  <CNC_ID> (2,966)
359332758

>  <transfer_container_id> (2,966)
PTN000000067

>  <COMPOUND_NUMBER> (2,966)
WAY-334225

>  <LOCATION_CODE> (2,966)
PTNCS

>  <AMOUNT_CURRENT> (2,966)
32.5

$$$$
WAY-334310
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,967)
2970

>  <Formula> (2,967)
C15H16BrClN4O3S

>  <MolWeight> (2,967)
447.73454

>  <PCAT_CMPD_ID> (2,967)
WAY-334310

>  <CNC_ID> (2,967)
359332843

>  <transfer_container_id> (2,967)
PTN000000067

>  <COMPOUND_NUMBER> (2,967)
WAY-334310

>  <LOCATION_CODE> (2,967)
PTNCS

>  <AMOUNT_CURRENT> (2,967)
32.5

$$$$
WAY-334070
csChFnd80/10101909502D

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 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
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 17 14  2  0  0  0  0
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 24 22  1  0  0  0  0
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M  END
>  <Mol_ID> (2,968)
2971

>  <Formula> (2,968)
C20H16N6O

>  <MolWeight> (2,968)
356.38064

>  <PCAT_CMPD_ID> (2,968)
WAY-334070

>  <CNC_ID> (2,968)
359332603

>  <transfer_container_id> (2,968)
PTN000000067

>  <COMPOUND_NUMBER> (2,968)
WAY-334070

>  <LOCATION_CODE> (2,968)
PTNCS

>  <AMOUNT_CURRENT> (2,968)
32.5

$$$$
WAY-334198
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.7582    0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (2,969)
2972

>  <Formula> (2,969)
C14H11N3OS

>  <MolWeight> (2,969)
269.32164

>  <PCAT_CMPD_ID> (2,969)
WAY-334198

>  <CNC_ID> (2,969)
359332731

>  <transfer_container_id> (2,969)
PTN000000067

>  <COMPOUND_NUMBER> (2,969)
WAY-334198

>  <LOCATION_CODE> (2,969)
PTNCS

>  <AMOUNT_CURRENT> (2,969)
32.5

$$$$
WAY-334436
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -3.1333    3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7 15  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 10  2  0  0  0  0
 12  7  2  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  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 18  1  0  0  0  0
 20 16  1  0  0  0  0
 21 22  2  0  0  0  0
 22 10  1  0  0  0  0
 23 21  1  0  0  0  0
 24 19  1  0  0  0  0
  3  5  1  0  0  0  0
 17 19  2  0  0  0  0
 23 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,970)
2973

>  <Formula> (2,970)
C17H14ClN3OS2

>  <MolWeight> (2,970)
375.89556

>  <PCAT_CMPD_ID> (2,970)
WAY-334436

>  <CNC_ID> (2,970)
359332969

>  <transfer_container_id> (2,970)
PTN000000067

>  <COMPOUND_NUMBER> (2,970)
WAY-334436

>  <LOCATION_CODE> (2,970)
PTNCS

>  <AMOUNT_CURRENT> (2,970)
32.5

$$$$
WAY-334618
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
 12  9  2  0  0  0  0
 13 15  1  0  0  0  0
 14  9  1  0  0  0  0
 15 20  1  0  0  0  0
 16 13  1  0  0  0  0
 17  4  2  0  0  0  0
 18 14  1  0  0  0  0
 19  6  2  0  0  0  0
 20 18  1  0  0  0  0
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  6  5  1  0  0  0  0
 19 24  1  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (2,971)
2974

>  <Formula> (2,971)
C19H18ClN3O3

>  <MolWeight> (2,971)
371.81752

>  <PCAT_CMPD_ID> (2,971)
WAY-334618

>  <CNC_ID> (2,971)
359333149

>  <transfer_container_id> (2,971)
PTN000000067

>  <COMPOUND_NUMBER> (2,971)
WAY-334618

>  <LOCATION_CODE> (2,971)
PTNCS

>  <AMOUNT_CURRENT> (2,971)
32.5

$$$$
WAY-334714
csChFnd80/10101909502D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11 16  1  0  0  0  0
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 18  6  2  0  0  0  0
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 20  8  2  0  0  0  0
 21  9  1  0  0  0  0
 22 17  1  0  0  0  0
 23 24  2  0  0  0  0
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 28 19  2  0  0  0  0
 29 20  1  0  0  0  0
 30 28  1  0  0  0  0
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 21 30  2  0  0  0  0
 27 29  2  0  0  0  0
 25 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,972)
2975

>  <Formula> (2,972)
C23H18N4O2S

>  <MolWeight> (2,972)
414.47962

>  <PCAT_CMPD_ID> (2,972)
WAY-334714

>  <CNC_ID> (2,972)
359333244

>  <transfer_container_id> (2,972)
PTN000000067

>  <COMPOUND_NUMBER> (2,972)
WAY-334714

>  <LOCATION_CODE> (2,972)
PTNCS

>  <AMOUNT_CURRENT> (2,972)
32.5

$$$$
WAY-334721
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
    2.0875    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2,973)
2976

>  <Formula> (2,973)
C15H11N3S

>  <MolWeight> (2,973)
265.33294

>  <PCAT_CMPD_ID> (2,973)
WAY-334721

>  <CNC_ID> (2,973)
359333251

>  <transfer_container_id> (2,973)
PTN000000067

>  <COMPOUND_NUMBER> (2,973)
WAY-334721

>  <LOCATION_CODE> (2,973)
PTNCS

>  <AMOUNT_CURRENT> (2,973)
32.5

$$$$
WAY-625523
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,974)
2977

>  <Formula> (2,974)
C26H25N3O3S2

>  <MolWeight> (2,974)
491.625

>  <PCAT_CMPD_ID> (2,974)
WAY-625523

>  <CNC_ID> (2,974)
359334332

>  <transfer_container_id> (2,974)
PTN000000067

>  <COMPOUND_NUMBER> (2,974)
WAY-625523

>  <LOCATION_CODE> (2,974)
PTNCS

>  <AMOUNT_CURRENT> (2,974)
32.2

$$$$
WAY-626291
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,975)
2978

>  <Formula> (2,975)
C18H20N2O5S2

>  <MolWeight> (2,975)
408.4918

>  <PCAT_CMPD_ID> (2,975)
WAY-626291

>  <CNC_ID> (2,975)
359335099

>  <transfer_container_id> (2,975)
PTN000000067

>  <COMPOUND_NUMBER> (2,975)
WAY-626291

>  <LOCATION_CODE> (2,975)
PTNCS

>  <AMOUNT_CURRENT> (2,975)
32.3

$$$$
WAY-627669
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,976)
2979

>  <Formula> (2,976)
C16H22BrN3O4S

>  <MolWeight> (2,976)
432.33258

>  <PCAT_CMPD_ID> (2,976)
WAY-627669

>  <CNC_ID> (2,976)
359336473

>  <transfer_container_id> (2,976)
PTN000000067

>  <COMPOUND_NUMBER> (2,976)
WAY-627669

>  <LOCATION_CODE> (2,976)
PTNCS

>  <AMOUNT_CURRENT> (2,976)
33

$$$$
WAY-627754
csChFnd80/10101909502D

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 17  6  1  0  0  0  0
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M  END
>  <Mol_ID> (2,977)
2980

>  <Formula> (2,977)
C19H14N2O4

>  <MolWeight> (2,977)
334.32546

>  <PCAT_CMPD_ID> (2,977)
WAY-627754

>  <CNC_ID> (2,977)
359336559

>  <transfer_container_id> (2,977)
PTN000000067

>  <COMPOUND_NUMBER> (2,977)
WAY-627754

>  <LOCATION_CODE> (2,977)
PTNCS

>  <AMOUNT_CURRENT> (2,977)
32.8

$$$$
WAY-627238
csChFnd80/10101909502D

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 13  6  1  0  0  0  0
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 15  2  2  0  0  0  0
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 18 14  1  0  0  0  0
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M  END
>  <Mol_ID> (2,978)
2981

>  <Formula> (2,978)
C18H17N3O3S

>  <MolWeight> (2,978)
355.41088

>  <PCAT_CMPD_ID> (2,978)
WAY-627238

>  <CNC_ID> (2,978)
359336042

>  <transfer_container_id> (2,978)
PTN000000067

>  <COMPOUND_NUMBER> (2,978)
WAY-627238

>  <LOCATION_CODE> (2,978)
PTNCS

>  <AMOUNT_CURRENT> (2,978)
32

$$$$
WAY-645424
csChFnd80/10101909502D

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 10 11  1  0  0  0  0
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 13  7  1  0  0  0  0
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 16  9  2  0  0  0  0
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 15  6  2  0  0  0  0
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M  END
>  <Mol_ID> (2,979)
2982

>  <Formula> (2,979)
C19H18O5

>  <MolWeight> (2,979)
326.34322

>  <PCAT_CMPD_ID> (2,979)
WAY-645424

>  <CNC_ID> (2,979)
359338096

>  <transfer_container_id> (2,979)
PTN000000067

>  <COMPOUND_NUMBER> (2,979)
WAY-645424

>  <LOCATION_CODE> (2,979)
PTNCS

>  <AMOUNT_CURRENT> (2,979)
32.4

$$$$
WAY-646561
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
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 13  6  1  0  0  0  0
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 17  7  1  0  0  0  0
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 16  5  1  0  0  0  0
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M  END
>  <Mol_ID> (2,980)
2983

>  <Formula> (2,980)
C17H18N2O6S

>  <MolWeight> (2,980)
378.39962

>  <PCAT_CMPD_ID> (2,980)
WAY-646561

>  <CNC_ID> (2,980)
359339234

>  <transfer_container_id> (2,980)
PTN000000067

>  <COMPOUND_NUMBER> (2,980)
WAY-646561

>  <LOCATION_CODE> (2,980)
PTNCS

>  <AMOUNT_CURRENT> (2,980)
32.2

$$$$
WAY-273874
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 18 13  1  0  0  0  0
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M  END
>  <Mol_ID> (2,981)
2984

>  <Formula> (2,981)
C15H16N2O2

>  <MolWeight> (2,981)
256.29974

>  <PCAT_CMPD_ID> (2,981)
WAY-273874

>  <CNC_ID> (2,981)
359341143

>  <transfer_container_id> (2,981)
PTN000000068

>  <COMPOUND_NUMBER> (2,981)
WAY-273874

>  <LOCATION_CODE> (2,981)
PTNCS

>  <AMOUNT_CURRENT> (2,981)
32.5

$$$$
WAY-277816
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11  8  1  0  0  0  0
 12 16  2  0  0  0  0
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M  END
>  <Mol_ID> (2,982)
2985

>  <Formula> (2,982)
C13H12FN3OS2

>  <MolWeight> (2,982)
309.3822832

>  <PCAT_CMPD_ID> (2,982)
WAY-277816

>  <CNC_ID> (2,982)
359342361

>  <transfer_container_id> (2,982)
PTN000000068

>  <COMPOUND_NUMBER> (2,982)
WAY-277816

>  <LOCATION_CODE> (2,982)
PTNCS

>  <AMOUNT_CURRENT> (2,982)
32.5

$$$$
WAY-335294
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8 11  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,983)
2986

>  <Formula> (2,983)
C12H14N2O3

>  <MolWeight> (2,983)
234.25116

>  <PCAT_CMPD_ID> (2,983)
WAY-335294

>  <CNC_ID> (2,983)
359344555

>  <transfer_container_id> (2,983)
PTN000000068

>  <COMPOUND_NUMBER> (2,983)
WAY-335294

>  <LOCATION_CODE> (2,983)
PTNCS

>  <AMOUNT_CURRENT> (2,983)
32.5

$$$$
WAY-335397
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17  4  2  0  0  0  0
 18  5  2  0  0  0  0
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 20 15  1  0  0  0  0
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 26 25  1  0  0  0  0
  4  5  1  0  0  0  0
 13  9  2  0  0  0  0
 22 24  2  0  0  0  0
 21 26  2  0  0  0  0
M  END
>  <Mol_ID> (2,984)
2987

>  <Formula> (2,984)
C20H17N3OS2

>  <MolWeight> (2,984)
379.49848

>  <PCAT_CMPD_ID> (2,984)
WAY-335397

>  <CNC_ID> (2,984)
359344658

>  <transfer_container_id> (2,984)
PTN000000068

>  <COMPOUND_NUMBER> (2,984)
WAY-335397

>  <LOCATION_CODE> (2,984)
PTNCS

>  <AMOUNT_CURRENT> (2,984)
32.5

$$$$
WAY-335501
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
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 16 10  1  0  0  0  0
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  8  4  1  0  0  0  0
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 28 27  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (2,985)
2988

>  <Formula> (2,985)
C21H26N4O3

>  <MolWeight> (2,985)
382.45614

>  <PCAT_CMPD_ID> (2,985)
WAY-335501

>  <CNC_ID> (2,985)
359344761

>  <transfer_container_id> (2,985)
PTN000000068

>  <COMPOUND_NUMBER> (2,985)
WAY-335501

>  <LOCATION_CODE> (2,985)
PTNCS

>  <AMOUNT_CURRENT> (2,985)
32.5

$$$$
WAY-335986
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14 15  2  0  0  0  0
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 26 24  2  0  0  0  0
 10  5  1  0  0  0  0
 26 25  1  0  0  0  0
 22 16  2  0  0  0  0
M  END
>  <Mol_ID> (2,986)
2989

>  <Formula> (2,986)
C20H21N3O3

>  <MolWeight> (2,986)
351.39904

>  <PCAT_CMPD_ID> (2,986)
WAY-335986

>  <CNC_ID> (2,986)
359345245

>  <transfer_container_id> (2,986)
PTN000000068

>  <COMPOUND_NUMBER> (2,986)
WAY-335986

>  <LOCATION_CODE> (2,986)
PTNCS

>  <AMOUNT_CURRENT> (2,986)
32.5

$$$$
WAY-336595
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,987)
2990

>  <Formula> (2,987)
C20H26N2O3S

>  <MolWeight> (2,987)
374.49704

>  <PCAT_CMPD_ID> (2,987)
WAY-336595

>  <CNC_ID> (2,987)
359345852

>  <transfer_container_id> (2,987)
PTN000000068

>  <COMPOUND_NUMBER> (2,987)
WAY-336595

>  <LOCATION_CODE> (2,987)
PTNCS

>  <AMOUNT_CURRENT> (2,987)
32.5

$$$$
WAY-336782
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,988)
2991

>  <Formula> (2,988)
C26H34N2O4

>  <MolWeight> (2,988)
438.55916

>  <PCAT_CMPD_ID> (2,988)
WAY-336782

>  <CNC_ID> (2,988)
359346038

>  <transfer_container_id> (2,988)
PTN000000068

>  <COMPOUND_NUMBER> (2,988)
WAY-336782

>  <LOCATION_CODE> (2,988)
PTNCS

>  <AMOUNT_CURRENT> (2,988)
32.5

$$$$
WAY-337276
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,989)
2992

>  <Formula> (2,989)
C10H15NO3

>  <MolWeight> (2,989)
197.231

>  <PCAT_CMPD_ID> (2,989)
WAY-337276

>  <CNC_ID> (2,989)
359346528

>  <transfer_container_id> (2,989)
PTN000000068

>  <COMPOUND_NUMBER> (2,989)
WAY-337276

>  <LOCATION_CODE> (2,989)
PTNCS

>  <AMOUNT_CURRENT> (2,989)
32.5

$$$$
WAY-337499
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (2,990)
2993

>  <Formula> (2,990)
C18H18N2O3

>  <MolWeight> (2,990)
310.34712

>  <PCAT_CMPD_ID> (2,990)
WAY-337499

>  <CNC_ID> (2,990)
359346751

>  <transfer_container_id> (2,990)
PTN000000068

>  <COMPOUND_NUMBER> (2,990)
WAY-337499

>  <LOCATION_CODE> (2,990)
PTNCS

>  <AMOUNT_CURRENT> (2,990)
32.5

$$$$
WAY-611535
csChFnd80/10101909502D

 27 31  0  0  0  0  0  0  0  0999 V2000
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 24 20  2  0  0  0  0
 13 17  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (2,991)
2994

>  <Formula> (2,991)
C23H15N3O

>  <MolWeight> (2,991)
349.3847

>  <PCAT_CMPD_ID> (2,991)
WAY-611535

>  <CNC_ID> (2,991)
359347436

>  <transfer_container_id> (2,991)
PTN000000068

>  <COMPOUND_NUMBER> (2,991)
WAY-611535

>  <LOCATION_CODE> (2,991)
PTNCS

>  <AMOUNT_CURRENT> (2,991)
32.9

$$$$
WAY-612305
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,992)
2995

>  <Formula> (2,992)
C20H19NO4

>  <MolWeight> (2,992)
337.36916

>  <PCAT_CMPD_ID> (2,992)
WAY-612305

>  <CNC_ID> (2,992)
359348207

>  <transfer_container_id> (2,992)
PTN000000068

>  <COMPOUND_NUMBER> (2,992)
WAY-612305

>  <LOCATION_CODE> (2,992)
PTNCS

>  <AMOUNT_CURRENT> (2,992)
32.9

$$$$
WAY-612318
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,993)
2996

>  <Formula> (2,993)
C15H20F2N2O2

>  <MolWeight> (2,993)
298.3283064

>  <PCAT_CMPD_ID> (2,993)
WAY-612318

>  <CNC_ID> (2,993)
359348220

>  <transfer_container_id> (2,993)
PTN000000068

>  <COMPOUND_NUMBER> (2,993)
WAY-612318

>  <LOCATION_CODE> (2,993)
PTNCS

>  <AMOUNT_CURRENT> (2,993)
32.3

$$$$
WAY-613062
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (2,994)
2997

>  <Formula> (2,994)
C13H9Cl2N3OS

>  <MolWeight> (2,994)
326.20106

>  <PCAT_CMPD_ID> (2,994)
WAY-613062

>  <CNC_ID> (2,994)
359348963

>  <transfer_container_id> (2,994)
PTN000000068

>  <COMPOUND_NUMBER> (2,994)
WAY-613062

>  <LOCATION_CODE> (2,994)
PTNCS

>  <AMOUNT_CURRENT> (2,994)
32.5

$$$$
WAY-628630
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2,995)
2998

>  <Formula> (2,995)
C17H19N3O

>  <MolWeight> (2,995)
281.35226

>  <PCAT_CMPD_ID> (2,995)
WAY-628630

>  <CNC_ID> (2,995)
359349781

>  <transfer_container_id> (2,995)
PTN000000068

>  <COMPOUND_NUMBER> (2,995)
WAY-628630

>  <LOCATION_CODE> (2,995)
PTNCS

>  <AMOUNT_CURRENT> (2,995)
32.6

$$$$
WAY-629102
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (2,996)
2999

>  <Formula> (2,996)
C20H32N2O2

>  <MolWeight> (2,996)
332.48028

>  <PCAT_CMPD_ID> (2,996)
WAY-629102

>  <CNC_ID> (2,996)
359350252

>  <transfer_container_id> (2,996)
PTN000000068

>  <COMPOUND_NUMBER> (2,996)
WAY-629102

>  <LOCATION_CODE> (2,996)
PTNCS

>  <AMOUNT_CURRENT> (2,996)
32.5

$$$$
WAY-629109
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 15 12  1  0  0  0  0
 25 17  2  0  0  0  0
M  END
>  <Mol_ID> (2,997)
3000

>  <Formula> (2,997)
C25H30N4

>  <MolWeight> (2,997)
386.5325

>  <PCAT_CMPD_ID> (2,997)
WAY-629109

>  <CNC_ID> (2,997)
359350259

>  <transfer_container_id> (2,997)
PTN000000068

>  <COMPOUND_NUMBER> (2,997)
WAY-629109

>  <LOCATION_CODE> (2,997)
PTNCS

>  <AMOUNT_CURRENT> (2,997)
33

$$$$
WAY-629156
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  9  5  1  0  0  0  0
M  END
>  <Mol_ID> (2,998)
3001

>  <Formula> (2,998)
C16H23NO2

>  <MolWeight> (2,998)
261.35932

>  <PCAT_CMPD_ID> (2,998)
WAY-629156

>  <CNC_ID> (2,998)
359350306

>  <transfer_container_id> (2,998)
PTN000000068

>  <COMPOUND_NUMBER> (2,998)
WAY-629156

>  <LOCATION_CODE> (2,998)
PTNCS

>  <AMOUNT_CURRENT> (2,998)
32.3

$$$$
WAY-648752
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 18 15  2  0  0  0  0
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M  END
>  <Mol_ID> (2,999)
3002

>  <Formula> (2,999)
C15H17NO2S

>  <MolWeight> (2,999)
275.36598

>  <PCAT_CMPD_ID> (2,999)
WAY-648752

>  <CNC_ID> (2,999)
359353130

>  <transfer_container_id> (2,999)
PTN000000068

>  <COMPOUND_NUMBER> (2,999)
WAY-648752

>  <LOCATION_CODE> (2,999)
PTNCS

>  <AMOUNT_CURRENT> (2,999)
32.7

$$$$
WAY-270592
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 22 20  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,000)
3003

>  <Formula> (3,000)
C17H14N2O2S

>  <MolWeight> (3,000)
310.37026

>  <PCAT_CMPD_ID> (3,000)
WAY-270592

>  <CNC_ID> (3,000)
359369421

>  <transfer_container_id> (3,000)
PTN000000070

>  <COMPOUND_NUMBER> (3,000)
WAY-270592

>  <LOCATION_CODE> (3,000)
PTNCS

>  <AMOUNT_CURRENT> (3,000)
32.5

$$$$
WAY-615031
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  2  1  0  0  0  0
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 13 18  2  0  0  0  0
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 13 17  1  0  0  0  0
 24 23  1  0  0  0  0
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M  END
>  <Mol_ID> (3,001)
3004

>  <Formula> (3,001)
C21H14FNO2S2

>  <MolWeight> (3,001)
395.4697632

>  <PCAT_CMPD_ID> (3,001)
WAY-615031

>  <CNC_ID> (3,001)
359375754

>  <transfer_container_id> (3,001)
PTN000000070

>  <COMPOUND_NUMBER> (3,001)
WAY-615031

>  <LOCATION_CODE> (3,001)
PTNCS

>  <AMOUNT_CURRENT> (3,001)
32.6

$$$$
WAY-653038
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,002)
3005

>  <Formula> (3,002)
C13H14N2O2S

>  <MolWeight> (3,002)
262.32746

>  <PCAT_CMPD_ID> (3,002)
WAY-653038

>  <CNC_ID> (3,002)
359379918

>  <transfer_container_id> (3,002)
PTN000000070

>  <COMPOUND_NUMBER> (3,002)
WAY-653038

>  <LOCATION_CODE> (3,002)
PTNCS

>  <AMOUNT_CURRENT> (3,002)
32.3

$$$$
WAY-320627
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 18  6  1  0  0  0  0
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 20  7  1  0  0  0  0
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 29 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,003)
3006

>  <Formula> (3,003)
C21H26N2O5S2

>  <MolWeight> (3,003)
450.57154

>  <PCAT_CMPD_ID> (3,003)
WAY-320627

>  <CNC_ID> (3,003)
359384946

>  <transfer_container_id> (3,003)
PTN000000071

>  <COMPOUND_NUMBER> (3,003)
WAY-320627

>  <LOCATION_CODE> (3,003)
PTNCS

>  <AMOUNT_CURRENT> (3,003)
32.5

$$$$
WAY-634713
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,004)
3007

>  <Formula> (3,004)
C11H12N4O3

>  <MolWeight> (3,004)
248.23798

>  <PCAT_CMPD_ID> (3,004)
WAY-634713

>  <CNC_ID> (3,004)
359389815

>  <transfer_container_id> (3,004)
PTN000000071

>  <COMPOUND_NUMBER> (3,004)
WAY-634713

>  <LOCATION_CODE> (3,004)
PTNCS

>  <AMOUNT_CURRENT> (3,004)
32.3

$$$$
SD-53332
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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 18 20  1  0  0  0  0
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 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,005)
3008

>  <Formula> (3,005)
C13H11Cl2NO4

>  <MolWeight> (3,005)
316.13674

>  <PCAT_CMPD_ID> (3,005)
SD-53332

>  <CNC_ID> (3,005)
359420062

>  <transfer_container_id> (3,005)
PTN000000074

>  <COMPOUND_NUMBER> (3,005)
SD-53332

>  <LOCATION_CODE> (3,005)
PTNCS

>  <AMOUNT_CURRENT> (3,005)
32.5

$$$$
WAY-325607
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
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 18 20  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,006)
3009

>  <Formula> (3,006)
C16H16N4O2

>  <MolWeight> (3,006)
296.32384

>  <PCAT_CMPD_ID> (3,006)
WAY-325607

>  <CNC_ID> (3,006)
359422587

>  <transfer_container_id> (3,006)
PTN000000074

>  <COMPOUND_NUMBER> (3,006)
WAY-325607

>  <LOCATION_CODE> (3,006)
PTNCS

>  <AMOUNT_CURRENT> (3,006)
32.5

$$$$
WAY-325736
csChFnd80/10101909502D

 28 32  0  0  0  0  0  0  0  0999 V2000
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 11 13  2  0  0  0  0
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M  END
>  <Mol_ID> (3,007)
3010

>  <Formula> (3,007)
C20H12FN3O3S

>  <MolWeight> (3,007)
393.3909832

>  <PCAT_CMPD_ID> (3,007)
WAY-325736

>  <CNC_ID> (3,007)
359422714

>  <transfer_container_id> (3,007)
PTN000000074

>  <COMPOUND_NUMBER> (3,007)
WAY-325736

>  <LOCATION_CODE> (3,007)
PTNCS

>  <AMOUNT_CURRENT> (3,007)
32.5

$$$$
WAY-327514
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  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  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 12  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
  5  3  2  0  0  0  0
  7  9  2  0  0  0  0
 22 20  2  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,008)
3011

>  <Formula> (3,008)
C18H14N4

>  <MolWeight> (3,008)
286.33056

>  <PCAT_CMPD_ID> (3,008)
WAY-327514

>  <CNC_ID> (3,008)
359424475

>  <transfer_container_id> (3,008)
PTN000000074

>  <COMPOUND_NUMBER> (3,008)
WAY-327514

>  <LOCATION_CODE> (3,008)
PTNCS

>  <AMOUNT_CURRENT> (3,008)
32.5

$$$$
WAY-327533
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.6792   14.0500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9292   14.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  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  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11  3  2  0  0  0  0
 12 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18  1  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 12  2  0  0  0  0
 23 16  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
  2  5  2  0  0  0  0
  9  8  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,009)
3012

>  <Formula> (3,009)
C17H16ClN3O3S

>  <MolWeight> (3,009)
377.84524

>  <PCAT_CMPD_ID> (3,009)
WAY-327533

>  <CNC_ID> (3,009)
359424494

>  <transfer_container_id> (3,009)
PTN000000074

>  <COMPOUND_NUMBER> (3,009)
WAY-327533

>  <LOCATION_CODE> (3,009)
PTNCS

>  <AMOUNT_CURRENT> (3,009)
32.5

$$$$
WAY-621257
csChFnd80/10101909502D

 35 41  0  0  0  0  0  0  0  0999 V2000
   -0.2417   -1.0625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
 11 14  2  0  0  0  0
 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
 14  4  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  2  0  0  0  0
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 18 13  1  0  0  0  0
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 27 17  1  0  0  0  0
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 30 27  2  0  0  0  0
 31 28  2  0  0  0  0
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 33 26  1  0  0  0  0
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 35 32  2  0  0  0  0
 15 16  1  0  0  0  0
 11 10  1  0  0  0  0
  6  3  2  0  0  0  0
  7  9  1  0  0  0  0
 21 24  2  0  0  0  0
 31 35  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
>  <Mol_ID> (3,010)
3013

>  <Formula> (3,010)
C25H17FN8O

>  <MolWeight> (3,010)
464.4538832

>  <PCAT_CMPD_ID> (3,010)
WAY-621257

>  <CNC_ID> (3,010)
359428531

>  <transfer_container_id> (3,010)
PTN000000074

>  <COMPOUND_NUMBER> (3,010)
WAY-621257

>  <LOCATION_CODE> (3,010)
PTNCS

>  <AMOUNT_CURRENT> (3,010)
32.3

$$$$
WAY-621286-A
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
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 25 22  2  0  0  0  0
 13 14  2  0  0  0  0
 23 25  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,011)
3014

>  <Formula> (3,011)
C20H17NO3S

>  <MolWeight> (3,011)
351.41888

>  <PCAT_CMPD_ID> (3,011)
WAY-621286-A

>  <CNC_ID> (3,011)
359428559

>  <transfer_container_id> (3,011)
PTN000000074

>  <COMPOUND_NUMBER> (3,011)
WAY-621286-A

>  <LOCATION_CODE> (3,011)
PTNCS

>  <AMOUNT_CURRENT> (3,011)
32.6

$$$$
WAY-641016
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (3,012)
3015

>  <Formula> (3,012)
C17H17NO2

>  <MolWeight> (3,012)
267.32238

>  <PCAT_CMPD_ID> (3,012)
WAY-641016

>  <CNC_ID> (3,012)
359431067

>  <transfer_container_id> (3,012)
PTN000000074

>  <COMPOUND_NUMBER> (3,012)
WAY-641016

>  <LOCATION_CODE> (3,012)
PTNCS

>  <AMOUNT_CURRENT> (3,012)
32.8

$$$$
WAY-333103
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 13  4  2  0  0  0  0
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 22 18  2  0  0  0  0
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 26  6  1  0  0  0  0
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 25 19  2  0  0  0  0
 17 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,013)
3016

>  <Formula> (3,013)
C21H15FN2O3S

>  <MolWeight> (3,013)
394.4188032

>  <PCAT_CMPD_ID> (3,013)
WAY-333103

>  <CNC_ID> (3,013)
359331638

>  <transfer_container_id> (3,013)
PTN000000067

>  <COMPOUND_NUMBER> (3,013)
WAY-333103

>  <LOCATION_CODE> (3,013)
PTNCS

>  <AMOUNT_CURRENT> (3,013)
32.5

$$$$
WAY-332081
csChFnd80/10101909502D

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 11 18  1  0  0  0  0
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 15  7  1  0  0  0  0
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 17 14  1  0  0  0  0
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 17 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,014)
3017

>  <Formula> (3,014)
C18H23N3O3S

>  <MolWeight> (3,014)
361.45852

>  <PCAT_CMPD_ID> (3,014)
WAY-332081

>  <CNC_ID> (3,014)
359330620

>  <transfer_container_id> (3,014)
PTN000000067

>  <COMPOUND_NUMBER> (3,014)
WAY-332081

>  <LOCATION_CODE> (3,014)
PTNCS

>  <AMOUNT_CURRENT> (3,014)
32.5

$$$$
WAY-311274
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 14 16  1  0  0  0  0
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M  END
>  <Mol_ID> (3,015)
3018

>  <Formula> (3,015)
C17H15ClN2O2S

>  <MolWeight> (3,015)
346.8312

>  <PCAT_CMPD_ID> (3,015)
WAY-311274

>  <CNC_ID> (3,015)
359315015

>  <transfer_container_id> (3,015)
PTN000000065

>  <COMPOUND_NUMBER> (3,015)
WAY-311274

>  <LOCATION_CODE> (3,015)
PTNCS

>  <AMOUNT_CURRENT> (3,015)
33.2

$$$$
WAY-345893
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,016)
3019

>  <Formula> (3,016)
C16H22N2

>  <MolWeight> (3,016)
242.35928

>  <PCAT_CMPD_ID> (3,016)
WAY-345893

>  <CNC_ID> (3,016)
359320893

>  <transfer_container_id> (3,016)
PTN000000065

>  <COMPOUND_NUMBER> (3,016)
WAY-345893

>  <LOCATION_CODE> (3,016)
PTNCS

>  <AMOUNT_CURRENT> (3,016)
32.5

$$$$
WAY-344112
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,017)
3020

>  <Formula> (3,017)
C16H13BrFN5S

>  <MolWeight> (3,017)
406.2753232

>  <PCAT_CMPD_ID> (3,017)
WAY-344112

>  <CNC_ID> (3,017)
359319448

>  <transfer_container_id> (3,017)
PTN000000065

>  <COMPOUND_NUMBER> (3,017)
WAY-344112

>  <LOCATION_CODE> (3,017)
PTNCS

>  <AMOUNT_CURRENT> (3,017)
32.4

$$$$
CL-425618
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,018)
3021

>  <Formula> (3,018)
C12H15NO4

>  <MolWeight> (3,018)
237.2518

>  <PCAT_CMPD_ID> (3,018)
CL-425618

>  <CNC_ID> (3,018)
359313631

>  <transfer_container_id> (3,018)
PTN000000065

>  <COMPOUND_NUMBER> (3,018)
CL-425618

>  <LOCATION_CODE> (3,018)
PTNCS

>  <AMOUNT_CURRENT> (3,018)
33

$$$$
WAY-303121-A
csChFnd80/10101909502D

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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,019)
3022

>  <Formula> (3,019)
C18H34N2O

>  <MolWeight> (3,019)
294.47536

>  <PCAT_CMPD_ID> (3,019)
WAY-303121-A

>  <CNC_ID> (3,019)
359384105

>  <transfer_container_id> (3,019)
PTN000000071

>  <COMPOUND_NUMBER> (3,019)
WAY-303121-A

>  <LOCATION_CODE> (3,019)
PTNCS

>  <AMOUNT_CURRENT> (3,019)
33.4

$$$$
WAY-383271
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,020)
3023

>  <Formula> (3,020)
C25H22N4OS

>  <MolWeight> (3,020)
426.53338

>  <PCAT_CMPD_ID> (3,020)
WAY-383271

>  <CNC_ID> (3,020)
359385439

>  <transfer_container_id> (3,020)
PTN000000071

>  <COMPOUND_NUMBER> (3,020)
WAY-383271

>  <LOCATION_CODE> (3,020)
PTNCS

>  <AMOUNT_CURRENT> (3,020)
32.1

$$$$
WAY-383160
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,021)
3024

>  <Formula> (3,021)
C16H14O4

>  <MolWeight> (3,021)
270.27996

>  <PCAT_CMPD_ID> (3,021)
WAY-383160

>  <CNC_ID> (3,021)
359385350

>  <transfer_container_id> (3,021)
PTN000000071

>  <COMPOUND_NUMBER> (3,021)
WAY-383160

>  <LOCATION_CODE> (3,021)
PTNCS

>  <AMOUNT_CURRENT> (3,021)
32.5

$$$$
WAY-383231
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (3,022)
3025

>  <Formula> (3,022)
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>  <MolWeight> (3,022)
355.21034

>  <PCAT_CMPD_ID> (3,022)
WAY-383231

>  <CNC_ID> (3,022)
359385418

>  <transfer_container_id> (3,022)
PTN000000071

>  <COMPOUND_NUMBER> (3,022)
WAY-383231

>  <LOCATION_CODE> (3,022)
PTNCS

>  <AMOUNT_CURRENT> (3,022)
32.2

$$$$
WAY-391168
csChFnd80/10101909502D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11 20  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
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 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17  7  2  0  0  0  0
 18  9  1  0  0  0  0
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 21  2  1  0  0  0  0
 22  8  1  0  0  0  0
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M  END
>  <Mol_ID> (3,023)
3026

>  <Formula> (3,023)
C18H18Cl2N2O4

>  <MolWeight> (3,023)
397.25252

>  <PCAT_CMPD_ID> (3,023)
WAY-391168

>  <CNC_ID> (3,023)
359386518

>  <transfer_container_id> (3,023)
PTN000000071

>  <COMPOUND_NUMBER> (3,023)
WAY-391168

>  <LOCATION_CODE> (3,023)
PTNCS

>  <AMOUNT_CURRENT> (3,023)
32.2

$$$$
WAY-391337
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  2  2  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
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 15  2  1  0  0  0  0
 16 15  1  0  0  0  0
 17 20  2  0  0  0  0
 18 17  1  0  0  0  0
 19 21  2  0  0  0  0
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 22 16  2  0  0  0  0
 23  4  1  0  0  0  0
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 13  8  1  0  0  0  0
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 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,024)
3027

>  <Formula> (3,024)
C20H26ClNO

>  <MolWeight> (3,024)
331.87954

>  <PCAT_CMPD_ID> (3,024)
WAY-391337

>  <CNC_ID> (3,024)
359386673

>  <transfer_container_id> (3,024)
PTN000000071

>  <COMPOUND_NUMBER> (3,024)
WAY-391337

>  <LOCATION_CODE> (3,024)
PTNCS

>  <AMOUNT_CURRENT> (3,024)
32.7

$$$$
WAY-391435
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 17  4  1  0  0  0  0
 18 10  1  0  0  0  0
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  3  8  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,025)
3028

>  <Formula> (3,025)
C17H16FNO

>  <MolWeight> (3,025)
269.3134432

>  <PCAT_CMPD_ID> (3,025)
WAY-391435

>  <CNC_ID> (3,025)
359386760

>  <transfer_container_id> (3,025)
PTN000000071

>  <COMPOUND_NUMBER> (3,025)
WAY-391435

>  <LOCATION_CODE> (3,025)
PTNCS

>  <AMOUNT_CURRENT> (3,025)
32.8

$$$$
WAY-391495
csChFnd80/10101909502D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 20  4  1  0  0  0  0
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  5  4  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,026)
3029

>  <Formula> (3,026)
C17H25N3O6

>  <MolWeight> (3,026)
367.3969

>  <PCAT_CMPD_ID> (3,026)
WAY-391495

>  <CNC_ID> (3,026)
359386818

>  <transfer_container_id> (3,026)
PTN000000071

>  <COMPOUND_NUMBER> (3,026)
WAY-391495

>  <LOCATION_CODE> (3,026)
PTNCS

>  <AMOUNT_CURRENT> (3,026)
33

$$$$
WL-3616
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,027)
3030

>  <Formula> (3,027)
C13H17ClN2O

>  <MolWeight> (3,027)
252.73988

>  <PCAT_CMPD_ID> (3,027)
WL-3616

>  <CNC_ID> (3,027)
359394034

>  <transfer_container_id> (3,027)
PTN000000071

>  <COMPOUND_NUMBER> (3,027)
WL-3616

>  <LOCATION_CODE> (3,027)
PTNCS

>  <AMOUNT_CURRENT> (3,027)
33.1

$$$$
WAY-118393
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,028)
3031

>  <Formula> (3,028)
C23H17NO3

>  <MolWeight> (3,028)
355.38598

>  <PCAT_CMPD_ID> (3,028)
WAY-118393

>  <CNC_ID> (3,028)
359394235

>  <transfer_container_id> (3,028)
PTN000000072

>  <COMPOUND_NUMBER> (3,028)
WAY-118393

>  <LOCATION_CODE> (3,028)
PTNCS

>  <AMOUNT_CURRENT> (3,028)
33.1

$$$$
WAY-226676
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,029)
3032

>  <Formula> (3,029)
C18H15BrN2O5

>  <MolWeight> (3,029)
419.2261

>  <PCAT_CMPD_ID> (3,029)
WAY-226676

>  <CNC_ID> (3,029)
359394353

>  <transfer_container_id> (3,029)
PTN000000072

>  <COMPOUND_NUMBER> (3,029)
WAY-226676

>  <LOCATION_CODE> (3,029)
PTNCS

>  <AMOUNT_CURRENT> (3,029)
33

$$$$
WAY-304306
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,030)
3033

>  <Formula> (3,030)
C10H9ClN2O

>  <MolWeight> (3,030)
208.64426

>  <PCAT_CMPD_ID> (3,030)
WAY-304306

>  <CNC_ID> (3,030)
359395483

>  <transfer_container_id> (3,030)
PTN000000072

>  <COMPOUND_NUMBER> (3,030)
WAY-304306

>  <LOCATION_CODE> (3,030)
PTNCS

>  <AMOUNT_CURRENT> (3,030)
33.2

$$$$
WAY-304312
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,031)
3034

>  <Formula> (3,031)
C11H12N2O3

>  <MolWeight> (3,031)
220.22458

>  <PCAT_CMPD_ID> (3,031)
WAY-304312

>  <CNC_ID> (3,031)
359395489

>  <transfer_container_id> (3,031)
PTN000000072

>  <COMPOUND_NUMBER> (3,031)
WAY-304312

>  <LOCATION_CODE> (3,031)
PTNCS

>  <AMOUNT_CURRENT> (3,031)
33.5

$$$$
WAY-304373
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,032)
3035

>  <Formula> (3,032)
C22H14Br2N2O2

>  <MolWeight> (3,032)
498.16676

>  <PCAT_CMPD_ID> (3,032)
WAY-304373

>  <CNC_ID> (3,032)
359396366

>  <transfer_container_id> (3,032)
PTN000000072

>  <COMPOUND_NUMBER> (3,032)
WAY-304373

>  <LOCATION_CODE> (3,032)
PTNCS

>  <AMOUNT_CURRENT> (3,032)
33.2

$$$$
WAY-304387
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,033)
3036

>  <Formula> (3,033)
C22H19N3O3

>  <MolWeight> (3,033)
373.40456

>  <PCAT_CMPD_ID> (3,033)
WAY-304387

>  <CNC_ID> (3,033)
359395567

>  <transfer_container_id> (3,033)
PTN000000072

>  <COMPOUND_NUMBER> (3,033)
WAY-304387

>  <LOCATION_CODE> (3,033)
PTNCS

>  <AMOUNT_CURRENT> (3,033)
33.3

$$$$
WAY-304454
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,034)
3037

>  <Formula> (3,034)
C16H23N3O

>  <MolWeight> (3,034)
273.37332

>  <PCAT_CMPD_ID> (3,034)
WAY-304454

>  <CNC_ID> (3,034)
359395634

>  <transfer_container_id> (3,034)
PTN000000072

>  <COMPOUND_NUMBER> (3,034)
WAY-304454

>  <LOCATION_CODE> (3,034)
PTNCS

>  <AMOUNT_CURRENT> (3,034)
33.7

$$$$
WAY-304690
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,035)
3038

>  <Formula> (3,035)
C12H14N2O3

>  <MolWeight> (3,035)
234.25116

>  <PCAT_CMPD_ID> (3,035)
WAY-304690

>  <CNC_ID> (3,035)
359395870

>  <transfer_container_id> (3,035)
PTN000000072

>  <COMPOUND_NUMBER> (3,035)
WAY-304690

>  <LOCATION_CODE> (3,035)
PTNCS

>  <AMOUNT_CURRENT> (3,035)
33.4

$$$$
WAY-305225
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,036)
3039

>  <Formula> (3,036)
C14H20N2O4S

>  <MolWeight> (3,036)
312.3846

>  <PCAT_CMPD_ID> (3,036)
WAY-305225

>  <CNC_ID> (3,036)
359396401

>  <transfer_container_id> (3,036)
PTN000000072

>  <COMPOUND_NUMBER> (3,036)
WAY-305225

>  <LOCATION_CODE> (3,036)
PTNCS

>  <AMOUNT_CURRENT> (3,036)
33.5

$$$$
WAY-305540
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,037)
3040

>  <Formula> (3,037)
C9H9N3S2

>  <MolWeight> (3,037)
223.31786

>  <PCAT_CMPD_ID> (3,037)
WAY-305540

>  <CNC_ID> (3,037)
359396716

>  <transfer_container_id> (3,037)
PTN000000072

>  <COMPOUND_NUMBER> (3,037)
WAY-305540

>  <LOCATION_CODE> (3,037)
PTNCS

>  <AMOUNT_CURRENT> (3,037)
33.3

$$$$
WAY-321648
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (3,038)
3041

>  <Formula> (3,038)
C21H21ClN2O3

>  <MolWeight> (3,038)
384.85604

>  <PCAT_CMPD_ID> (3,038)
WAY-321648

>  <CNC_ID> (3,038)
359397768

>  <transfer_container_id> (3,038)
PTN000000072

>  <COMPOUND_NUMBER> (3,038)
WAY-321648

>  <LOCATION_CODE> (3,038)
PTNCS

>  <AMOUNT_CURRENT> (3,038)
32.7

$$$$
WAY-383815
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,039)
3042

>  <Formula> (3,039)
C17H15N3OS

>  <MolWeight> (3,039)
309.3855

>  <PCAT_CMPD_ID> (3,039)
WAY-383815

>  <CNC_ID> (3,039)
359399868

>  <transfer_container_id> (3,039)
PTN000000072

>  <COMPOUND_NUMBER> (3,039)
WAY-383815

>  <LOCATION_CODE> (3,039)
PTNCS

>  <AMOUNT_CURRENT> (3,039)
32.1

$$$$
WAY-383448
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,040)
3043

>  <Formula> (3,040)
C18H21NOS

>  <MolWeight> (3,040)
299.43044

>  <PCAT_CMPD_ID> (3,040)
WAY-383448

>  <CNC_ID> (3,040)
359399511

>  <transfer_container_id> (3,040)
PTN000000072

>  <COMPOUND_NUMBER> (3,040)
WAY-383448

>  <LOCATION_CODE> (3,040)
PTNCS

>  <AMOUNT_CURRENT> (3,040)
32.9

$$$$
WAY-383471
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
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 21  4  2  0  0  0  0
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M  END
>  <Mol_ID> (3,041)
3044

>  <Formula> (3,041)
C18H19ClF2N2O4S2

>  <MolWeight> (3,041)
464.9342664

>  <PCAT_CMPD_ID> (3,041)
WAY-383471

>  <CNC_ID> (3,041)
359399534

>  <transfer_container_id> (3,041)
PTN000000072

>  <COMPOUND_NUMBER> (3,041)
WAY-383471

>  <LOCATION_CODE> (3,041)
PTNCS

>  <AMOUNT_CURRENT> (3,041)
32.2

$$$$
WAY-384013
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,042)
3045

>  <Formula> (3,042)
C14H13NOS

>  <MolWeight> (3,042)
243.32412

>  <PCAT_CMPD_ID> (3,042)
WAY-384013

>  <CNC_ID> (3,042)
359400021

>  <transfer_container_id> (3,042)
PTN000000072

>  <COMPOUND_NUMBER> (3,042)
WAY-384013

>  <LOCATION_CODE> (3,042)
PTNCS

>  <AMOUNT_CURRENT> (3,042)
32.2

$$$$
WAY-392538-A
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,043)
3046

>  <Formula> (3,043)
C15H12N2

>  <MolWeight> (3,043)
220.26918

>  <PCAT_CMPD_ID> (3,043)
WAY-392538-A

>  <CNC_ID> (3,043)
359401387

>  <transfer_container_id> (3,043)
PTN000000072

>  <COMPOUND_NUMBER> (3,043)
WAY-392538-A

>  <LOCATION_CODE> (3,043)
PTNCS

>  <AMOUNT_CURRENT> (3,043)
32.2

$$$$
CL-415585
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,044)
3047

>  <Formula> (3,044)
C13H21NO2

>  <MolWeight> (3,044)
223.31134

>  <PCAT_CMPD_ID> (3,044)
CL-415585

>  <CNC_ID> (3,044)
359407709

>  <transfer_container_id> (3,044)
PTN000000073

>  <COMPOUND_NUMBER> (3,044)
CL-415585

>  <LOCATION_CODE> (3,044)
PTNCS

>  <AMOUNT_CURRENT> (3,044)
33.4

$$$$
WAY-306477
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,045)
3048

>  <Formula> (3,045)
C18H20N2O4

>  <MolWeight> (3,045)
328.3624

>  <PCAT_CMPD_ID> (3,045)
WAY-306477

>  <CNC_ID> (3,045)
359408976

>  <transfer_container_id> (3,045)
PTN000000073

>  <COMPOUND_NUMBER> (3,045)
WAY-306477

>  <LOCATION_CODE> (3,045)
PTNCS

>  <AMOUNT_CURRENT> (3,045)
33.3

$$$$
WAY-385734
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,046)
3049

>  <Formula> (3,046)
C20H14BrN3O4S

>  <MolWeight> (3,046)
472.31186

>  <PCAT_CMPD_ID> (3,046)
WAY-385734

>  <CNC_ID> (3,046)
359412697

>  <transfer_container_id> (3,046)
PTN000000073

>  <COMPOUND_NUMBER> (3,046)
WAY-385734

>  <LOCATION_CODE> (3,046)
PTNCS

>  <AMOUNT_CURRENT> (3,046)
32.7

$$$$
WAY-385856
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,047)
3050

>  <Formula> (3,047)
C18H15NO4S2

>  <MolWeight> (3,047)
373.446

>  <PCAT_CMPD_ID> (3,047)
WAY-385856

>  <CNC_ID> (3,047)
359412817

>  <transfer_container_id> (3,047)
PTN000000073

>  <COMPOUND_NUMBER> (3,047)
WAY-385856

>  <LOCATION_CODE> (3,047)
PTNCS

>  <AMOUNT_CURRENT> (3,047)
29.1

$$$$
WAY-386059
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,048)
3051

>  <Formula> (3,048)
C10H11ClN2S

>  <MolWeight> (3,048)
226.72574

>  <PCAT_CMPD_ID> (3,048)
WAY-386059

>  <CNC_ID> (3,048)
359412577

>  <transfer_container_id> (3,048)
PTN000000073

>  <COMPOUND_NUMBER> (3,048)
WAY-386059

>  <LOCATION_CODE> (3,048)
PTNCS

>  <AMOUNT_CURRENT> (3,048)
32.3

$$$$
WAY-386112
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,049)
3052

>  <Formula> (3,049)
C15H11BrN2O

>  <MolWeight> (3,049)
315.16464

>  <PCAT_CMPD_ID> (3,049)
WAY-386112

>  <CNC_ID> (3,049)
359413060

>  <transfer_container_id> (3,049)
PTN000000073

>  <COMPOUND_NUMBER> (3,049)
WAY-386112

>  <LOCATION_CODE> (3,049)
PTNCS

>  <AMOUNT_CURRENT> (3,049)
32.8

$$$$
WAY-386179
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,050)
3053

>  <Formula> (3,050)
C15H20N2O3

>  <MolWeight> (3,050)
276.3309

>  <PCAT_CMPD_ID> (3,050)
WAY-386179

>  <CNC_ID> (3,050)
359413122

>  <transfer_container_id> (3,050)
PTN000000073

>  <COMPOUND_NUMBER> (3,050)
WAY-386179

>  <LOCATION_CODE> (3,050)
PTNCS

>  <AMOUNT_CURRENT> (3,050)
32.5

$$$$
WAY-312269
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,051)
3054

>  <Formula> (3,051)
C23H18N2O5S

>  <MolWeight> (3,051)
434.46442

>  <PCAT_CMPD_ID> (3,051)
WAY-312269

>  <CNC_ID> (3,051)
359316009

>  <transfer_container_id> (3,051)
PTN000000065

>  <COMPOUND_NUMBER> (3,051)
WAY-312269

>  <LOCATION_CODE> (3,051)
PTNCS

>  <AMOUNT_CURRENT> (3,051)
33.4

$$$$
WAY-311151-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,052)
3055

>  <Formula> (3,052)
C20H19F3N2O2S

>  <MolWeight> (3,052)
408.4372696

>  <PCAT_CMPD_ID> (3,052)
WAY-311151-A

>  <CNC_ID> (3,052)
359314892

>  <transfer_container_id> (3,052)
PTN000000065

>  <COMPOUND_NUMBER> (3,052)
WAY-311151-A

>  <LOCATION_CODE> (3,052)
PTNCS

>  <AMOUNT_CURRENT> (3,052)
33.9

$$$$
WAY-310534
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,053)
3056

>  <Formula> (3,053)
C12H14N2OS

>  <MolWeight> (3,053)
234.31736

>  <PCAT_CMPD_ID> (3,053)
WAY-310534

>  <CNC_ID> (3,053)
359314275

>  <transfer_container_id> (3,053)
PTN000000065

>  <COMPOUND_NUMBER> (3,053)
WAY-310534

>  <LOCATION_CODE> (3,053)
PTNCS

>  <AMOUNT_CURRENT> (3,053)
33

$$$$
WAY-344488
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (3,054)
3057

>  <Formula> (3,054)
C18H14BrFN2O3S2

>  <MolWeight> (3,054)
469.3477632

>  <PCAT_CMPD_ID> (3,054)
WAY-344488

>  <CNC_ID> (3,054)
359319821

>  <transfer_container_id> (3,054)
PTN000000065

>  <COMPOUND_NUMBER> (3,054)
WAY-344488

>  <LOCATION_CODE> (3,054)
PTNCS

>  <AMOUNT_CURRENT> (3,054)
32.3

$$$$
WAY-345084
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
 21 17  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,055)
3058

>  <Formula> (3,055)
C16H20N4O

>  <MolWeight> (3,055)
284.3562

>  <PCAT_CMPD_ID> (3,055)
WAY-345084

>  <CNC_ID> (3,055)
359320394

>  <transfer_container_id> (3,055)
PTN000000065

>  <COMPOUND_NUMBER> (3,055)
WAY-345084

>  <LOCATION_CODE> (3,055)
PTNCS

>  <AMOUNT_CURRENT> (3,055)
23.61

$$$$
WAY-343859
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 13  8  1  0  0  0  0
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 16  3  2  0  0  0  0
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M  END
>  <Mol_ID> (3,056)
3059

>  <Formula> (3,056)
C19H12BrF3N2O3

>  <MolWeight> (3,056)
453.2093896

>  <PCAT_CMPD_ID> (3,056)
WAY-343859

>  <CNC_ID> (3,056)
359319200

>  <transfer_container_id> (3,056)
PTN000000065

>  <COMPOUND_NUMBER> (3,056)
WAY-343859

>  <LOCATION_CODE> (3,056)
PTNCS

>  <AMOUNT_CURRENT> (3,056)
32.5

$$$$
WAY-311686
csChFnd80/10101909502D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,057)
3060

>  <Formula> (3,057)
C22H18N2O4

>  <MolWeight> (3,057)
374.38932

>  <PCAT_CMPD_ID> (3,057)
WAY-311686

>  <CNC_ID> (3,057)
359315427

>  <transfer_container_id> (3,057)
PTN000000065

>  <COMPOUND_NUMBER> (3,057)
WAY-311686

>  <LOCATION_CODE> (3,057)
PTNCS

>  <AMOUNT_CURRENT> (3,057)
33.5

$$$$
WAY-311253-A
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,058)
3061

>  <Formula> (3,058)
C23H27N3O4

>  <MolWeight> (3,058)
409.47818

>  <PCAT_CMPD_ID> (3,058)
WAY-311253-A

>  <CNC_ID> (3,058)
359314994

>  <transfer_container_id> (3,058)
PTN000000065

>  <COMPOUND_NUMBER> (3,058)
WAY-311253-A

>  <LOCATION_CODE> (3,058)
PTNCS

>  <AMOUNT_CURRENT> (3,058)
33.2

$$$$
GI-558258
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,059)
3062

>  <Formula> (3,059)
C20H30O4

>  <MolWeight> (3,059)
334.4498

>  <PCAT_CMPD_ID> (3,059)
GI-558258

>  <CNC_ID> (3,059)
359313658

>  <transfer_container_id> (3,059)
PTN000000065

>  <COMPOUND_NUMBER> (3,059)
GI-558258

>  <LOCATION_CODE> (3,059)
PTNCS

>  <AMOUNT_CURRENT> (3,059)
33.6

$$$$
WAY-310656
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 15  2  0  0  0  0
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  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,060)
3063

>  <Formula> (3,060)
C20H22N2O

>  <MolWeight> (3,060)
306.40148

>  <PCAT_CMPD_ID> (3,060)
WAY-310656

>  <CNC_ID> (3,060)
359314397

>  <transfer_container_id> (3,060)
PTN000000065

>  <COMPOUND_NUMBER> (3,060)
WAY-310656

>  <LOCATION_CODE> (3,060)
PTNCS

>  <AMOUNT_CURRENT> (3,060)
33.4

$$$$
WAY-310776-A
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 20 23  1  0  0  0  0
  7 10  1  0  0  0  0
 12 14  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,061)
3064

>  <Formula> (3,061)
C20H30N2O

>  <MolWeight> (3,061)
314.465

>  <PCAT_CMPD_ID> (3,061)
WAY-310776-A

>  <CNC_ID> (3,061)
359314517

>  <transfer_container_id> (3,061)
PTN000000065

>  <COMPOUND_NUMBER> (3,061)
WAY-310776-A

>  <LOCATION_CODE> (3,061)
PTNCS

>  <AMOUNT_CURRENT> (3,061)
33.8

$$$$
WAY-344562
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
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 15  6  1  0  0  0  0
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 17 10  2  0  0  0  0
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  3  5  1  0  0  0  0
 18 22  2  0  0  0  0
 10 11  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,062)
3065

>  <Formula> (3,062)
C17H13FN2OS

>  <MolWeight> (3,062)
312.3613232

>  <PCAT_CMPD_ID> (3,062)
WAY-344562

>  <CNC_ID> (3,062)
359319885

>  <transfer_container_id> (3,062)
PTN000000065

>  <COMPOUND_NUMBER> (3,062)
WAY-344562

>  <LOCATION_CODE> (3,062)
PTNCS

>  <AMOUNT_CURRENT> (3,062)
32.4

$$$$
WAY-344865
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  3  2  0  0  0  0
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 14  8  1  0  0  0  0
 15  1  1  0  0  0  0
 16  6  1  0  0  0  0
 17 14  1  0  0  0  0
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 23 17  1  0  0  0  0
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 25 22  2  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,063)
3066

>  <Formula> (3,063)
C19H18ClNO3S

>  <MolWeight> (3,063)
375.86912

>  <PCAT_CMPD_ID> (3,063)
WAY-344865

>  <CNC_ID> (3,063)
359320176

>  <transfer_container_id> (3,063)
PTN000000065

>  <COMPOUND_NUMBER> (3,063)
WAY-344865

>  <LOCATION_CODE> (3,063)
PTNCS

>  <AMOUNT_CURRENT> (3,063)
32.5

$$$$
WAY-310772
csChFnd80/10101909502D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 17 21  2  0  0  0  0
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M  END
>  <Mol_ID> (3,064)
3067

>  <Formula> (3,064)
C22H23NO3

>  <MolWeight> (3,064)
349.42292

>  <PCAT_CMPD_ID> (3,064)
WAY-310772

>  <CNC_ID> (3,064)
359314513

>  <transfer_container_id> (3,064)
PTN000000065

>  <COMPOUND_NUMBER> (3,064)
WAY-310772

>  <LOCATION_CODE> (3,064)
PTNCS

>  <AMOUNT_CURRENT> (3,064)
33.4

$$$$
WAY-323390
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 17  8  1  0  0  0  0
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M  END
>  <Mol_ID> (3,065)
3068

>  <Formula> (3,065)
C20H21N3O5

>  <MolWeight> (3,065)
383.39784

>  <PCAT_CMPD_ID> (3,065)
WAY-323390

>  <CNC_ID> (3,065)
359316329

>  <transfer_container_id> (3,065)
PTN000000065

>  <COMPOUND_NUMBER> (3,065)
WAY-323390

>  <LOCATION_CODE> (3,065)
PTNCS

>  <AMOUNT_CURRENT> (3,065)
32.8

$$$$
WAY-310330
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 13 16  1  0  0  0  0
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M  END
>  <Mol_ID> (3,066)
3069

>  <Formula> (3,066)
C16H12F3N3O3S

>  <MolWeight> (3,066)
383.3449896

>  <PCAT_CMPD_ID> (3,066)
WAY-310330

>  <CNC_ID> (3,066)
359314071

>  <transfer_container_id> (3,066)
PTN000000065

>  <COMPOUND_NUMBER> (3,066)
WAY-310330

>  <LOCATION_CODE> (3,066)
PTNCS

>  <AMOUNT_CURRENT> (3,066)
33.7

$$$$
WAY-343935
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,067)
3070

>  <Formula> (3,067)
C15H12N2O4S

>  <MolWeight> (3,067)
316.33178

>  <PCAT_CMPD_ID> (3,067)
WAY-343935

>  <CNC_ID> (3,067)
359319274

>  <transfer_container_id> (3,067)
PTN000000065

>  <COMPOUND_NUMBER> (3,067)
WAY-343935

>  <LOCATION_CODE> (3,067)
PTNCS

>  <AMOUNT_CURRENT> (3,067)
32.3

$$$$
WAY-313257
csChFnd80/10101909502D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,068)
3071

>  <Formula> (3,068)
C11H18O2S

>  <MolWeight> (3,068)
214.32442

>  <PCAT_CMPD_ID> (3,068)
WAY-313257

>  <CNC_ID> (3,068)
359328293

>  <transfer_container_id> (3,068)
PTN000000067

>  <COMPOUND_NUMBER> (3,068)
WAY-313257

>  <LOCATION_CODE> (3,068)
PTNCS

>  <AMOUNT_CURRENT> (3,068)
33.3

$$$$
WAY-343800
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,069)
3072

>  <Formula> (3,069)
C15H20BrNO

>  <MolWeight> (3,069)
310.2294

>  <PCAT_CMPD_ID> (3,069)
WAY-343800

>  <CNC_ID> (3,069)
359319141

>  <transfer_container_id> (3,069)
PTN000000065

>  <COMPOUND_NUMBER> (3,069)
WAY-343800

>  <LOCATION_CODE> (3,069)
PTNCS

>  <AMOUNT_CURRENT> (3,069)
32.9

$$$$
WAY-231637
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,070)
3073

>  <Formula> (3,070)
C11H9BrN4O3

>  <MolWeight> (3,070)
325.11816

>  <PCAT_CMPD_ID> (3,070)
WAY-231637

>  <CNC_ID> (3,070)
359313901

>  <transfer_container_id> (3,070)
PTN000000065

>  <COMPOUND_NUMBER> (3,070)
WAY-231637

>  <LOCATION_CODE> (3,070)
PTNCS

>  <AMOUNT_CURRENT> (3,070)
33.9

$$$$
WAY-312054
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,071)
3074

>  <Formula> (3,071)
C17H25NO2

>  <MolWeight> (3,071)
275.3859

>  <PCAT_CMPD_ID> (3,071)
WAY-312054

>  <CNC_ID> (3,071)
359315795

>  <transfer_container_id> (3,071)
PTN000000065

>  <COMPOUND_NUMBER> (3,071)
WAY-312054

>  <LOCATION_CODE> (3,071)
PTNCS

>  <AMOUNT_CURRENT> (3,071)
33.6

$$$$
WAY-343988
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,072)
3075

>  <Formula> (3,072)
C18H16ClN3O2S

>  <MolWeight> (3,072)
373.85654

>  <PCAT_CMPD_ID> (3,072)
WAY-343988

>  <CNC_ID> (3,072)
359319326

>  <transfer_container_id> (3,072)
PTN000000065

>  <COMPOUND_NUMBER> (3,072)
WAY-343988

>  <LOCATION_CODE> (3,072)
PTNCS

>  <AMOUNT_CURRENT> (3,072)
32.6

$$$$
WAY-344064
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,073)
3076

>  <Formula> (3,073)
C17H13ClN2OS3

>  <MolWeight> (3,073)
392.94592

>  <PCAT_CMPD_ID> (3,073)
WAY-344064

>  <CNC_ID> (3,073)
359319400

>  <transfer_container_id> (3,073)
PTN000000065

>  <COMPOUND_NUMBER> (3,073)
WAY-344064

>  <LOCATION_CODE> (3,073)
PTNCS

>  <AMOUNT_CURRENT> (3,073)
32.6

$$$$
WAY-119938-A
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,074)
3077

>  <Formula> (3,074)
C14H20N2O3

>  <MolWeight> (3,074)
264.3202

>  <PCAT_CMPD_ID> (3,074)
WAY-119938-A

>  <CNC_ID> (3,074)
359313756

>  <transfer_container_id> (3,074)
PTN000000065

>  <COMPOUND_NUMBER> (3,074)
WAY-119938-A

>  <LOCATION_CODE> (3,074)
PTNCS

>  <AMOUNT_CURRENT> (3,074)
33.8

$$$$
WAY-311208
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (3,075)
3078

>  <Formula> (3,075)
C22H26N2O3

>  <MolWeight> (3,075)
366.45344

>  <PCAT_CMPD_ID> (3,075)
WAY-311208

>  <CNC_ID> (3,075)
359314949

>  <transfer_container_id> (3,075)
PTN000000065

>  <COMPOUND_NUMBER> (3,075)
WAY-311208

>  <LOCATION_CODE> (3,075)
PTNCS

>  <AMOUNT_CURRENT> (3,075)
33.5

$$$$
WAY-344541
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 11  7  2  0  0  0  0
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 14  2  1  0  0  0  0
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 18 14  1  0  0  0  0
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  4  3  1  0  0  0  0
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M  END
>  <Mol_ID> (3,076)
3079

>  <Formula> (3,076)
C17H12N4O4S

>  <MolWeight> (3,076)
368.36658

>  <PCAT_CMPD_ID> (3,076)
WAY-344541

>  <CNC_ID> (3,076)
359319864

>  <transfer_container_id> (3,076)
PTN000000065

>  <COMPOUND_NUMBER> (3,076)
WAY-344541

>  <LOCATION_CODE> (3,076)
PTNCS

>  <AMOUNT_CURRENT> (3,076)
30.1

$$$$
WAY-344070
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,077)
3080

>  <Formula> (3,077)
C17H16F2N4O2S

>  <MolWeight> (3,077)
378.3963464

>  <PCAT_CMPD_ID> (3,077)
WAY-344070

>  <CNC_ID> (3,077)
359319406

>  <transfer_container_id> (3,077)
PTN000000065

>  <COMPOUND_NUMBER> (3,077)
WAY-344070

>  <LOCATION_CODE> (3,077)
PTNCS

>  <AMOUNT_CURRENT> (3,077)
29.4

$$$$
WAY-311520
csChFnd80/10101909502D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,078)
3081

>  <Formula> (3,078)
C24H20FNO2

>  <MolWeight> (3,078)
373.4195032

>  <PCAT_CMPD_ID> (3,078)
WAY-311520

>  <CNC_ID> (3,078)
359315261

>  <transfer_container_id> (3,078)
PTN000000065

>  <COMPOUND_NUMBER> (3,078)
WAY-311520

>  <LOCATION_CODE> (3,078)
PTNCS

>  <AMOUNT_CURRENT> (3,078)
33.5

$$$$
CL-407200
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 17 23  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,079)
3082

>  <Formula> (3,079)
C19H18N4O5

>  <MolWeight> (3,079)
382.37002

>  <PCAT_CMPD_ID> (3,079)
CL-407200

>  <CNC_ID> (3,079)
359313599

>  <transfer_container_id> (3,079)
PTN000000065

>  <COMPOUND_NUMBER> (3,079)
CL-407200

>  <LOCATION_CODE> (3,079)
PTNCS

>  <AMOUNT_CURRENT> (3,079)
33

$$$$
WAY-311885
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  9 15  1  0  0  0  0
 13 14  2  0  0  0  0
 18 23  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,080)
3083

>  <Formula> (3,080)
C21H21ClN2O

>  <MolWeight> (3,080)
352.85724

>  <PCAT_CMPD_ID> (3,080)
WAY-311885

>  <CNC_ID> (3,080)
359315626

>  <transfer_container_id> (3,080)
PTN000000065

>  <COMPOUND_NUMBER> (3,080)
WAY-311885

>  <LOCATION_CODE> (3,080)
PTNCS

>  <AMOUNT_CURRENT> (3,080)
33.5

$$$$
WAY-344831
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10 21  1  0  0  0  0
 11  8  1  0  0  0  0
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 13  9  1  0  0  0  0
 14  4  2  0  0  0  0
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 17  3  2  0  0  0  0
 18  3  1  0  0  0  0
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 20  2  1  0  0  0  0
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 29 11  1  0  0  0  0
 22 21  2  0  0  0  0
 16 24  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,081)
3084

>  <Formula> (3,081)
C21H22N2O5S

>  <MolWeight> (3,081)
414.47478

>  <PCAT_CMPD_ID> (3,081)
WAY-344831

>  <CNC_ID> (3,081)
359320142

>  <transfer_container_id> (3,081)
PTN000000065

>  <COMPOUND_NUMBER> (3,081)
WAY-344831

>  <LOCATION_CODE> (3,081)
PTNCS

>  <AMOUNT_CURRENT> (3,081)
29.6

$$$$
WAY-312948
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 13 18  1  0  0  0  0
 25 28  1  0  0  0  0
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M  END
>  <Mol_ID> (3,082)
3085

>  <Formula> (3,082)
C23H17BrN4O2

>  <MolWeight> (3,082)
461.31068

>  <PCAT_CMPD_ID> (3,082)
WAY-312948

>  <CNC_ID> (3,082)
359327985

>  <transfer_container_id> (3,082)
PTN000000067

>  <COMPOUND_NUMBER> (3,082)
WAY-312948

>  <LOCATION_CODE> (3,082)
PTNCS

>  <AMOUNT_CURRENT> (3,082)
26.9

$$$$
WAY-310701
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,083)
3086

>  <Formula> (3,083)
C17H14F3N3O2

>  <MolWeight> (3,083)
349.3071696

>  <PCAT_CMPD_ID> (3,083)
WAY-310701

>  <CNC_ID> (3,083)
359314442

>  <transfer_container_id> (3,083)
PTN000000065

>  <COMPOUND_NUMBER> (3,083)
WAY-310701

>  <LOCATION_CODE> (3,083)
PTNCS

>  <AMOUNT_CURRENT> (3,083)
33.5

$$$$
WAY-118849-A
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
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 20  5  2  0  0  0  0
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 15 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,084)
3087

>  <Formula> (3,084)
C18H16FN3O

>  <MolWeight> (3,084)
309.3375432

>  <PCAT_CMPD_ID> (3,084)
WAY-118849-A

>  <CNC_ID> (3,084)
359326835

>  <transfer_container_id> (3,084)
PTN000000067

>  <COMPOUND_NUMBER> (3,084)
WAY-118849-A

>  <LOCATION_CODE> (3,084)
PTNCS

>  <AMOUNT_CURRENT> (3,084)
33.7

$$$$
WAY-311673
csChFnd80/10101909502D

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 29 30  1  0  0  0  0
  5  7  1  0  0  0  0
 19 21  1  0  0  0  0
 25 26  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,085)
3088

>  <Formula> (3,085)
C21H20FN3O4S

>  <MolWeight> (3,085)
429.4646032

>  <PCAT_CMPD_ID> (3,085)
WAY-311673

>  <CNC_ID> (3,085)
359315414

>  <transfer_container_id> (3,085)
PTN000000065

>  <COMPOUND_NUMBER> (3,085)
WAY-311673

>  <LOCATION_CODE> (3,085)
PTNCS

>  <AMOUNT_CURRENT> (3,085)
33.6

$$$$
WAY-344835
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  2  1  0  0  0  0
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M  END
>  <Mol_ID> (3,086)
3089

>  <Formula> (3,086)
C18H16FN3O4S2

>  <MolWeight> (3,086)
421.4657432

>  <PCAT_CMPD_ID> (3,086)
WAY-344835

>  <CNC_ID> (3,086)
359320146

>  <transfer_container_id> (3,086)
PTN000000065

>  <COMPOUND_NUMBER> (3,086)
WAY-344835

>  <LOCATION_CODE> (3,086)
PTNCS

>  <AMOUNT_CURRENT> (3,086)
29.3

$$$$
WAY-311222
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,087)
3090

>  <Formula> (3,087)
C10H12N2O2S2

>  <MolWeight> (3,087)
256.34448

>  <PCAT_CMPD_ID> (3,087)
WAY-311222

>  <CNC_ID> (3,087)
359314963

>  <transfer_container_id> (3,087)
PTN000000065

>  <COMPOUND_NUMBER> (3,087)
WAY-311222

>  <LOCATION_CODE> (3,087)
PTNCS

>  <AMOUNT_CURRENT> (3,087)
33.5

$$$$
WAY-311724
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,088)
3091

>  <Formula> (3,088)
C11H12N4O2S

>  <MolWeight> (3,088)
264.30358

>  <PCAT_CMPD_ID> (3,088)
WAY-311724

>  <CNC_ID> (3,088)
359315465

>  <transfer_container_id> (3,088)
PTN000000065

>  <COMPOUND_NUMBER> (3,088)
WAY-311724

>  <LOCATION_CODE> (3,088)
PTNCS

>  <AMOUNT_CURRENT> (3,088)
33

$$$$
WAY-343584
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,089)
3092

>  <Formula> (3,089)
C12H7Cl2N3O2S2

>  <MolWeight> (3,089)
360.23888

>  <PCAT_CMPD_ID> (3,089)
WAY-343584

>  <CNC_ID> (3,089)
359318994

>  <transfer_container_id> (3,089)
PTN000000065

>  <COMPOUND_NUMBER> (3,089)
WAY-343584

>  <LOCATION_CODE> (3,089)
PTNCS

>  <AMOUNT_CURRENT> (3,089)
29.7

$$$$
WAY-311533
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,090)
3093

>  <Formula> (3,090)
C15H13NO3S

>  <MolWeight> (3,090)
287.33362

>  <PCAT_CMPD_ID> (3,090)
WAY-311533

>  <CNC_ID> (3,090)
359315274

>  <transfer_container_id> (3,090)
PTN000000065

>  <COMPOUND_NUMBER> (3,090)
WAY-311533

>  <LOCATION_CODE> (3,090)
PTNCS

>  <AMOUNT_CURRENT> (3,090)
33.3

$$$$
WAY-343735
csChFnd80/10101909502D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,091)
3094

>  <Formula> (3,091)
C24H23N3O4S

>  <MolWeight> (3,091)
449.52212

>  <PCAT_CMPD_ID> (3,091)
WAY-343735

>  <CNC_ID> (3,091)
359319076

>  <transfer_container_id> (3,091)
PTN000000065

>  <COMPOUND_NUMBER> (3,091)
WAY-343735

>  <LOCATION_CODE> (3,091)
PTNCS

>  <AMOUNT_CURRENT> (3,091)
29.3

$$$$
WL-346479
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,092)
3095

>  <Formula> (3,092)
C13H16ClNO

>  <MolWeight> (3,092)
237.72524

>  <PCAT_CMPD_ID> (3,092)
WL-346479

>  <CNC_ID> (3,092)
359326681

>  <transfer_container_id> (3,092)
PTN000000065

>  <COMPOUND_NUMBER> (3,092)
WL-346479

>  <LOCATION_CODE> (3,092)
PTNCS

>  <AMOUNT_CURRENT> (3,092)
33.9

$$$$
WAY-310909
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,093)
3096

>  <Formula> (3,093)
C23H21FN2O3

>  <MolWeight> (3,093)
392.4228432

>  <PCAT_CMPD_ID> (3,093)
WAY-310909

>  <CNC_ID> (3,093)
359314651

>  <transfer_container_id> (3,093)
PTN000000065

>  <COMPOUND_NUMBER> (3,093)
WAY-310909

>  <LOCATION_CODE> (3,093)
PTNCS

>  <AMOUNT_CURRENT> (3,093)
33.5

$$$$
WAY-345471
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,094)
3097

>  <Formula> (3,094)
C16H19N3O3S2

>  <MolWeight> (3,094)
365.47036

>  <PCAT_CMPD_ID> (3,094)
WAY-345471

>  <CNC_ID> (3,094)
359320740

>  <transfer_container_id> (3,094)
PTN000000065

>  <COMPOUND_NUMBER> (3,094)
WAY-345471

>  <LOCATION_CODE> (3,094)
PTNCS

>  <AMOUNT_CURRENT> (3,094)
29.1

$$$$
WAY-225218
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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  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
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 10 16  1  0  0  0  0
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 22 23  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,095)
3098

>  <Formula> (3,095)
C17H22N2O4

>  <MolWeight> (3,095)
318.36758

>  <PCAT_CMPD_ID> (3,095)
WAY-225218

>  <CNC_ID> (3,095)
359313853

>  <transfer_container_id> (3,095)
PTN000000065

>  <COMPOUND_NUMBER> (3,095)
WAY-225218

>  <LOCATION_CODE> (3,095)
PTNCS

>  <AMOUNT_CURRENT> (3,095)
33.2

$$$$
WAY-345445
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15 20  2  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
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 21  3  2  0  0  0  0
 22 23  2  0  0  0  0
 23 21  1  0  0  0  0
  6 22  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,096)
3099

>  <Formula> (3,096)
C15H12BrClN2O4

>  <MolWeight> (3,096)
399.62378

>  <PCAT_CMPD_ID> (3,096)
WAY-345445

>  <CNC_ID> (3,096)
359320714

>  <transfer_container_id> (3,096)
PTN000000065

>  <COMPOUND_NUMBER> (3,096)
WAY-345445

>  <LOCATION_CODE> (3,096)
PTNCS

>  <AMOUNT_CURRENT> (3,096)
23.8

$$$$
WAY-311167-A
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 14 17  2  0  0  0  0
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 12 13  1  0  0  0  0
 15 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,097)
3100

>  <Formula> (3,097)
C20H27NO2

>  <MolWeight> (3,097)
313.43388

>  <PCAT_CMPD_ID> (3,097)
WAY-311167-A

>  <CNC_ID> (3,097)
359314908

>  <transfer_container_id> (3,097)
PTN000000065

>  <COMPOUND_NUMBER> (3,097)
WAY-311167-A

>  <LOCATION_CODE> (3,097)
PTNCS

>  <AMOUNT_CURRENT> (3,097)
33.3

$$$$
WAY-344126
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 17  1  0  0  0  0
 15  5  1  0  0  0  0
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 22 20  1  0  0  0  0
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 24 23  1  0  0  0  0
 12  2  1  0  0  0  0
 16 14  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,098)
3101

>  <Formula> (3,098)
C19H22ClN3O

>  <MolWeight> (3,098)
343.85048

>  <PCAT_CMPD_ID> (3,098)
WAY-344126

>  <CNC_ID> (3,098)
359319462

>  <transfer_container_id> (3,098)
PTN000000065

>  <COMPOUND_NUMBER> (3,098)
WAY-344126

>  <LOCATION_CODE> (3,098)
PTNCS

>  <AMOUNT_CURRENT> (3,098)
23.9

$$$$
WAY-310493
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,099)
3102

>  <Formula> (3,099)
C13H11BrN2

>  <MolWeight> (3,099)
275.14384

>  <PCAT_CMPD_ID> (3,099)
WAY-310493

>  <CNC_ID> (3,099)
359314234

>  <transfer_container_id> (3,099)
PTN000000065

>  <COMPOUND_NUMBER> (3,099)
WAY-310493

>  <LOCATION_CODE> (3,099)
PTNCS

>  <AMOUNT_CURRENT> (3,099)
33.4

$$$$
WAY-344767
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  5  2  0  0  0  0
 12 10  2  0  0  0  0
 13  6  1  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
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 22 19  1  0  0  0  0
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  8  3  2  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,100)
3103

>  <Formula> (3,100)
C17H23ClN2O3

>  <MolWeight> (3,100)
338.82912

>  <PCAT_CMPD_ID> (3,100)
WAY-344767

>  <CNC_ID> (3,100)
359320078

>  <transfer_container_id> (3,100)
PTN000000065

>  <COMPOUND_NUMBER> (3,100)
WAY-344767

>  <LOCATION_CODE> (3,100)
PTNCS

>  <AMOUNT_CURRENT> (3,100)
27.3

$$$$
CL-402397
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,101)
3104

>  <Formula> (3,101)
C23H16N2O5

>  <MolWeight> (3,101)
400.38354

>  <PCAT_CMPD_ID> (3,101)
CL-402397

>  <CNC_ID> (3,101)
359326713

>  <transfer_container_id> (3,101)
PTN000000067

>  <COMPOUND_NUMBER> (3,101)
CL-402397

>  <LOCATION_CODE> (3,101)
PTNCS

>  <AMOUNT_CURRENT> (3,101)
33.4

$$$$
WAY-311887
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  5  7  2  0  0  0  0
 15 16  1  0  0  0  0
 20 21  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,102)
3105

>  <Formula> (3,102)
C22H23N3O4

>  <MolWeight> (3,102)
393.43572

>  <PCAT_CMPD_ID> (3,102)
WAY-311887

>  <CNC_ID> (3,102)
359315628

>  <transfer_container_id> (3,102)
PTN000000065

>  <COMPOUND_NUMBER> (3,102)
WAY-311887

>  <LOCATION_CODE> (3,102)
PTNCS

>  <AMOUNT_CURRENT> (3,102)
33.2

$$$$
WAY-344558
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 16 21  2  0  0  0  0
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M  END
>  <Mol_ID> (3,103)
3106

>  <Formula> (3,103)
C21H20N2O2

>  <MolWeight> (3,103)
332.3957

>  <PCAT_CMPD_ID> (3,103)
WAY-344558

>  <CNC_ID> (3,103)
359319881

>  <transfer_container_id> (3,103)
PTN000000065

>  <COMPOUND_NUMBER> (3,103)
WAY-344558

>  <LOCATION_CODE> (3,103)
PTNCS

>  <AMOUNT_CURRENT> (3,103)
26.9

$$$$
WAY-310682
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,104)
3107

>  <Formula> (3,104)
C21H26N2O5S

>  <MolWeight> (3,104)
418.50654

>  <PCAT_CMPD_ID> (3,104)
WAY-310682

>  <CNC_ID> (3,104)
359314423

>  <transfer_container_id> (3,104)
PTN000000065

>  <COMPOUND_NUMBER> (3,104)
WAY-310682

>  <LOCATION_CODE> (3,104)
PTNCS

>  <AMOUNT_CURRENT> (3,104)
33.7

$$$$
WAY-345369
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 12  1  1  0  0  0  0
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 15  3  2  0  0  0  0
 16  4  2  0  0  0  0
 17  4  1  0  0  0  0
 18  6  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
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 23  2  1  0  0  0  0
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 21  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,105)
3108

>  <Formula> (3,105)
C21H26N2O4

>  <MolWeight> (3,105)
370.44214

>  <PCAT_CMPD_ID> (3,105)
WAY-345369

>  <CNC_ID> (3,105)
359320640

>  <transfer_container_id> (3,105)
PTN000000065

>  <COMPOUND_NUMBER> (3,105)
WAY-345369

>  <LOCATION_CODE> (3,105)
PTNCS

>  <AMOUNT_CURRENT> (3,105)
26.7

$$$$
WAY-344615
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
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 13  5  1  0  0  0  0
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 15  9  1  0  0  0  0
 16  8  1  0  0  0  0
 17 13  1  0  0  0  0
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M  END
>  <Mol_ID> (3,106)
3109

>  <Formula> (3,106)
C21H17NO4

>  <MolWeight> (3,106)
347.36398

>  <PCAT_CMPD_ID> (3,106)
WAY-344615

>  <CNC_ID> (3,106)
359319932

>  <transfer_container_id> (3,106)
PTN000000065

>  <COMPOUND_NUMBER> (3,106)
WAY-344615

>  <LOCATION_CODE> (3,106)
PTNCS

>  <AMOUNT_CURRENT> (3,106)
28.9

$$$$
WAY-228953
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,107)
3110

>  <Formula> (3,107)
C9H7NO4

>  <MolWeight> (3,107)
193.15618

>  <PCAT_CMPD_ID> (3,107)
WAY-228953

>  <CNC_ID> (3,107)
359313882

>  <transfer_container_id> (3,107)
PTN000000065

>  <COMPOUND_NUMBER> (3,107)
WAY-228953

>  <LOCATION_CODE> (3,107)
PTNCS

>  <AMOUNT_CURRENT> (3,107)
33.2

$$$$
WAY-344812
csChFnd80/10101909502D

 35 38  0  0  0  0  0  0  0  0999 V2000
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 33 25  1  0  0  0  0
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 19 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,108)
3111

>  <Formula> (3,108)
C28H27N3O4

>  <MolWeight> (3,108)
469.53168

>  <PCAT_CMPD_ID> (3,108)
WAY-344812

>  <CNC_ID> (3,108)
359320123

>  <transfer_container_id> (3,108)
PTN000000065

>  <COMPOUND_NUMBER> (3,108)
WAY-344812

>  <LOCATION_CODE> (3,108)
PTNCS

>  <AMOUNT_CURRENT> (3,108)
32.9

$$$$
WAY-343850
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
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 13  7  1  0  0  0  0
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 15  8  1  0  0  0  0
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  9 14  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,109)
3112

>  <Formula> (3,109)
C13H12ClN3O4

>  <MolWeight> (3,109)
309.70508

>  <PCAT_CMPD_ID> (3,109)
WAY-343850

>  <CNC_ID> (3,109)
359319191

>  <transfer_container_id> (3,109)
PTN000000065

>  <COMPOUND_NUMBER> (3,109)
WAY-343850

>  <LOCATION_CODE> (3,109)
PTNCS

>  <AMOUNT_CURRENT> (3,109)
32.3

$$$$
WAY-311479
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,110)
3113

>  <Formula> (3,110)
C8H7NO4S2

>  <MolWeight> (3,110)
245.27548

>  <PCAT_CMPD_ID> (3,110)
WAY-311479

>  <CNC_ID> (3,110)
359315220

>  <transfer_container_id> (3,110)
PTN000000065

>  <COMPOUND_NUMBER> (3,110)
WAY-311479

>  <LOCATION_CODE> (3,110)
PTNCS

>  <AMOUNT_CURRENT> (3,110)
33.4

$$$$
CL-324169
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 12 15  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,111)
3114

>  <Formula> (3,111)
C14H11N3O

>  <MolWeight> (3,111)
237.25664

>  <PCAT_CMPD_ID> (3,111)
CL-324169

>  <CNC_ID> (3,111)
359313575

>  <transfer_container_id> (3,111)
PTN000000065

>  <COMPOUND_NUMBER> (3,111)
CL-324169

>  <LOCATION_CODE> (3,111)
PTNCS

>  <AMOUNT_CURRENT> (3,111)
33.5

$$$$
WAY-344816
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
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 13 12  2  0  0  0  0
 14  5  2  0  0  0  0
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 23 16  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,112)
3115

>  <Formula> (3,112)
C19H25N3O2

>  <MolWeight> (3,112)
327.4207

>  <PCAT_CMPD_ID> (3,112)
WAY-344816

>  <CNC_ID> (3,112)
359320127

>  <transfer_container_id> (3,112)
PTN000000065

>  <COMPOUND_NUMBER> (3,112)
WAY-344816

>  <LOCATION_CODE> (3,112)
PTNCS

>  <AMOUNT_CURRENT> (3,112)
32.2

$$$$
WAY-312111
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (3,113)
3116

>  <Formula> (3,113)
C15H18N2O2S

>  <MolWeight> (3,113)
290.38062

>  <PCAT_CMPD_ID> (3,113)
WAY-312111

>  <CNC_ID> (3,113)
359315851

>  <transfer_container_id> (3,113)
PTN000000065

>  <COMPOUND_NUMBER> (3,113)
WAY-312111

>  <LOCATION_CODE> (3,113)
PTNCS

>  <AMOUNT_CURRENT> (3,113)
33.3

$$$$
WAY-239650
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11  6  2  0  0  0  0
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 18 21  1  0  0  0  0
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  9 11  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,114)
3117

>  <Formula> (3,114)
C15H12BrN3O3

>  <MolWeight> (3,114)
362.17808

>  <PCAT_CMPD_ID> (3,114)
WAY-239650

>  <CNC_ID> (3,114)
359313969

>  <transfer_container_id> (3,114)
PTN000000065

>  <COMPOUND_NUMBER> (3,114)
WAY-239650

>  <LOCATION_CODE> (3,114)
PTNCS

>  <AMOUNT_CURRENT> (3,114)
33.7

$$$$
WAY-345537
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  1  0  0  0  0
 15 16  1  0  0  0  0
 16  9  2  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  0  0  0  0
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 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 15 17  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,115)
3118

>  <Formula> (3,115)
C18H24F2N2O2

>  <MolWeight> (3,115)
338.3921664

>  <PCAT_CMPD_ID> (3,115)
WAY-345537

>  <CNC_ID> (3,115)
359320799

>  <transfer_container_id> (3,115)
PTN000000065

>  <COMPOUND_NUMBER> (3,115)
WAY-345537

>  <LOCATION_CODE> (3,115)
PTNCS

>  <AMOUNT_CURRENT> (3,115)
32.8

$$$$
WAY-312355
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,116)
3119

>  <Formula> (3,116)
C13H12BrNO

>  <MolWeight> (3,116)
278.14448

>  <PCAT_CMPD_ID> (3,116)
WAY-312355

>  <CNC_ID> (3,116)
359316095

>  <transfer_container_id> (3,116)
PTN000000065

>  <COMPOUND_NUMBER> (3,116)
WAY-312355

>  <LOCATION_CODE> (3,116)
PTNCS

>  <AMOUNT_CURRENT> (3,116)
33.5

$$$$
WAY-342671
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
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 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
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 17  5  1  0  0  0  0
 18 10  1  0  0  0  0
  2  5  2  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,117)
3120

>  <Formula> (3,117)
C12H12N2O2S2

>  <MolWeight> (3,117)
280.36588

>  <PCAT_CMPD_ID> (3,117)
WAY-342671

>  <CNC_ID> (3,117)
359318926

>  <transfer_container_id> (3,117)
PTN000000065

>  <COMPOUND_NUMBER> (3,117)
WAY-342671

>  <LOCATION_CODE> (3,117)
PTNCS

>  <AMOUNT_CURRENT> (3,117)
29.4

$$$$
WAY-345567
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,118)
3121

>  <Formula> (3,118)
C22H22N2O

>  <MolWeight> (3,118)
330.42288

>  <PCAT_CMPD_ID> (3,118)
WAY-345567

>  <CNC_ID> (3,118)
359320824

>  <transfer_container_id> (3,118)
PTN000000065

>  <COMPOUND_NUMBER> (3,118)
WAY-345567

>  <LOCATION_CODE> (3,118)
PTNCS

>  <AMOUNT_CURRENT> (3,118)
21.09

$$$$
WAY-345237
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 18  7  1  0  0  0  0
 19 11  1  0  0  0  0
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 21 15  1  0  0  0  0
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  4  7  1  0  0  0  0
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M  END
>  <Mol_ID> (3,119)
3122

>  <Formula> (3,119)
C18H15BrN2O5

>  <MolWeight> (3,119)
419.2261

>  <PCAT_CMPD_ID> (3,119)
WAY-345237

>  <CNC_ID> (3,119)
359320536

>  <transfer_container_id> (3,119)
PTN000000065

>  <COMPOUND_NUMBER> (3,119)
WAY-345237

>  <LOCATION_CODE> (3,119)
PTNCS

>  <AMOUNT_CURRENT> (3,119)
29.3

$$$$
WAY-343703
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
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 15  7  1  0  0  0  0
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 11 14  1  0  0  0  0
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M  END
>  <Mol_ID> (3,120)
3123

>  <Formula> (3,120)
C22H28N2O2

>  <MolWeight> (3,120)
352.46992

>  <PCAT_CMPD_ID> (3,120)
WAY-343703

>  <CNC_ID> (3,120)
359319045

>  <transfer_container_id> (3,120)
PTN000000065

>  <COMPOUND_NUMBER> (3,120)
WAY-343703

>  <LOCATION_CODE> (3,120)
PTNCS

>  <AMOUNT_CURRENT> (3,120)
32.3

$$$$
WAY-313002
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.5414    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 11  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,121)
3124

>  <Formula> (3,121)
C13H12N4O4

>  <MolWeight> (3,121)
288.25878

>  <PCAT_CMPD_ID> (3,121)
WAY-313002

>  <CNC_ID> (3,121)
359328039

>  <transfer_container_id> (3,121)
PTN000000067

>  <COMPOUND_NUMBER> (3,121)
WAY-313002

>  <LOCATION_CODE> (3,121)
PTNCS

>  <AMOUNT_CURRENT> (3,121)
33.2

$$$$
WAY-115148
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
   11.3185   -8.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  4  1  0  0  0  0
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 16  8  1  0  0  0  0
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 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,122)
3125

>  <Formula> (3,122)
C14H20N4S

>  <MolWeight> (3,122)
276.4004

>  <PCAT_CMPD_ID> (3,122)
WAY-115148

>  <CNC_ID> (3,122)
359313702

>  <transfer_container_id> (3,122)
PTN000000065

>  <COMPOUND_NUMBER> (3,122)
WAY-115148

>  <LOCATION_CODE> (3,122)
PTNCS

>  <AMOUNT_CURRENT> (3,122)
33.3

$$$$
WAY-345000
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
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 14  8  1  0  0  0  0
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  2  5  1  0  0  0  0
 12 16  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,123)
3126

>  <Formula> (3,123)
C16H16N2O

>  <MolWeight> (3,123)
252.31104

>  <PCAT_CMPD_ID> (3,123)
WAY-345000

>  <CNC_ID> (3,123)
359320310

>  <transfer_container_id> (3,123)
PTN000000065

>  <COMPOUND_NUMBER> (3,123)
WAY-345000

>  <LOCATION_CODE> (3,123)
PTNCS

>  <AMOUNT_CURRENT> (3,123)
29.6

$$$$
WAY-345891
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  9  2  0  0  0  0
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  4  5  1  0  0  0  0
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 14 23  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,124)
3127

>  <Formula> (3,124)
C21H26N2O2S

>  <MolWeight> (3,124)
370.50834

>  <PCAT_CMPD_ID> (3,124)
WAY-345891

>  <CNC_ID> (3,124)
359320891

>  <transfer_container_id> (3,124)
PTN000000065

>  <COMPOUND_NUMBER> (3,124)
WAY-345891

>  <LOCATION_CODE> (3,124)
PTNCS

>  <AMOUNT_CURRENT> (3,124)
28.9

$$$$
WAY-344452
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,125)
3128

>  <Formula> (3,125)
C18H15ClN4O2S

>  <MolWeight> (3,125)
386.8553

>  <PCAT_CMPD_ID> (3,125)
WAY-344452

>  <CNC_ID> (3,125)
359319786

>  <transfer_container_id> (3,125)
PTN000000065

>  <COMPOUND_NUMBER> (3,125)
WAY-344452

>  <LOCATION_CODE> (3,125)
PTNCS

>  <AMOUNT_CURRENT> (3,125)
32.4

$$$$
WAY-344882
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
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 10  8  2  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,126)
3129

>  <Formula> (3,126)
C15H11N3S2

>  <MolWeight> (3,126)
297.39794

>  <PCAT_CMPD_ID> (3,126)
WAY-344882

>  <CNC_ID> (3,126)
359320193

>  <transfer_container_id> (3,126)
PTN000000065

>  <COMPOUND_NUMBER> (3,126)
WAY-344882

>  <LOCATION_CODE> (3,126)
PTNCS

>  <AMOUNT_CURRENT> (3,126)
32.4

$$$$
WAY-343591
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 15 13  2  0  0  0  0
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 22 11  1  0  0  0  0
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 10  7  1  0  0  0  0
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 24 25  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,127)
3130

>  <Formula> (3,127)
C18H14BrN5O

>  <MolWeight> (3,127)
396.24066

>  <PCAT_CMPD_ID> (3,127)
WAY-343591

>  <CNC_ID> (3,127)
359319001

>  <transfer_container_id> (3,127)
PTN000000065

>  <COMPOUND_NUMBER> (3,127)
WAY-343591

>  <LOCATION_CODE> (3,127)
PTNCS

>  <AMOUNT_CURRENT> (3,127)
30

$$$$
CL-415836
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,128)
3131

>  <Formula> (3,128)
C20H15N3O2

>  <MolWeight> (3,128)
329.352

>  <PCAT_CMPD_ID> (3,128)
CL-415836

>  <CNC_ID> (3,128)
359313611

>  <transfer_container_id> (3,128)
PTN000000065

>  <COMPOUND_NUMBER> (3,128)
CL-415836

>  <LOCATION_CODE> (3,128)
PTNCS

>  <AMOUNT_CURRENT> (3,128)
33.5

$$$$
WAY-344271
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,129)
3132

>  <Formula> (3,129)
C20H15N3O2S

>  <MolWeight> (3,129)
361.417

>  <PCAT_CMPD_ID> (3,129)
WAY-344271

>  <CNC_ID> (3,129)
359319609

>  <transfer_container_id> (3,129)
PTN000000065

>  <COMPOUND_NUMBER> (3,129)
WAY-344271

>  <LOCATION_CODE> (3,129)
PTNCS

>  <AMOUNT_CURRENT> (3,129)
29.3

$$$$
WAY-340134
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 17  9  1  0  0  0  0
 21 16  1  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,130)
3133

>  <Formula> (3,130)
C20H24N4S

>  <MolWeight> (3,130)
352.49636

>  <PCAT_CMPD_ID> (3,130)
WAY-340134

>  <CNC_ID> (3,130)
359318875

>  <transfer_container_id> (3,130)
PTN000000065

>  <COMPOUND_NUMBER> (3,130)
WAY-340134

>  <LOCATION_CODE> (3,130)
PTNCS

>  <AMOUNT_CURRENT> (3,130)
32.4

$$$$
WAY-311733
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  5  7  2  0  0  0  0
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 16 17  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,131)
3134

>  <Formula> (3,131)
C16H13N3S2

>  <MolWeight> (3,131)
311.42452

>  <PCAT_CMPD_ID> (3,131)
WAY-311733

>  <CNC_ID> (3,131)
359315474

>  <transfer_container_id> (3,131)
PTN000000065

>  <COMPOUND_NUMBER> (3,131)
WAY-311733

>  <LOCATION_CODE> (3,131)
PTNCS

>  <AMOUNT_CURRENT> (3,131)
33.9

$$$$
WAY-313249
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,132)
3135

>  <Formula> (3,132)
C16H9NO2S

>  <MolWeight> (3,132)
279.31316

>  <PCAT_CMPD_ID> (3,132)
WAY-313249

>  <CNC_ID> (3,132)
359328285

>  <transfer_container_id> (3,132)
PTN000000067

>  <COMPOUND_NUMBER> (3,132)
WAY-313249

>  <LOCATION_CODE> (3,132)
PTNCS

>  <AMOUNT_CURRENT> (3,132)
33.6

$$$$
WAY-310841
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,133)
3136

>  <Formula> (3,133)
C14H18N2O

>  <MolWeight> (3,133)
230.30552

>  <PCAT_CMPD_ID> (3,133)
WAY-310841

>  <CNC_ID> (3,133)
359314583

>  <transfer_container_id> (3,133)
PTN000000065

>  <COMPOUND_NUMBER> (3,133)
WAY-310841

>  <LOCATION_CODE> (3,133)
PTNCS

>  <AMOUNT_CURRENT> (3,133)
33.3

$$$$
WAY-311149
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,134)
3137

>  <Formula> (3,134)
C16H14N2S

>  <MolWeight> (3,134)
266.36076

>  <PCAT_CMPD_ID> (3,134)
WAY-311149

>  <CNC_ID> (3,134)
359314890

>  <transfer_container_id> (3,134)
PTN000000065

>  <COMPOUND_NUMBER> (3,134)
WAY-311149

>  <LOCATION_CODE> (3,134)
PTNCS

>  <AMOUNT_CURRENT> (3,134)
33.5

$$$$
WAY-310711
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,135)
3138

>  <Formula> (3,135)
C16H19N3O

>  <MolWeight> (3,135)
269.34156

>  <PCAT_CMPD_ID> (3,135)
WAY-310711

>  <CNC_ID> (3,135)
359314452

>  <transfer_container_id> (3,135)
PTN000000065

>  <COMPOUND_NUMBER> (3,135)
WAY-310711

>  <LOCATION_CODE> (3,135)
PTNCS

>  <AMOUNT_CURRENT> (3,135)
33.8

$$$$
WAY-312321
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,136)
3139

>  <Formula> (3,136)
C14H14BrN3O2

>  <MolWeight> (3,136)
336.18386

>  <PCAT_CMPD_ID> (3,136)
WAY-312321

>  <CNC_ID> (3,136)
359316061

>  <transfer_container_id> (3,136)
PTN000000065

>  <COMPOUND_NUMBER> (3,136)
WAY-312321

>  <LOCATION_CODE> (3,136)
PTNCS

>  <AMOUNT_CURRENT> (3,136)
33.5

$$$$
CL-417811
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,137)
3140

>  <Formula> (3,137)
C14H20O4

>  <MolWeight> (3,137)
252.3062

>  <PCAT_CMPD_ID> (3,137)
CL-417811

>  <CNC_ID> (3,137)
359339924

>  <transfer_container_id> (3,137)
PTN000000068

>  <COMPOUND_NUMBER> (3,137)
CL-417811

>  <LOCATION_CODE> (3,137)
PTNCS

>  <AMOUNT_CURRENT> (3,137)
33

$$$$
GI-568041
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,138)
3141

>  <Formula> (3,138)
C21H17N3O3S2

>  <MolWeight> (3,138)
423.50798

>  <PCAT_CMPD_ID> (3,138)
GI-568041

>  <CNC_ID> (3,138)
359339994

>  <transfer_container_id> (3,138)
PTN000000068

>  <COMPOUND_NUMBER> (3,138)
GI-568041

>  <LOCATION_CODE> (3,138)
PTNCS

>  <AMOUNT_CURRENT> (3,138)
33.4

$$$$
WAY-116954-A
csChFnd80/10101909502D

 17 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,139)
3142

>  <Formula> (3,139)
C15H21NS

>  <MolWeight> (3,139)
247.39894

>  <PCAT_CMPD_ID> (3,139)
WAY-116954-A

>  <CNC_ID> (3,139)
359340064

>  <transfer_container_id> (3,139)
PTN000000068

>  <COMPOUND_NUMBER> (3,139)
WAY-116954-A

>  <LOCATION_CODE> (3,139)
PTNCS

>  <AMOUNT_CURRENT> (3,139)
33.2

$$$$
WAY-215688
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,140)
3143

>  <Formula> (3,140)
C17H23N5O3

>  <MolWeight> (3,140)
345.39622

>  <PCAT_CMPD_ID> (3,140)
WAY-215688

>  <CNC_ID> (3,140)
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>  <transfer_container_id> (3,140)
PTN000000068

>  <COMPOUND_NUMBER> (3,140)
WAY-215688

>  <LOCATION_CODE> (3,140)
PTNCS

>  <AMOUNT_CURRENT> (3,140)
33.2

$$$$
WAY-217614-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,141)
3144

>  <Formula> (3,141)
C16H11NO2

>  <MolWeight> (3,141)
249.26404

>  <PCAT_CMPD_ID> (3,141)
WAY-217614-A

>  <CNC_ID> (3,141)
359340138

>  <transfer_container_id> (3,141)
PTN000000068

>  <COMPOUND_NUMBER> (3,141)
WAY-217614-A

>  <LOCATION_CODE> (3,141)
PTNCS

>  <AMOUNT_CURRENT> (3,141)
33.3

$$$$
WAY-218720
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,142)
3145

>  <Formula> (3,142)
C19H17F3N2O4S

>  <MolWeight> (3,142)
426.4094896

>  <PCAT_CMPD_ID> (3,142)
WAY-218720

>  <CNC_ID> (3,142)
359340150

>  <transfer_container_id> (3,142)
PTN000000068

>  <COMPOUND_NUMBER> (3,142)
WAY-218720

>  <LOCATION_CODE> (3,142)
PTNCS

>  <AMOUNT_CURRENT> (3,142)
33.4

$$$$
WAY-234050
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,143)
3146

>  <Formula> (3,143)
C15H17N5O4S

>  <MolWeight> (3,143)
363.39158

>  <PCAT_CMPD_ID> (3,143)
WAY-234050

>  <CNC_ID> (3,143)
359340269

>  <transfer_container_id> (3,143)
PTN000000068

>  <COMPOUND_NUMBER> (3,143)
WAY-234050

>  <LOCATION_CODE> (3,143)
PTNCS

>  <AMOUNT_CURRENT> (3,143)
33.1

$$$$
WAY-241394
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,144)
3147

>  <Formula> (3,144)
C15H22N4O3

>  <MolWeight> (3,144)
306.36018

>  <PCAT_CMPD_ID> (3,144)
WAY-241394

>  <CNC_ID> (3,144)
359340363

>  <transfer_container_id> (3,144)
PTN000000068

>  <COMPOUND_NUMBER> (3,144)
WAY-241394

>  <LOCATION_CODE> (3,144)
PTNCS

>  <AMOUNT_CURRENT> (3,144)
33.1

$$$$
WAY-296484
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,145)
3148

>  <Formula> (3,145)
C19H14ClNO4S2

>  <MolWeight> (3,145)
419.90176

>  <PCAT_CMPD_ID> (3,145)
WAY-296484

>  <CNC_ID> (3,145)
359342928

>  <transfer_container_id> (3,145)
PTN000000068

>  <COMPOUND_NUMBER> (3,145)
WAY-296484

>  <LOCATION_CODE> (3,145)
PTNCS

>  <AMOUNT_CURRENT> (3,145)
33.3

$$$$
WAY-296565
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,146)
3149

>  <Formula> (3,146)
C21H27N3O5S2

>  <MolWeight> (3,146)
465.58618

>  <PCAT_CMPD_ID> (3,146)
WAY-296565

>  <CNC_ID> (3,146)
359343009

>  <transfer_container_id> (3,146)
PTN000000068

>  <COMPOUND_NUMBER> (3,146)
WAY-296565

>  <LOCATION_CODE> (3,146)
PTNCS

>  <AMOUNT_CURRENT> (3,146)
33.3

$$$$
WAY-296708
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,147)
3150

>  <Formula> (3,147)
C14H10INO2

>  <MolWeight> (3,147)
351.13917

>  <PCAT_CMPD_ID> (3,147)
WAY-296708

>  <CNC_ID> (3,147)
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>  <transfer_container_id> (3,147)
PTN000000068

>  <COMPOUND_NUMBER> (3,147)
WAY-296708

>  <LOCATION_CODE> (3,147)
PTNCS

>  <AMOUNT_CURRENT> (3,147)
33

$$$$
WAY-296733
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,148)
3151

>  <Formula> (3,148)
C18H11FN2O4

>  <MolWeight> (3,148)
338.2893432

>  <PCAT_CMPD_ID> (3,148)
WAY-296733

>  <CNC_ID> (3,148)
359343177

>  <transfer_container_id> (3,148)
PTN000000068

>  <COMPOUND_NUMBER> (3,148)
WAY-296733

>  <LOCATION_CODE> (3,148)
PTNCS

>  <AMOUNT_CURRENT> (3,148)
33.4

$$$$
WAY-296811-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,149)
3152

>  <Formula> (3,149)
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>  <MolWeight> (3,149)
184.30174

>  <PCAT_CMPD_ID> (3,149)
WAY-296811-A

>  <CNC_ID> (3,149)
359343255

>  <transfer_container_id> (3,149)
PTN000000068

>  <COMPOUND_NUMBER> (3,149)
WAY-296811-A

>  <LOCATION_CODE> (3,149)
PTNCS

>  <AMOUNT_CURRENT> (3,149)
33.2

$$$$
WAY-296839
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,150)
3153

>  <Formula> (3,150)
C17H15BrN2O2

>  <MolWeight> (3,150)
359.2172

>  <PCAT_CMPD_ID> (3,150)
WAY-296839

>  <CNC_ID> (3,150)
359343283

>  <transfer_container_id> (3,150)
PTN000000068

>  <COMPOUND_NUMBER> (3,150)
WAY-296839

>  <LOCATION_CODE> (3,150)
PTNCS

>  <AMOUNT_CURRENT> (3,150)
33.3

$$$$
WAY-296848
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,151)
3154

>  <Formula> (3,151)
C22H27N3O5S

>  <MolWeight> (3,151)
445.53188

>  <PCAT_CMPD_ID> (3,151)
WAY-296848

>  <CNC_ID> (3,151)
359343292

>  <transfer_container_id> (3,151)
PTN000000068

>  <COMPOUND_NUMBER> (3,151)
WAY-296848

>  <LOCATION_CODE> (3,151)
PTNCS

>  <AMOUNT_CURRENT> (3,151)
33.5

$$$$
WAY-296862
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,152)
3155

>  <Formula> (3,152)
C13H9N3OS

>  <MolWeight> (3,152)
255.29506

>  <PCAT_CMPD_ID> (3,152)
WAY-296862

>  <CNC_ID> (3,152)
359343306

>  <transfer_container_id> (3,152)
PTN000000068

>  <COMPOUND_NUMBER> (3,152)
WAY-296862

>  <LOCATION_CODE> (3,152)
PTNCS

>  <AMOUNT_CURRENT> (3,152)
33.4

$$$$
WAY-296899
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 22 24  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,153)
3156

>  <Formula> (3,153)
C19H18N2O3

>  <MolWeight> (3,153)
322.35782

>  <PCAT_CMPD_ID> (3,153)
WAY-296899

>  <CNC_ID> (3,153)
359343343

>  <transfer_container_id> (3,153)
PTN000000068

>  <COMPOUND_NUMBER> (3,153)
WAY-296899

>  <LOCATION_CODE> (3,153)
PTNCS

>  <AMOUNT_CURRENT> (3,153)
33.3

$$$$
WAY-296934
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (3,154)
3157

>  <Formula> (3,154)
C18H11F3N4O2S

>  <MolWeight> (3,154)
404.3657496

>  <PCAT_CMPD_ID> (3,154)
WAY-296934

>  <CNC_ID> (3,154)
359343378

>  <transfer_container_id> (3,154)
PTN000000068

>  <COMPOUND_NUMBER> (3,154)
WAY-296934

>  <LOCATION_CODE> (3,154)
PTNCS

>  <AMOUNT_CURRENT> (3,154)
33.3

$$$$
WAY-296942
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,155)
3158

>  <Formula> (3,155)
C19H16N2

>  <MolWeight> (3,155)
272.34374

>  <PCAT_CMPD_ID> (3,155)
WAY-296942

>  <CNC_ID> (3,155)
359343386

>  <transfer_container_id> (3,155)
PTN000000068

>  <COMPOUND_NUMBER> (3,155)
WAY-296942

>  <LOCATION_CODE> (3,155)
PTNCS

>  <AMOUNT_CURRENT> (3,155)
33.4

$$$$
WAY-296964
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,156)
3159

>  <Formula> (3,156)
C16H14N2O2

>  <MolWeight> (3,156)
266.29456

>  <PCAT_CMPD_ID> (3,156)
WAY-296964

>  <CNC_ID> (3,156)
359343408

>  <transfer_container_id> (3,156)
PTN000000068

>  <COMPOUND_NUMBER> (3,156)
WAY-296964

>  <LOCATION_CODE> (3,156)
PTNCS

>  <AMOUNT_CURRENT> (3,156)
33.2

$$$$
WAY-297043
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,157)
3160

>  <Formula> (3,157)
C22H19BrN4OS

>  <MolWeight> (3,157)
467.38146

>  <PCAT_CMPD_ID> (3,157)
WAY-297043

>  <CNC_ID> (3,157)
359343487

>  <transfer_container_id> (3,157)
PTN000000068

>  <COMPOUND_NUMBER> (3,157)
WAY-297043

>  <LOCATION_CODE> (3,157)
PTNCS

>  <AMOUNT_CURRENT> (3,157)
33.5

$$$$
WAY-297277
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,158)
3161

>  <Formula> (3,158)
C20H19N5O2

>  <MolWeight> (3,158)
361.39716

>  <PCAT_CMPD_ID> (3,158)
WAY-297277

>  <CNC_ID> (3,158)
359343721

>  <transfer_container_id> (3,158)
PTN000000068

>  <COMPOUND_NUMBER> (3,158)
WAY-297277

>  <LOCATION_CODE> (3,158)
PTNCS

>  <AMOUNT_CURRENT> (3,158)
33.2

$$$$
WAY-297358
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,159)
3162

>  <Formula> (3,159)
C27H24N2O3S

>  <MolWeight> (3,159)
456.55606

>  <PCAT_CMPD_ID> (3,159)
WAY-297358

>  <CNC_ID> (3,159)
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>  <transfer_container_id> (3,159)
PTN000000068

>  <COMPOUND_NUMBER> (3,159)
WAY-297358

>  <LOCATION_CODE> (3,159)
PTNCS

>  <AMOUNT_CURRENT> (3,159)
33.4

$$$$
WAY-297373
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,160)
3163

>  <Formula> (3,160)
C18H14N2O3

>  <MolWeight> (3,160)
306.31536

>  <PCAT_CMPD_ID> (3,160)
WAY-297373

>  <CNC_ID> (3,160)
359343817

>  <transfer_container_id> (3,160)
PTN000000068

>  <COMPOUND_NUMBER> (3,160)
WAY-297373

>  <LOCATION_CODE> (3,160)
PTNCS

>  <AMOUNT_CURRENT> (3,160)
33.2

$$$$
WAY-297686
csChFnd80/10101909502D

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 21 23  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,161)
3164

>  <Formula> (3,161)
C18H16BrN3O

>  <MolWeight> (3,161)
370.24314

>  <PCAT_CMPD_ID> (3,161)
WAY-297686

>  <CNC_ID> (3,161)
359344130

>  <transfer_container_id> (3,161)
PTN000000068

>  <COMPOUND_NUMBER> (3,161)
WAY-297686

>  <LOCATION_CODE> (3,161)
PTNCS

>  <AMOUNT_CURRENT> (3,161)
33.3

$$$$
WAY-297687
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,162)
3165

>  <Formula> (3,162)
C21H22N2O2

>  <MolWeight> (3,162)
334.41158

>  <PCAT_CMPD_ID> (3,162)
WAY-297687

>  <CNC_ID> (3,162)
359344131

>  <transfer_container_id> (3,162)
PTN000000068

>  <COMPOUND_NUMBER> (3,162)
WAY-297687

>  <LOCATION_CODE> (3,162)
PTNCS

>  <AMOUNT_CURRENT> (3,162)
33.1

$$$$
WAY-297734
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,163)
3166

>  <Formula> (3,163)
C10H11ClN2O2S

>  <MolWeight> (3,163)
258.72454

>  <PCAT_CMPD_ID> (3,163)
WAY-297734

>  <CNC_ID> (3,163)
359344178

>  <transfer_container_id> (3,163)
PTN000000068

>  <COMPOUND_NUMBER> (3,163)
WAY-297734

>  <LOCATION_CODE> (3,163)
PTNCS

>  <AMOUNT_CURRENT> (3,163)
33.3

$$$$
WAY-297742-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,164)
3167

>  <Formula> (3,164)
C20H22FNO3

>  <MolWeight> (3,164)
343.3919832

>  <PCAT_CMPD_ID> (3,164)
WAY-297742-A

>  <CNC_ID> (3,164)
359344186

>  <transfer_container_id> (3,164)
PTN000000068

>  <COMPOUND_NUMBER> (3,164)
WAY-297742-A

>  <LOCATION_CODE> (3,164)
PTNCS

>  <AMOUNT_CURRENT> (3,164)
33.4

$$$$
WL-381128
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,165)
3168

>  <Formula> (3,165)
C13H15NO2

>  <MolWeight> (3,165)
217.2637

>  <PCAT_CMPD_ID> (3,165)
WL-381128

>  <CNC_ID> (3,165)
359353692

>  <transfer_container_id> (3,165)
PTN000000068

>  <COMPOUND_NUMBER> (3,165)
WL-381128

>  <LOCATION_CODE> (3,165)
PTNCS

>  <AMOUNT_CURRENT> (3,165)
33.3

$$$$
CL-322824
csChFnd80/10101909502D

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M  END
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3169

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289.71214

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CL-322824

>  <CNC_ID> (3,166)
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>  <transfer_container_id> (3,166)
PTN000000069

>  <COMPOUND_NUMBER> (3,166)
CL-322824

>  <LOCATION_CODE> (3,166)
PTNCS

>  <AMOUNT_CURRENT> (3,166)
33.1

$$$$
CL-403037
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,167)
3170

>  <Formula> (3,167)
C23H22N2O2S

>  <MolWeight> (3,167)
390.49798

>  <PCAT_CMPD_ID> (3,167)
CL-403037

>  <CNC_ID> (3,167)
359353745

>  <transfer_container_id> (3,167)
PTN000000069

>  <COMPOUND_NUMBER> (3,167)
CL-403037

>  <LOCATION_CODE> (3,167)
PTNCS

>  <AMOUNT_CURRENT> (3,167)
33.2

$$$$
CL-404129
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,168)
3171

>  <Formula> (3,168)
C23H16N4O2S

>  <MolWeight> (3,168)
412.46374

>  <PCAT_CMPD_ID> (3,168)
CL-404129

>  <CNC_ID> (3,168)
359353750

>  <transfer_container_id> (3,168)
PTN000000069

>  <COMPOUND_NUMBER> (3,168)
CL-404129

>  <LOCATION_CODE> (3,168)
PTNCS

>  <AMOUNT_CURRENT> (3,168)
33.2

$$$$
CL-408267
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,169)
3172

>  <Formula> (3,169)
C19H18N2O2

>  <MolWeight> (3,169)
306.35842

>  <PCAT_CMPD_ID> (3,169)
CL-408267

>  <CNC_ID> (3,169)
359353757

>  <transfer_container_id> (3,169)
PTN000000069

>  <COMPOUND_NUMBER> (3,169)
CL-408267

>  <LOCATION_CODE> (3,169)
PTNCS

>  <AMOUNT_CURRENT> (3,169)
33.2

$$$$
CL-426627
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,170)
3173

>  <Formula> (3,170)
C16H14N2O

>  <MolWeight> (3,170)
250.29516

>  <PCAT_CMPD_ID> (3,170)
CL-426627

>  <CNC_ID> (3,170)
359353807

>  <transfer_container_id> (3,170)
PTN000000069

>  <COMPOUND_NUMBER> (3,170)
CL-426627

>  <LOCATION_CODE> (3,170)
PTNCS

>  <AMOUNT_CURRENT> (3,170)
33.5

$$$$
CL-427134
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 13 18  1  0  0  0  0
 17 21  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,171)
3174

>  <Formula> (3,171)
C18H13N3O2

>  <MolWeight> (3,171)
303.31472

>  <PCAT_CMPD_ID> (3,171)
CL-427134

>  <CNC_ID> (3,171)
359353809

>  <transfer_container_id> (3,171)
PTN000000069

>  <COMPOUND_NUMBER> (3,171)
CL-427134

>  <LOCATION_CODE> (3,171)
PTNCS

>  <AMOUNT_CURRENT> (3,171)
33.2

$$$$
WAY-114090
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
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 14  6  1  0  0  0  0
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 16  8  1  0  0  0  0
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  3  4  1  0  0  0  0
 10  9  2  0  0  0  0
 13 12  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,172)
3175

>  <Formula> (3,172)
C15H11FN4O2S

>  <MolWeight> (3,172)
330.3368432

>  <PCAT_CMPD_ID> (3,172)
WAY-114090

>  <CNC_ID> (3,172)
359353893

>  <transfer_container_id> (3,172)
PTN000000069

>  <COMPOUND_NUMBER> (3,172)
WAY-114090

>  <LOCATION_CODE> (3,172)
PTNCS

>  <AMOUNT_CURRENT> (3,172)
30.9

$$$$
WAY-298019
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,173)
3176

>  <Formula> (3,173)
C25H26N2O5S

>  <MolWeight> (3,173)
466.54934

>  <PCAT_CMPD_ID> (3,173)
WAY-298019

>  <CNC_ID> (3,173)
359357013

>  <transfer_container_id> (3,173)
PTN000000069

>  <COMPOUND_NUMBER> (3,173)
WAY-298019

>  <LOCATION_CODE> (3,173)
PTNCS

>  <AMOUNT_CURRENT> (3,173)
33.2

$$$$
WAY-298020
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,174)
3177

>  <Formula> (3,174)
C16H12BrN3O2S

>  <MolWeight> (3,174)
390.25438

>  <PCAT_CMPD_ID> (3,174)
WAY-298020

>  <CNC_ID> (3,174)
359357014

>  <transfer_container_id> (3,174)
PTN000000069

>  <COMPOUND_NUMBER> (3,174)
WAY-298020

>  <LOCATION_CODE> (3,174)
PTNCS

>  <AMOUNT_CURRENT> (3,174)
33.2

$$$$
WAY-298034-A
csChFnd80/10101909502D

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 17 19  1  0  0  0  0
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 10 12  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,175)
3178

>  <Formula> (3,175)
C20H33N3

>  <MolWeight> (3,175)
315.49612

>  <PCAT_CMPD_ID> (3,175)
WAY-298034-A

>  <CNC_ID> (3,175)
359357028

>  <transfer_container_id> (3,175)
PTN000000069

>  <COMPOUND_NUMBER> (3,175)
WAY-298034-A

>  <LOCATION_CODE> (3,175)
PTNCS

>  <AMOUNT_CURRENT> (3,175)
33.1

$$$$
WAY-298080
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  5  6  2  0  0  0  0
 15 18  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,176)
3179

>  <Formula> (3,176)
C20H22ClN3OS

>  <MolWeight> (3,176)
387.92618

>  <PCAT_CMPD_ID> (3,176)
WAY-298080

>  <CNC_ID> (3,176)
359357074

>  <transfer_container_id> (3,176)
PTN000000069

>  <COMPOUND_NUMBER> (3,176)
WAY-298080

>  <LOCATION_CODE> (3,176)
PTNCS

>  <AMOUNT_CURRENT> (3,176)
33.5

$$$$
WAY-298081
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (3,177)
3180

>  <Formula> (3,177)
C19H20F3N3OS

>  <MolWeight> (3,177)
395.4418096

>  <PCAT_CMPD_ID> (3,177)
WAY-298081

>  <CNC_ID> (3,177)
359357075

>  <transfer_container_id> (3,177)
PTN000000069

>  <COMPOUND_NUMBER> (3,177)
WAY-298081

>  <LOCATION_CODE> (3,177)
PTNCS

>  <AMOUNT_CURRENT> (3,177)
33.4

$$$$
WAY-298090
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,178)
3181

>  <Formula> (3,178)
C13H9NO2S

>  <MolWeight> (3,178)
243.28106

>  <PCAT_CMPD_ID> (3,178)
WAY-298090

>  <CNC_ID> (3,178)
359357084

>  <transfer_container_id> (3,178)
PTN000000069

>  <COMPOUND_NUMBER> (3,178)
WAY-298090

>  <LOCATION_CODE> (3,178)
PTNCS

>  <AMOUNT_CURRENT> (3,178)
33.4

$$$$
WAY-298093
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,179)
3182

>  <Formula> (3,179)
C11H8BrN3O

>  <MolWeight> (3,179)
278.10472

>  <PCAT_CMPD_ID> (3,179)
WAY-298093

>  <CNC_ID> (3,179)
359357087

>  <transfer_container_id> (3,179)
PTN000000069

>  <COMPOUND_NUMBER> (3,179)
WAY-298093

>  <LOCATION_CODE> (3,179)
PTNCS

>  <AMOUNT_CURRENT> (3,179)
33.5

$$$$
WAY-117565-A
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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 11 12  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,180)
3183

>  <Formula> (3,180)
C17H18FNO

>  <MolWeight> (3,180)
271.3293232

>  <PCAT_CMPD_ID> (3,180)
WAY-117565-A

>  <CNC_ID> (3,180)
359353931

>  <transfer_container_id> (3,180)
PTN000000069

>  <COMPOUND_NUMBER> (3,180)
WAY-117565-A

>  <LOCATION_CODE> (3,180)
PTNCS

>  <AMOUNT_CURRENT> (3,180)
33.1

$$$$
WAY-117985
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 12  5  2  0  0  0  0
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M  END
>  <Mol_ID> (3,181)
3184

>  <Formula> (3,181)
C20H30N2O3

>  <MolWeight> (3,181)
346.4638

>  <PCAT_CMPD_ID> (3,181)
WAY-117985

>  <CNC_ID> (3,181)
359353941

>  <transfer_container_id> (3,181)
PTN000000069

>  <COMPOUND_NUMBER> (3,181)
WAY-117985

>  <LOCATION_CODE> (3,181)
PTNCS

>  <AMOUNT_CURRENT> (3,181)
33.5

$$$$
WAY-119189
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,182)
3185

>  <Formula> (3,182)
C15H16N2O3S

>  <MolWeight> (3,182)
304.36414

>  <PCAT_CMPD_ID> (3,182)
WAY-119189

>  <CNC_ID> (3,182)
359353978

>  <transfer_container_id> (3,182)
PTN000000069

>  <COMPOUND_NUMBER> (3,182)
WAY-119189

>  <LOCATION_CODE> (3,182)
PTNCS

>  <AMOUNT_CURRENT> (3,182)
33.2

$$$$
WAY-224878
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11 15  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,183)
3186

>  <Formula> (3,183)
C17H14N2O2

>  <MolWeight> (3,183)
278.30526

>  <PCAT_CMPD_ID> (3,183)
WAY-224878

>  <CNC_ID> (3,183)
359354054

>  <transfer_container_id> (3,183)
PTN000000069

>  <COMPOUND_NUMBER> (3,183)
WAY-224878

>  <LOCATION_CODE> (3,183)
PTNCS

>  <AMOUNT_CURRENT> (3,183)
33.2

$$$$
WAY-225882
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,184)
3187

>  <Formula> (3,184)
C8H6Br2N4O

>  <MolWeight> (3,184)
333.96744

>  <PCAT_CMPD_ID> (3,184)
WAY-225882

>  <CNC_ID> (3,184)
359354060

>  <transfer_container_id> (3,184)
PTN000000069

>  <COMPOUND_NUMBER> (3,184)
WAY-225882

>  <LOCATION_CODE> (3,184)
PTNCS

>  <AMOUNT_CURRENT> (3,184)
33.4

$$$$
WAY-239087
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,185)
3188

>  <Formula> (3,185)
C11H12N2OS

>  <MolWeight> (3,185)
220.29078

>  <PCAT_CMPD_ID> (3,185)
WAY-239087

>  <CNC_ID> (3,185)
359354190

>  <transfer_container_id> (3,185)
PTN000000069

>  <COMPOUND_NUMBER> (3,185)
WAY-239087

>  <LOCATION_CODE> (3,185)
PTNCS

>  <AMOUNT_CURRENT> (3,185)
33.1

$$$$
WAY-298158
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,186)
3189

>  <Formula> (3,186)
C15H21NO2

>  <MolWeight> (3,186)
247.33274

>  <PCAT_CMPD_ID> (3,186)
WAY-298158

>  <CNC_ID> (3,186)
359357152

>  <transfer_container_id> (3,186)
PTN000000069

>  <COMPOUND_NUMBER> (3,186)
WAY-298158

>  <LOCATION_CODE> (3,186)
PTNCS

>  <AMOUNT_CURRENT> (3,186)
33

$$$$
WAY-298165
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,187)
3190

>  <Formula> (3,187)
C14H15N3O3

>  <MolWeight> (3,187)
273.2872

>  <PCAT_CMPD_ID> (3,187)
WAY-298165

>  <CNC_ID> (3,187)
359357159

>  <transfer_container_id> (3,187)
PTN000000069

>  <COMPOUND_NUMBER> (3,187)
WAY-298165

>  <LOCATION_CODE> (3,187)
PTNCS

>  <AMOUNT_CURRENT> (3,187)
33.1

$$$$
WAY-298186
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,188)
3191

>  <Formula> (3,188)
C16H16O3S

>  <MolWeight> (3,188)
288.36144

>  <PCAT_CMPD_ID> (3,188)
WAY-298186

>  <CNC_ID> (3,188)
359357180

>  <transfer_container_id> (3,188)
PTN000000069

>  <COMPOUND_NUMBER> (3,188)
WAY-298186

>  <LOCATION_CODE> (3,188)
PTNCS

>  <AMOUNT_CURRENT> (3,188)
33.3

$$$$
WAY-298187-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,189)
3192

>  <Formula> (3,189)
C13H17NO5

>  <MolWeight> (3,189)
267.27778

>  <PCAT_CMPD_ID> (3,189)
WAY-298187-A

>  <CNC_ID> (3,189)
359357181

>  <transfer_container_id> (3,189)
PTN000000069

>  <COMPOUND_NUMBER> (3,189)
WAY-298187-A

>  <LOCATION_CODE> (3,189)
PTNCS

>  <AMOUNT_CURRENT> (3,189)
33.1

$$$$
WAY-298220
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,190)
3193

>  <Formula> (3,190)
C11H14N4O5

>  <MolWeight> (3,190)
282.25266

>  <PCAT_CMPD_ID> (3,190)
WAY-298220

>  <CNC_ID> (3,190)
359357214

>  <transfer_container_id> (3,190)
PTN000000069

>  <COMPOUND_NUMBER> (3,190)
WAY-298220

>  <LOCATION_CODE> (3,190)
PTNCS

>  <AMOUNT_CURRENT> (3,190)
33.2

$$$$
WAY-298271
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,191)
3194

>  <Formula> (3,191)
C18H15NOS

>  <MolWeight> (3,191)
293.3828

>  <PCAT_CMPD_ID> (3,191)
WAY-298271

>  <CNC_ID> (3,191)
359357265

>  <transfer_container_id> (3,191)
PTN000000069

>  <COMPOUND_NUMBER> (3,191)
WAY-298271

>  <LOCATION_CODE> (3,191)
PTNCS

>  <AMOUNT_CURRENT> (3,191)
33.4

$$$$
WAY-298510
csChFnd80/10101909502D

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  9 13  2  0  0  0  0
 12 16  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,192)
3195

>  <Formula> (3,192)
C20H20N2O3S

>  <MolWeight> (3,192)
368.4494

>  <PCAT_CMPD_ID> (3,192)
WAY-298510

>  <CNC_ID> (3,192)
359357504

>  <transfer_container_id> (3,192)
PTN000000069

>  <COMPOUND_NUMBER> (3,192)
WAY-298510

>  <LOCATION_CODE> (3,192)
PTNCS

>  <AMOUNT_CURRENT> (3,192)
33.2

$$$$
WAY-298536
csChFnd80/10101909502D

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 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,193)
3196

>  <Formula> (3,193)
C21H21ClN2O5

>  <MolWeight> (3,193)
416.85484

>  <PCAT_CMPD_ID> (3,193)
WAY-298536

>  <CNC_ID> (3,193)
359357530

>  <transfer_container_id> (3,193)
PTN000000069

>  <COMPOUND_NUMBER> (3,193)
WAY-298536

>  <LOCATION_CODE> (3,193)
PTNCS

>  <AMOUNT_CURRENT> (3,193)
33.2

$$$$
WAY-298621-A
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,194)
3197

>  <Formula> (3,194)
C20H21Cl2NO

>  <MolWeight> (3,194)
362.29284

>  <PCAT_CMPD_ID> (3,194)
WAY-298621-A

>  <CNC_ID> (3,194)
359357615

>  <transfer_container_id> (3,194)
PTN000000069

>  <COMPOUND_NUMBER> (3,194)
WAY-298621-A

>  <LOCATION_CODE> (3,194)
PTNCS

>  <AMOUNT_CURRENT> (3,194)
33

$$$$
WAY-298676
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,195)
3198

>  <Formula> (3,195)
C14H12ClN3OS

>  <MolWeight> (3,195)
305.78258

>  <PCAT_CMPD_ID> (3,195)
WAY-298676

>  <CNC_ID> (3,195)
359357670

>  <transfer_container_id> (3,195)
PTN000000069

>  <COMPOUND_NUMBER> (3,195)
WAY-298676

>  <LOCATION_CODE> (3,195)
PTNCS

>  <AMOUNT_CURRENT> (3,195)
33.4

$$$$
WAY-298789
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,196)
3199

>  <Formula> (3,196)
C13H13NO2S

>  <MolWeight> (3,196)
247.31282

>  <PCAT_CMPD_ID> (3,196)
WAY-298789

>  <CNC_ID> (3,196)
359357783

>  <transfer_container_id> (3,196)
PTN000000069

>  <COMPOUND_NUMBER> (3,196)
WAY-298789

>  <LOCATION_CODE> (3,196)
PTNCS

>  <AMOUNT_CURRENT> (3,196)
33.2

$$$$
WAY-298823
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,197)
3200

>  <Formula> (3,197)
C16H19N5O4

>  <MolWeight> (3,197)
345.35316

>  <PCAT_CMPD_ID> (3,197)
WAY-298823

>  <CNC_ID> (3,197)
359357817

>  <transfer_container_id> (3,197)
PTN000000069

>  <COMPOUND_NUMBER> (3,197)
WAY-298823

>  <LOCATION_CODE> (3,197)
PTNCS

>  <AMOUNT_CURRENT> (3,197)
33.1

$$$$
WAY-298933
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,198)
3201

>  <Formula> (3,198)
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>  <MolWeight> (3,198)
351.17198

>  <PCAT_CMPD_ID> (3,198)
WAY-298933

>  <CNC_ID> (3,198)
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>  <transfer_container_id> (3,198)
PTN000000069

>  <COMPOUND_NUMBER> (3,198)
WAY-298933

>  <LOCATION_CODE> (3,198)
PTNCS

>  <AMOUNT_CURRENT> (3,198)
33.2

$$$$
WAY-298954
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,199)
3202

>  <Formula> (3,199)
C12H8BrN3OS

>  <MolWeight> (3,199)
322.18042

>  <PCAT_CMPD_ID> (3,199)
WAY-298954

>  <CNC_ID> (3,199)
359357948

>  <transfer_container_id> (3,199)
PTN000000069

>  <COMPOUND_NUMBER> (3,199)
WAY-298954

>  <LOCATION_CODE> (3,199)
PTNCS

>  <AMOUNT_CURRENT> (3,199)
33

$$$$
WAY-298992
csChFnd80/10101909502D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,200)
3203

>  <Formula> (3,200)
C8H12N2OS

>  <MolWeight> (3,200)
184.25868

>  <PCAT_CMPD_ID> (3,200)
WAY-298992

>  <CNC_ID> (3,200)
359357986

>  <transfer_container_id> (3,200)
PTN000000069

>  <COMPOUND_NUMBER> (3,200)
WAY-298992

>  <LOCATION_CODE> (3,200)
PTNCS

>  <AMOUNT_CURRENT> (3,200)
33.4

$$$$
WAY-299034-A
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,201)
3204

>  <Formula> (3,201)
C12H16N2

>  <MolWeight> (3,201)
188.26884

>  <PCAT_CMPD_ID> (3,201)
WAY-299034-A

>  <CNC_ID> (3,201)
359358028

>  <transfer_container_id> (3,201)
PTN000000069

>  <COMPOUND_NUMBER> (3,201)
WAY-299034-A

>  <LOCATION_CODE> (3,201)
PTNCS

>  <AMOUNT_CURRENT> (3,201)
33.4

$$$$
WAY-299055
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,202)
3205

>  <Formula> (3,202)
C13H11ClN2O3S

>  <MolWeight> (3,202)
310.75604

>  <PCAT_CMPD_ID> (3,202)
WAY-299055

>  <CNC_ID> (3,202)
359358049

>  <transfer_container_id> (3,202)
PTN000000069

>  <COMPOUND_NUMBER> (3,202)
WAY-299055

>  <LOCATION_CODE> (3,202)
PTNCS

>  <AMOUNT_CURRENT> (3,202)
33.5

$$$$
WAY-299207
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,203)
3206

>  <Formula> (3,203)
C15H19N3O

>  <MolWeight> (3,203)
257.33086

>  <PCAT_CMPD_ID> (3,203)
WAY-299207

>  <CNC_ID> (3,203)
359358201

>  <transfer_container_id> (3,203)
PTN000000069

>  <COMPOUND_NUMBER> (3,203)
WAY-299207

>  <LOCATION_CODE> (3,203)
PTNCS

>  <AMOUNT_CURRENT> (3,203)
33

$$$$
WAY-299406
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,204)
3207

>  <Formula> (3,204)
C18H16O8

>  <MolWeight> (3,204)
360.31484

>  <PCAT_CMPD_ID> (3,204)
WAY-299406

>  <CNC_ID> (3,204)
359358400

>  <transfer_container_id> (3,204)
PTN000000069

>  <COMPOUND_NUMBER> (3,204)
WAY-299406

>  <LOCATION_CODE> (3,204)
PTNCS

>  <AMOUNT_CURRENT> (3,204)
33.3

$$$$
WAY-339221
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 15  2  0  0  0  0
 11  2  2  0  0  0  0
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 13  6  2  0  0  0  0
 14  3  2  0  0  0  0
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 16  9  1  0  0  0  0
 17  9  2  0  0  0  0
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 19 21  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,205)
3208

>  <Formula> (3,205)
C15H7Br2ClO4S

>  <MolWeight> (3,205)
478.53968

>  <PCAT_CMPD_ID> (3,205)
WAY-339221

>  <CNC_ID> (3,205)
359359838

>  <transfer_container_id> (3,205)
PTN000000075

>  <COMPOUND_NUMBER> (3,205)
WAY-339221

>  <LOCATION_CODE> (3,205)
PTNCS

>  <AMOUNT_CURRENT> (3,205)
31

$$$$
WAY-382546
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 13  5  1  0  0  0  0
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 17 16  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,206)
3209

>  <Formula> (3,206)
C14H17N3

>  <MolWeight> (3,206)
227.30488

>  <PCAT_CMPD_ID> (3,206)
WAY-382546

>  <CNC_ID> (3,206)
359360710

>  <transfer_container_id> (3,206)
PTN000000069

>  <COMPOUND_NUMBER> (3,206)
WAY-382546

>  <LOCATION_CODE> (3,206)
PTNCS

>  <AMOUNT_CURRENT> (3,206)
22.2

$$$$
WAY-382776
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,207)
3210

>  <Formula> (3,207)
C19H14ClNO5S

>  <MolWeight> (3,207)
403.83616

>  <PCAT_CMPD_ID> (3,207)
WAY-382776

>  <CNC_ID> (3,207)
359360935

>  <transfer_container_id> (3,207)
PTN000000069

>  <COMPOUND_NUMBER> (3,207)
WAY-382776

>  <LOCATION_CODE> (3,207)
PTNCS

>  <AMOUNT_CURRENT> (3,207)
32.3

$$$$
WAY-382781
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,208)
3211

>  <Formula> (3,208)
C18H14F3NO6

>  <MolWeight> (3,208)
397.3020696

>  <PCAT_CMPD_ID> (3,208)
WAY-382781

>  <CNC_ID> (3,208)
359360940

>  <transfer_container_id> (3,208)
PTN000000069

>  <COMPOUND_NUMBER> (3,208)
WAY-382781

>  <LOCATION_CODE> (3,208)
PTNCS

>  <AMOUNT_CURRENT> (3,208)
32.6

$$$$
WAY-382814
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,209)
3212

>  <Formula> (3,209)
C22H14F2N2O3S

>  <MolWeight> (3,209)
424.4199664

>  <PCAT_CMPD_ID> (3,209)
WAY-382814

>  <CNC_ID> (3,209)
359360958

>  <transfer_container_id> (3,209)
PTN000000069

>  <COMPOUND_NUMBER> (3,209)
WAY-382814

>  <LOCATION_CODE> (3,209)
PTNCS

>  <AMOUNT_CURRENT> (3,209)
32.4

$$$$
CL-419043
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,210)
3213

>  <Formula> (3,210)
C12H6ClF3N4OS

>  <MolWeight> (3,210)
346.7154496

>  <PCAT_CMPD_ID> (3,210)
CL-419043

>  <CNC_ID> (3,210)
359367470

>  <transfer_container_id> (3,210)
PTN000000070

>  <COMPOUND_NUMBER> (3,210)
CL-419043

>  <LOCATION_CODE> (3,210)
PTNCS

>  <AMOUNT_CURRENT> (3,210)
33.2

$$$$
WAY-218589
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 15  6  1  0  0  0  0
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 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,211)
3214

>  <Formula> (3,211)
C15H19N5O2

>  <MolWeight> (3,211)
301.34366

>  <PCAT_CMPD_ID> (3,211)
WAY-218589

>  <CNC_ID> (3,211)
359367711

>  <transfer_container_id> (3,211)
PTN000000070

>  <COMPOUND_NUMBER> (3,211)
WAY-218589

>  <LOCATION_CODE> (3,211)
PTNCS

>  <AMOUNT_CURRENT> (3,211)
33.1

$$$$
WAY-231001
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,212)
3215

>  <Formula> (3,212)
C16H13NO2

>  <MolWeight> (3,212)
251.27992

>  <PCAT_CMPD_ID> (3,212)
WAY-231001

>  <CNC_ID> (3,212)
359367777

>  <transfer_container_id> (3,212)
PTN000000070

>  <COMPOUND_NUMBER> (3,212)
WAY-231001

>  <LOCATION_CODE> (3,212)
PTNCS

>  <AMOUNT_CURRENT> (3,212)
33.5

$$$$
WAY-249282
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,213)
3216

>  <Formula> (3,213)
C14H15N3O

>  <MolWeight> (3,213)
241.2884

>  <PCAT_CMPD_ID> (3,213)
WAY-249282

>  <CNC_ID> (3,213)
359367964

>  <transfer_container_id> (3,213)
PTN000000070

>  <COMPOUND_NUMBER> (3,213)
WAY-249282

>  <LOCATION_CODE> (3,213)
PTNCS

>  <AMOUNT_CURRENT> (3,213)
31.3

$$$$
WAY-299817
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 13 15  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,214)
3217

>  <Formula> (3,214)
C22H18O4

>  <MolWeight> (3,214)
346.37592

>  <PCAT_CMPD_ID> (3,214)
WAY-299817

>  <CNC_ID> (3,214)
359370494

>  <transfer_container_id> (3,214)
PTN000000070

>  <COMPOUND_NUMBER> (3,214)
WAY-299817

>  <LOCATION_CODE> (3,214)
PTNCS

>  <AMOUNT_CURRENT> (3,214)
33.2

$$$$
WAY-300754
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,215)
3218

>  <Formula> (3,215)
C17H15ClN2O3

>  <MolWeight> (3,215)
330.7656

>  <PCAT_CMPD_ID> (3,215)
WAY-300754

>  <CNC_ID> (3,215)
359371395

>  <transfer_container_id> (3,215)
PTN000000070

>  <COMPOUND_NUMBER> (3,215)
WAY-300754

>  <LOCATION_CODE> (3,215)
PTNCS

>  <AMOUNT_CURRENT> (3,215)
33.1

$$$$
WAY-301386
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,216)
3219

>  <Formula> (3,216)
C14H19NO4

>  <MolWeight> (3,216)
265.30496

>  <PCAT_CMPD_ID> (3,216)
WAY-301386

>  <CNC_ID> (3,216)
359371724

>  <transfer_container_id> (3,216)
PTN000000070

>  <COMPOUND_NUMBER> (3,216)
WAY-301386

>  <LOCATION_CODE> (3,216)
PTNCS

>  <AMOUNT_CURRENT> (3,216)
33.3

$$$$
WAY-301546
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,217)
3220

>  <Formula> (3,217)
C13H15ClN2O2

>  <MolWeight> (3,217)
266.7234

>  <PCAT_CMPD_ID> (3,217)
WAY-301546

>  <CNC_ID> (3,217)
359371884

>  <transfer_container_id> (3,217)
PTN000000070

>  <COMPOUND_NUMBER> (3,217)
WAY-301546

>  <LOCATION_CODE> (3,217)
PTNCS

>  <AMOUNT_CURRENT> (3,217)
33.3

$$$$
WAY-384621
csChFnd80/10101909502D

 28 32  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
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 14  4  2  0  0  0  0
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 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (3,218)
3221

>  <Formula> (3,218)
C21H13N3O2S2

>  <MolWeight> (3,218)
403.47682

>  <PCAT_CMPD_ID> (3,218)
WAY-384621

>  <CNC_ID> (3,218)
359372101

>  <transfer_container_id> (3,218)
PTN000000070

>  <COMPOUND_NUMBER> (3,218)
WAY-384621

>  <LOCATION_CODE> (3,218)
PTNCS

>  <AMOUNT_CURRENT> (3,218)
26.5

$$$$
WAY-388287
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,219)
3222

>  <Formula> (3,219)
C17H15FN2O2

>  <MolWeight> (3,219)
298.3116032

>  <PCAT_CMPD_ID> (3,219)
WAY-388287

>  <CNC_ID> (3,219)
359372430

>  <transfer_container_id> (3,219)
PTN000000070

>  <COMPOUND_NUMBER> (3,219)
WAY-388287

>  <LOCATION_CODE> (3,219)
PTNCS

>  <AMOUNT_CURRENT> (3,219)
29.3

$$$$
WAY-388317
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  4  1  0  0  0  0
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 19  2  1  0  0  0  0
 20  2  1  0  0  0  0
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 23 14  1  0  0  0  0
 17 14  2  0  0  0  0
  8  5  1  0  0  0  0
  7 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,220)
3223

>  <Formula> (3,220)
C18H21N3O2

>  <MolWeight> (3,220)
311.37824

>  <PCAT_CMPD_ID> (3,220)
WAY-388317

>  <CNC_ID> (3,220)
359372458

>  <transfer_container_id> (3,220)
PTN000000070

>  <COMPOUND_NUMBER> (3,220)
WAY-388317

>  <LOCATION_CODE> (3,220)
PTNCS

>  <AMOUNT_CURRENT> (3,220)
32.3

$$$$
WAY-388351
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
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 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
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 18 10  1  0  0  0  0
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 26 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,221)
3224

>  <Formula> (3,221)
C23H23NO2

>  <MolWeight> (3,221)
345.43422

>  <PCAT_CMPD_ID> (3,221)
WAY-388351

>  <CNC_ID> (3,221)
359372491

>  <transfer_container_id> (3,221)
PTN000000070

>  <COMPOUND_NUMBER> (3,221)
WAY-388351

>  <LOCATION_CODE> (3,221)
PTNCS

>  <AMOUNT_CURRENT> (3,221)
27.4

$$$$
WAY-388582
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
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 25 20  1  0  0  0  0
  4  8  1  0  0  0  0
 24 20  1  0  0  0  0
 10  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,222)
3225

>  <Formula> (3,222)
C19H22N4OS

>  <MolWeight> (3,222)
354.46918

>  <PCAT_CMPD_ID> (3,222)
WAY-388582

>  <CNC_ID> (3,222)
359372720

>  <transfer_container_id> (3,222)
PTN000000070

>  <COMPOUND_NUMBER> (3,222)
WAY-388582

>  <LOCATION_CODE> (3,222)
PTNCS

>  <AMOUNT_CURRENT> (3,222)
26.8

$$$$
WAY-388620
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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M  END
>  <Mol_ID> (3,223)
3226

>  <Formula> (3,223)
C11H8ClNO2S

>  <MolWeight> (3,223)
253.70472

>  <PCAT_CMPD_ID> (3,223)
WAY-388620

>  <CNC_ID> (3,223)
359372758

>  <transfer_container_id> (3,223)
PTN000000070

>  <COMPOUND_NUMBER> (3,223)
WAY-388620

>  <LOCATION_CODE> (3,223)
PTNCS

>  <AMOUNT_CURRENT> (3,223)
29.4

$$$$
WAY-389134
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 25 17  1  0  0  0  0
 26  7  1  0  0  0  0
 27 14  1  0  0  0  0
 28 15  1  0  0  0  0
 29 27  1  0  0  0  0
  3 12  1  0  0  0  0
  9 24  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,224)
3227

>  <Formula> (3,224)
C20H21ClF3N3O2

>  <MolWeight> (3,224)
427.8478496

>  <PCAT_CMPD_ID> (3,224)
WAY-389134

>  <CNC_ID> (3,224)
359373264

>  <transfer_container_id> (3,224)
PTN000000070

>  <COMPOUND_NUMBER> (3,224)
WAY-389134

>  <LOCATION_CODE> (3,224)
PTNCS

>  <AMOUNT_CURRENT> (3,224)
32.9

$$$$
WAY-389187
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  3  5  1  0  0  0  0
  4  3  1  0  0  0  0
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  8  1  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  4  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15  1  1  0  0  0  0
 16 14  2  0  0  0  0
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 18  8  1  0  0  0  0
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 20  5  1  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 18 22  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,225)
3228

>  <Formula> (3,225)
C18H27N3O3

>  <MolWeight> (3,225)
333.42528

>  <PCAT_CMPD_ID> (3,225)
WAY-389187

>  <CNC_ID> (3,225)
359373314

>  <transfer_container_id> (3,225)
PTN000000070

>  <COMPOUND_NUMBER> (3,225)
WAY-389187

>  <LOCATION_CODE> (3,225)
PTNCS

>  <AMOUNT_CURRENT> (3,225)
32.7

$$$$
WAY-389190
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  7  1  1  0  0  0  0
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  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  8  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 12  2  0  0  0  0
 17 12  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
  9  8  2  0  0  0  0
  5  6  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,226)
3229

>  <Formula> (3,226)
C15H12N2OS2

>  <MolWeight> (3,226)
300.39858

>  <PCAT_CMPD_ID> (3,226)
WAY-389190

>  <CNC_ID> (3,226)
359373317

>  <transfer_container_id> (3,226)
PTN000000070

>  <COMPOUND_NUMBER> (3,226)
WAY-389190

>  <LOCATION_CODE> (3,226)
PTNCS

>  <AMOUNT_CURRENT> (3,226)
29.3

$$$$
WAY-389202
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  5  1  0  0  0  0
 14  2  2  0  0  0  0
 15 26  1  0  0  0  0
 16  9  1  0  0  0  0
 17  3  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  2  0  0  0  0
 20 13  1  0  0  0  0
 21 22  2  0  0  0  0
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 23  6  1  0  0  0  0
 24  6  1  0  0  0  0
 25  6  1  0  0  0  0
 26 18  1  0  0  0  0
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 28 14  1  0  0  0  0
 27 15  1  0  0  0  0
 10 21  1  0  0  0  0
 20 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,227)
3230

>  <Formula> (3,227)
C16H15ClF3N3O3S2

>  <MolWeight> (3,227)
453.8868096

>  <PCAT_CMPD_ID> (3,227)
WAY-389202

>  <CNC_ID> (3,227)
359373327

>  <transfer_container_id> (3,227)
PTN000000070

>  <COMPOUND_NUMBER> (3,227)
WAY-389202

>  <LOCATION_CODE> (3,227)
PTNCS

>  <AMOUNT_CURRENT> (3,227)
32.3

$$$$
WAY-389275
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11 13  1  0  0  0  0
 12  3  2  0  0  0  0
 13 17  1  0  0  0  0
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 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
 17 20  1  0  0  0  0
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 23  9  1  0  0  0  0
 24 11  1  0  0  0  0
  8 10  2  0  0  0  0
  4  6  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,228)
3231

>  <Formula> (3,228)
C18H17N3O3

>  <MolWeight> (3,228)
323.34588

>  <PCAT_CMPD_ID> (3,228)
WAY-389275

>  <CNC_ID> (3,228)
359373400

>  <transfer_container_id> (3,228)
PTN000000070

>  <COMPOUND_NUMBER> (3,228)
WAY-389275

>  <LOCATION_CODE> (3,228)
PTNCS

>  <AMOUNT_CURRENT> (3,228)
29.4

$$$$
WAY-389317
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 16  7  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,229)
3232

>  <Formula> (3,229)
C17H20N4O3

>  <MolWeight> (3,229)
328.3657

>  <PCAT_CMPD_ID> (3,229)
WAY-389317

>  <CNC_ID> (3,229)
359373442

>  <transfer_container_id> (3,229)
PTN000000070

>  <COMPOUND_NUMBER> (3,229)
WAY-389317

>  <LOCATION_CODE> (3,229)
PTNCS

>  <AMOUNT_CURRENT> (3,229)
32.1

$$$$
WAY-389330
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13  4  2  0  0  0  0
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 23 14  1  0  0  0  0
  9  8  2  0  0  0  0
  4  6  1  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,230)
3233

>  <Formula> (3,230)
C16H11Cl2FN2OS

>  <MolWeight> (3,230)
369.2407432

>  <PCAT_CMPD_ID> (3,230)
WAY-389330

>  <CNC_ID> (3,230)
359373455

>  <transfer_container_id> (3,230)
PTN000000070

>  <COMPOUND_NUMBER> (3,230)
WAY-389330

>  <LOCATION_CODE> (3,230)
PTNCS

>  <AMOUNT_CURRENT> (3,230)
32.2

$$$$
WAY-389431
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 11  2  2  0  0  0  0
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 15 10  1  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18 12  1  0  0  0  0
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 20  6  1  0  0  0  0
 21 20  2  0  0  0  0
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 14  9  2  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,231)
3234

>  <Formula> (3,231)
C15H13BrN2O4

>  <MolWeight> (3,231)
365.17872

>  <PCAT_CMPD_ID> (3,231)
WAY-389431

>  <CNC_ID> (3,231)
359373556

>  <transfer_container_id> (3,231)
PTN000000070

>  <COMPOUND_NUMBER> (3,231)
WAY-389431

>  <LOCATION_CODE> (3,231)
PTNCS

>  <AMOUNT_CURRENT> (3,231)
32.4

$$$$
WAY-389480
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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 12  6  2  0  0  0  0
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 11 13  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,232)
3235

>  <Formula> (3,232)
C15H19Cl2NO

>  <MolWeight> (3,232)
300.22346

>  <PCAT_CMPD_ID> (3,232)
WAY-389480

>  <CNC_ID> (3,232)
359373605

>  <transfer_container_id> (3,232)
PTN000000070

>  <COMPOUND_NUMBER> (3,232)
WAY-389480

>  <LOCATION_CODE> (3,232)
PTNCS

>  <AMOUNT_CURRENT> (3,232)
32.7

$$$$
WAY-389750
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 15  1  1  0  0  0  0
 16  9  1  0  0  0  0
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 14  8  1  0  0  0  0
 18 24  1  0  0  0  0
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M  END
>  <Mol_ID> (3,233)
3236

>  <Formula> (3,233)
C20H17N3O4

>  <MolWeight> (3,233)
363.36668

>  <PCAT_CMPD_ID> (3,233)
WAY-389750

>  <CNC_ID> (3,233)
359373866

>  <transfer_container_id> (3,233)
PTN000000070

>  <COMPOUND_NUMBER> (3,233)
WAY-389750

>  <LOCATION_CODE> (3,233)
PTNCS

>  <AMOUNT_CURRENT> (3,233)
32.7

$$$$
WAY-389794
csChFnd80/10101909502D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,234)
3237

>  <Formula> (3,234)
C22H27N3O4S2

>  <MolWeight> (3,234)
461.59748

>  <PCAT_CMPD_ID> (3,234)
WAY-389794

>  <CNC_ID> (3,234)
359373536

>  <transfer_container_id> (3,234)
PTN000000070

>  <COMPOUND_NUMBER> (3,234)
WAY-389794

>  <LOCATION_CODE> (3,234)
PTNCS

>  <AMOUNT_CURRENT> (3,234)
32.6

$$$$
WAY-389856
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,235)
3238

>  <Formula> (3,235)
C18H14Cl2N4OS

>  <MolWeight> (3,235)
405.30096

>  <PCAT_CMPD_ID> (3,235)
WAY-389856

>  <CNC_ID> (3,235)
359373965

>  <transfer_container_id> (3,235)
PTN000000070

>  <COMPOUND_NUMBER> (3,235)
WAY-389856

>  <LOCATION_CODE> (3,235)
PTNCS

>  <AMOUNT_CURRENT> (3,235)
32.5

$$$$
CL-52065
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,236)
3239

>  <Formula> (3,236)
C7H8Cl2N4O

>  <MolWeight> (3,236)
235.07062

>  <PCAT_CMPD_ID> (3,236)
CL-52065

>  <CNC_ID> (3,236)
359380598

>  <transfer_container_id> (3,236)
PTN000000071

>  <COMPOUND_NUMBER> (3,236)
CL-52065

>  <LOCATION_CODE> (3,236)
PTNCS

>  <AMOUNT_CURRENT> (3,236)
33.3

$$$$
WAY-118086
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,237)
3240

>  <Formula> (3,237)
C15H11BrN2O

>  <MolWeight> (3,237)
315.16464

>  <PCAT_CMPD_ID> (3,237)
WAY-118086

>  <CNC_ID> (3,237)
359380687

>  <transfer_container_id> (3,237)
PTN000000071

>  <COMPOUND_NUMBER> (3,237)
WAY-118086

>  <LOCATION_CODE> (3,237)
PTNCS

>  <AMOUNT_CURRENT> (3,237)
33.3

$$$$
WAY-221641
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,238)
3241

>  <Formula> (3,238)
C23H23FN2O3S

>  <MolWeight> (3,238)
426.5037232

>  <PCAT_CMPD_ID> (3,238)
WAY-221641

>  <CNC_ID> (3,238)
359380753

>  <transfer_container_id> (3,238)
PTN000000071

>  <COMPOUND_NUMBER> (3,238)
WAY-221641

>  <LOCATION_CODE> (3,238)
PTNCS

>  <AMOUNT_CURRENT> (3,238)
33.4

$$$$
WAY-301842
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,239)
3242

>  <Formula> (3,239)
C13H12O3

>  <MolWeight> (3,239)
216.23258

>  <PCAT_CMPD_ID> (3,239)
WAY-301842

>  <CNC_ID> (3,239)
359382828

>  <transfer_container_id> (3,239)
PTN000000071

>  <COMPOUND_NUMBER> (3,239)
WAY-301842

>  <LOCATION_CODE> (3,239)
PTNCS

>  <AMOUNT_CURRENT> (3,239)
33.4

$$$$
WAY-302305
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,240)
3243

>  <Formula> (3,240)
C10H18N2O4

>  <MolWeight> (3,240)
230.26092

>  <PCAT_CMPD_ID> (3,240)
WAY-302305

>  <CNC_ID> (3,240)
359383291

>  <transfer_container_id> (3,240)
PTN000000071

>  <COMPOUND_NUMBER> (3,240)
WAY-302305

>  <LOCATION_CODE> (3,240)
PTNCS

>  <AMOUNT_CURRENT> (3,240)
33.5

$$$$
WAY-302578
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,241)
3244

>  <Formula> (3,241)
C14H11BrO3S

>  <MolWeight> (3,241)
339.20434

>  <PCAT_CMPD_ID> (3,241)
WAY-302578

>  <CNC_ID> (3,241)
359383564

>  <transfer_container_id> (3,241)
PTN000000071

>  <COMPOUND_NUMBER> (3,241)
WAY-302578

>  <LOCATION_CODE> (3,241)
PTNCS

>  <AMOUNT_CURRENT> (3,241)
33.1

$$$$
WAY-383163
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  5  1  0  0  0  0
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 18  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,242)
3245

>  <Formula> (3,242)
C13H15NO4

>  <MolWeight> (3,242)
249.2625

>  <PCAT_CMPD_ID> (3,242)
WAY-383163

>  <CNC_ID> (3,242)
359385353

>  <transfer_container_id> (3,242)
PTN000000071

>  <COMPOUND_NUMBER> (3,242)
WAY-383163

>  <LOCATION_CODE> (3,242)
PTNCS

>  <AMOUNT_CURRENT> (3,242)
32.9

$$$$
WAY-118823
csChFnd80/10101909502D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (3,243)
3246

>  <Formula> (3,243)
C20H26N2O3S

>  <MolWeight> (3,243)
374.49704

>  <PCAT_CMPD_ID> (3,243)
WAY-118823

>  <CNC_ID> (3,243)
359394247

>  <transfer_container_id> (3,243)
PTN000000072

>  <COMPOUND_NUMBER> (3,243)
WAY-118823

>  <LOCATION_CODE> (3,243)
PTNCS

>  <AMOUNT_CURRENT> (3,243)
33.6

$$$$
WAY-215362
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 15  5  1  0  0  0  0
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M  END
>  <Mol_ID> (3,244)
3247

>  <Formula> (3,244)
C17H22N2O2

>  <MolWeight> (3,244)
286.36878

>  <PCAT_CMPD_ID> (3,244)
WAY-215362

>  <CNC_ID> (3,244)
359394268

>  <transfer_container_id> (3,244)
PTN000000072

>  <COMPOUND_NUMBER> (3,244)
WAY-215362

>  <LOCATION_CODE> (3,244)
PTNCS

>  <AMOUNT_CURRENT> (3,244)
33.1

$$$$
WAY-303717
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,245)
3248

>  <Formula> (3,245)
C14H14BrNS

>  <MolWeight> (3,245)
308.23666

>  <PCAT_CMPD_ID> (3,245)
WAY-303717

>  <CNC_ID> (3,245)
359394897

>  <transfer_container_id> (3,245)
PTN000000072

>  <COMPOUND_NUMBER> (3,245)
WAY-303717

>  <LOCATION_CODE> (3,245)
PTNCS

>  <AMOUNT_CURRENT> (3,245)
33.2

$$$$
WAY-303800
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,246)
3249

>  <Formula> (3,246)
C13H14N2OS2

>  <MolWeight> (3,246)
278.39306

>  <PCAT_CMPD_ID> (3,246)
WAY-303800

>  <CNC_ID> (3,246)
359394980

>  <transfer_container_id> (3,246)
PTN000000072

>  <COMPOUND_NUMBER> (3,246)
WAY-303800

>  <LOCATION_CODE> (3,246)
PTNCS

>  <AMOUNT_CURRENT> (3,246)
33.5

$$$$
WAY-304093
csChFnd80/10101909502D

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  7  9  1  0  0  0  0
 17 20  1  0  0  0  0
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M  END
>  <Mol_ID> (3,247)
3250

>  <Formula> (3,247)
C17H15N3O2S

>  <MolWeight> (3,247)
325.3849

>  <PCAT_CMPD_ID> (3,247)
WAY-304093

>  <CNC_ID> (3,247)
359395271

>  <transfer_container_id> (3,247)
PTN000000072

>  <COMPOUND_NUMBER> (3,247)
WAY-304093

>  <LOCATION_CODE> (3,247)
PTNCS

>  <AMOUNT_CURRENT> (3,247)
33

$$$$
WAY-321399
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (3,248)
3251

>  <Formula> (3,248)
C19H18N4O2

>  <MolWeight> (3,248)
334.37182

>  <PCAT_CMPD_ID> (3,248)
WAY-321399

>  <CNC_ID> (3,248)
359397523

>  <transfer_container_id> (3,248)
PTN000000076

>  <COMPOUND_NUMBER> (3,248)
WAY-321399

>  <LOCATION_CODE> (3,248)
PTNCS

>  <AMOUNT_CURRENT> (3,248)
32.7

$$$$
WAY-322556
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11  4  2  0  0  0  0
 12  7  1  0  0  0  0
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 14  9  1  0  0  0  0
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  8 10  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,249)
3252

>  <Formula> (3,249)
C14H13NO3S2

>  <MolWeight> (3,249)
307.38792

>  <PCAT_CMPD_ID> (3,249)
WAY-322556

>  <CNC_ID> (3,249)
359398634

>  <transfer_container_id> (3,249)
PTN000000072

>  <COMPOUND_NUMBER> (3,249)
WAY-322556

>  <LOCATION_CODE> (3,249)
PTNCS

>  <AMOUNT_CURRENT> (3,249)
32.5

$$$$
WAY-383445
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,250)
3253

>  <Formula> (3,250)
C22H21ClN2O4S

>  <MolWeight> (3,250)
444.93114

>  <PCAT_CMPD_ID> (3,250)
WAY-383445

>  <CNC_ID> (3,250)
359399508

>  <transfer_container_id> (3,250)
PTN000000072

>  <COMPOUND_NUMBER> (3,250)
WAY-383445

>  <LOCATION_CODE> (3,250)
PTNCS

>  <AMOUNT_CURRENT> (3,250)
32.7

$$$$
WAY-383687
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  2  1  0  0  0  0
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  8  7  2  0  0  0  0
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 11 13  1  0  0  0  0
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 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 16 14  1  0  0  0  0
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  5  6  2  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,251)
3254

>  <Formula> (3,251)
C12H17N3OS2

>  <MolWeight> (3,251)
283.41288

>  <PCAT_CMPD_ID> (3,251)
WAY-383687

>  <CNC_ID> (3,251)
359399747

>  <transfer_container_id> (3,251)
PTN000000072

>  <COMPOUND_NUMBER> (3,251)
WAY-383687

>  <LOCATION_CODE> (3,251)
PTNCS

>  <AMOUNT_CURRENT> (3,251)
32.4

$$$$
WAY-383894
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  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
  6 11  2  0  0  0  0
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 10 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 23 24  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,252)
3255

>  <Formula> (3,252)
C21H18ClNO

>  <MolWeight> (3,252)
335.82672

>  <PCAT_CMPD_ID> (3,252)
WAY-383894

>  <CNC_ID> (3,252)
359399932

>  <transfer_container_id> (3,252)
PTN000000072

>  <COMPOUND_NUMBER> (3,252)
WAY-383894

>  <LOCATION_CODE> (3,252)
PTNCS

>  <AMOUNT_CURRENT> (3,252)
29.6

$$$$
WAY-384128
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  2  0  0  0  0
 15 13  2  0  0  0  0
 16  2  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  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 22  2  0  0  0  0
 14 15  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,253)
3256

>  <Formula> (3,253)
C17H19NO4S

>  <MolWeight> (3,253)
333.40206

>  <PCAT_CMPD_ID> (3,253)
WAY-384128

>  <CNC_ID> (3,253)
359400133

>  <transfer_container_id> (3,253)
PTN000000072

>  <COMPOUND_NUMBER> (3,253)
WAY-384128

>  <LOCATION_CODE> (3,253)
PTNCS

>  <AMOUNT_CURRENT> (3,253)
32.5

$$$$
WAY-384592
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  2  0  0  0  0
 13  8  2  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
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 17  8  1  0  0  0  0
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 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  5  9  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,254)
3257

>  <Formula> (3,254)
C14H12ClNO4S

>  <MolWeight> (3,254)
325.76738

>  <PCAT_CMPD_ID> (3,254)
WAY-384592

>  <CNC_ID> (3,254)
359400898

>  <transfer_container_id> (3,254)
PTN000000072

>  <COMPOUND_NUMBER> (3,254)
WAY-384592

>  <LOCATION_CODE> (3,254)
PTNCS

>  <AMOUNT_CURRENT> (3,254)
33

$$$$
WAY-385217
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
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 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 15 10  1  0  0  0  0
 16  3  1  0  0  0  0
 17  5  1  0  0  0  0
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 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 19 15  2  0  0  0  0
 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,255)
3258

>  <Formula> (3,255)
C19H26N2O4

>  <MolWeight> (3,255)
346.42074

>  <PCAT_CMPD_ID> (3,255)
WAY-385217

>  <CNC_ID> (3,255)
359401138

>  <transfer_container_id> (3,255)
PTN000000072

>  <COMPOUND_NUMBER> (3,255)
WAY-385217

>  <LOCATION_CODE> (3,255)
PTNCS

>  <AMOUNT_CURRENT> (3,255)
32.1

$$$$
CL-352392
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,256)
3259

>  <Formula> (3,256)
C13H15NO4S

>  <MolWeight> (3,256)
281.3275

>  <PCAT_CMPD_ID> (3,256)
CL-352392

>  <CNC_ID> (3,256)
359407672

>  <transfer_container_id> (3,256)
PTN000000073

>  <COMPOUND_NUMBER> (3,256)
CL-352392

>  <LOCATION_CODE> (3,256)
PTNCS

>  <AMOUNT_CURRENT> (3,256)
33.9

$$$$
CL-506684
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,257)
3260

>  <Formula> (3,257)
C14H14N2O2S

>  <MolWeight> (3,257)
274.33816

>  <PCAT_CMPD_ID> (3,257)
CL-506684

>  <CNC_ID> (3,257)
359407737

>  <transfer_container_id> (3,257)
PTN000000073

>  <COMPOUND_NUMBER> (3,257)
CL-506684

>  <LOCATION_CODE> (3,257)
PTNCS

>  <AMOUNT_CURRENT> (3,257)
33.6

$$$$
WAY-112519-A
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,258)
3261

>  <Formula> (3,258)
C19H27ClN2O

>  <MolWeight> (3,258)
334.88348

>  <PCAT_CMPD_ID> (3,258)
WAY-112519-A

>  <CNC_ID> (3,258)
359407793

>  <transfer_container_id> (3,258)
PTN000000073

>  <COMPOUND_NUMBER> (3,258)
WAY-112519-A

>  <LOCATION_CODE> (3,258)
PTNCS

>  <AMOUNT_CURRENT> (3,258)
33.7

$$$$
WAY-117412
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,259)
3262

>  <Formula> (3,259)
C11H12N4O2

>  <MolWeight> (3,259)
232.23858

>  <PCAT_CMPD_ID> (3,259)
WAY-117412

>  <CNC_ID> (3,259)
359407836

>  <transfer_container_id> (3,259)
PTN000000073

>  <COMPOUND_NUMBER> (3,259)
WAY-117412

>  <LOCATION_CODE> (3,259)
PTNCS

>  <AMOUNT_CURRENT> (3,259)
33.4

$$$$
WAY-217245
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,260)
3263

>  <Formula> (3,260)
C14H14N4S

>  <MolWeight> (3,260)
270.35276

>  <PCAT_CMPD_ID> (3,260)
WAY-217245

>  <CNC_ID> (3,260)
359407928

>  <transfer_container_id> (3,260)
PTN000000073

>  <COMPOUND_NUMBER> (3,260)
WAY-217245

>  <LOCATION_CODE> (3,260)
PTNCS

>  <AMOUNT_CURRENT> (3,260)
33.9

$$$$
WAY-223491
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,261)
3264

>  <Formula> (3,261)
C9H14N4O4

>  <MolWeight> (3,261)
242.23186

>  <PCAT_CMPD_ID> (3,261)
WAY-223491

>  <CNC_ID> (3,261)
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>  <transfer_container_id> (3,261)
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>  <COMPOUND_NUMBER> (3,261)
WAY-223491

>  <LOCATION_CODE> (3,261)
PTNCS

>  <AMOUNT_CURRENT> (3,261)
33.8

$$$$
WAY-247201
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,262)
3265

>  <Formula> (3,262)
C17H11ClN4OS

>  <MolWeight> (3,262)
354.81344

>  <PCAT_CMPD_ID> (3,262)
WAY-247201

>  <CNC_ID> (3,262)
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>  <transfer_container_id> (3,262)
PTN000000073

>  <COMPOUND_NUMBER> (3,262)
WAY-247201

>  <LOCATION_CODE> (3,262)
PTNCS

>  <AMOUNT_CURRENT> (3,262)
33.2

$$$$
WAY-305688
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,263)
3266

>  <Formula> (3,263)
C18H25NO2

>  <MolWeight> (3,263)
287.3966

>  <PCAT_CMPD_ID> (3,263)
WAY-305688

>  <CNC_ID> (3,263)
359408189

>  <transfer_container_id> (3,263)
PTN000000073

>  <COMPOUND_NUMBER> (3,263)
WAY-305688

>  <LOCATION_CODE> (3,263)
PTNCS

>  <AMOUNT_CURRENT> (3,263)
33.4

$$$$
WAY-305845
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,264)
3267

>  <Formula> (3,264)
C15H20N2O4S

>  <MolWeight> (3,264)
324.3953

>  <PCAT_CMPD_ID> (3,264)
WAY-305845

>  <CNC_ID> (3,264)
359408346

>  <transfer_container_id> (3,264)
PTN000000073

>  <COMPOUND_NUMBER> (3,264)
WAY-305845

>  <LOCATION_CODE> (3,264)
PTNCS

>  <AMOUNT_CURRENT> (3,264)
33.7

$$$$
WAY-305978
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,265)
3268

>  <Formula> (3,265)
C27H38N6O2

>  <MolWeight> (3,265)
478.62962

>  <PCAT_CMPD_ID> (3,265)
WAY-305978

>  <CNC_ID> (3,265)
359408479

>  <transfer_container_id> (3,265)
PTN000000073

>  <COMPOUND_NUMBER> (3,265)
WAY-305978

>  <LOCATION_CODE> (3,265)
PTNCS

>  <AMOUNT_CURRENT> (3,265)
33.8

$$$$
WAY-306736
csChFnd80/10101909502D

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>  <Mol_ID> (3,266)
3269

>  <Formula> (3,266)
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>  <MolWeight> (3,266)
198.26212

>  <PCAT_CMPD_ID> (3,266)
WAY-306736

>  <CNC_ID> (3,266)
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>  <transfer_container_id> (3,266)
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>  <COMPOUND_NUMBER> (3,266)
WAY-306736

>  <LOCATION_CODE> (3,266)
PTNCS

>  <AMOUNT_CURRENT> (3,266)
33.7

$$$$
WAY-306519
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,267)
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>  <Formula> (3,267)
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>  <MolWeight> (3,267)
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WAY-306519

>  <CNC_ID> (3,267)
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>  <transfer_container_id> (3,267)
PTN000000073

>  <COMPOUND_NUMBER> (3,267)
WAY-306519

>  <LOCATION_CODE> (3,267)
PTNCS

>  <AMOUNT_CURRENT> (3,267)
33.2

$$$$
WAY-306824
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,268)
3271

>  <Formula> (3,268)
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>  <MolWeight> (3,268)
284.33298

>  <PCAT_CMPD_ID> (3,268)
WAY-306824

>  <CNC_ID> (3,268)
359409322

>  <transfer_container_id> (3,268)
PTN000000073

>  <COMPOUND_NUMBER> (3,268)
WAY-306824

>  <LOCATION_CODE> (3,268)
PTNCS

>  <AMOUNT_CURRENT> (3,268)
33.2

$$$$
WAY-306831
csChFnd80/10101909502D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,269)
3272

>  <Formula> (3,269)
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>  <MolWeight> (3,269)
239.31734

>  <PCAT_CMPD_ID> (3,269)
WAY-306831

>  <CNC_ID> (3,269)
359409329

>  <transfer_container_id> (3,269)
PTN000000073

>  <COMPOUND_NUMBER> (3,269)
WAY-306831

>  <LOCATION_CODE> (3,269)
PTNCS

>  <AMOUNT_CURRENT> (3,269)
33.8

$$$$
WAY-306987
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,270)
3273

>  <Formula> (3,270)
C19H16N2O2

>  <MolWeight> (3,270)
304.34254

>  <PCAT_CMPD_ID> (3,270)
WAY-306987

>  <CNC_ID> (3,270)
359409485

>  <transfer_container_id> (3,270)
PTN000000073

>  <COMPOUND_NUMBER> (3,270)
WAY-306987

>  <LOCATION_CODE> (3,270)
PTNCS

>  <AMOUNT_CURRENT> (3,270)
33.7

$$$$
WAY-306996
csChFnd80/10101909502D

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>  <Mol_ID> (3,271)
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>  <Formula> (3,271)
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>  <MolWeight> (3,271)
409.48148

>  <PCAT_CMPD_ID> (3,271)
WAY-306996

>  <CNC_ID> (3,271)
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>  <transfer_container_id> (3,271)
PTN000000073

>  <COMPOUND_NUMBER> (3,271)
WAY-306996

>  <LOCATION_CODE> (3,271)
PTNCS

>  <AMOUNT_CURRENT> (3,271)
33.5

$$$$
WAY-307089
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,272)
3275

>  <Formula> (3,272)
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>  <MolWeight> (3,272)
321.21558

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WAY-307089

>  <CNC_ID> (3,272)
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>  <transfer_container_id> (3,272)
PTN000000073

>  <COMPOUND_NUMBER> (3,272)
WAY-307089

>  <LOCATION_CODE> (3,272)
PTNCS

>  <AMOUNT_CURRENT> (3,272)
33.5

$$$$
WAY-307405-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,273)
3276

>  <Formula> (3,273)
C15H28N2O3

>  <MolWeight> (3,273)
284.39442

>  <PCAT_CMPD_ID> (3,273)
WAY-307405-A

>  <CNC_ID> (3,273)
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>  <transfer_container_id> (3,273)
PTN000000073

>  <COMPOUND_NUMBER> (3,273)
WAY-307405-A

>  <LOCATION_CODE> (3,273)
PTNCS

>  <AMOUNT_CURRENT> (3,273)
33.7

$$$$
WAY-387942
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,274)
3277

>  <Formula> (3,274)
C17H18O3S2

>  <MolWeight> (3,274)
334.45302

>  <PCAT_CMPD_ID> (3,274)
WAY-387942

>  <CNC_ID> (3,274)
359413999

>  <transfer_container_id> (3,274)
PTN000000073

>  <COMPOUND_NUMBER> (3,274)
WAY-387942

>  <LOCATION_CODE> (3,274)
PTNCS

>  <AMOUNT_CURRENT> (3,274)
32.1

$$$$
CL-815803
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,275)
3278

>  <Formula> (3,275)
C14H21N3O2

>  <MolWeight> (3,275)
263.33544

>  <PCAT_CMPD_ID> (3,275)
CL-815803

>  <CNC_ID> (3,275)
359420036

>  <transfer_container_id> (3,275)
PTN000000074

>  <COMPOUND_NUMBER> (3,275)
CL-815803

>  <LOCATION_CODE> (3,275)
PTNCS

>  <AMOUNT_CURRENT> (3,275)
33.8

$$$$
WAY-340256
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,276)
3279

>  <Formula> (3,276)
C11H8N2O3S

>  <MolWeight> (3,276)
248.25782

>  <PCAT_CMPD_ID> (3,276)
WAY-340256

>  <CNC_ID> (3,276)
359425378

>  <transfer_container_id> (3,276)
PTN000000074

>  <COMPOUND_NUMBER> (3,276)
WAY-340256

>  <LOCATION_CODE> (3,276)
PTNCS

>  <AMOUNT_CURRENT> (3,276)
28.7

$$$$
WAY-341582
csChFnd80/10101909502D

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>  <Mol_ID> (3,277)
3280

>  <Formula> (3,277)
C16H10F3N5S

>  <MolWeight> (3,277)
361.3443096

>  <PCAT_CMPD_ID> (3,277)
WAY-341582

>  <CNC_ID> (3,277)
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>  <transfer_container_id> (3,277)
PTN000000074

>  <COMPOUND_NUMBER> (3,277)
WAY-341582

>  <LOCATION_CODE> (3,277)
PTNCS

>  <AMOUNT_CURRENT> (3,277)
29.1

$$$$
WAY-342095
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 15 14  1  0  0  0  0
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M  END
>  <Mol_ID> (3,278)
3281

>  <Formula> (3,278)
C15H17NO5

>  <MolWeight> (3,278)
291.29918

>  <PCAT_CMPD_ID> (3,278)
WAY-342095

>  <CNC_ID> (3,278)
359427018

>  <transfer_container_id> (3,278)
PTN000000074

>  <COMPOUND_NUMBER> (3,278)
WAY-342095

>  <LOCATION_CODE> (3,278)
PTNCS

>  <AMOUNT_CURRENT> (3,278)
32.5

$$$$
WAY-346675
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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 14 12  1  0  0  0  0
 15  2  2  0  0  0  0
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 23 21  2  0  0  0  0
  7  6  2  0  0  0  0
 22 23  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,279)
3282

>  <Formula> (3,279)
C15H11N3O4S

>  <MolWeight> (3,279)
329.33054

>  <PCAT_CMPD_ID> (3,279)
WAY-346675

>  <CNC_ID> (3,279)
359434557

>  <transfer_container_id> (3,279)
PTN000000075

>  <COMPOUND_NUMBER> (3,279)
WAY-346675

>  <LOCATION_CODE> (3,279)
PTNCS

>  <AMOUNT_CURRENT> (3,279)
29.6

$$$$
WAY-347767
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
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 13  9  1  0  0  0  0
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 17  3  1  0  0  0  0
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 21  7  1  0  0  0  0
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 10  9  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,280)
3283

>  <Formula> (3,280)
C17H19N3OS

>  <MolWeight> (3,280)
313.41726

>  <PCAT_CMPD_ID> (3,280)
WAY-347767

>  <CNC_ID> (3,280)
359435616

>  <transfer_container_id> (3,280)
PTN000000075

>  <COMPOUND_NUMBER> (3,280)
WAY-347767

>  <LOCATION_CODE> (3,280)
PTNCS

>  <AMOUNT_CURRENT> (3,280)
32.7

$$$$
WAY-353439
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,281)
3284

>  <Formula> (3,281)
C10H16N2OS

>  <MolWeight> (3,281)
212.31184

>  <PCAT_CMPD_ID> (3,281)
WAY-353439

>  <CNC_ID> (3,281)
359441077

>  <transfer_container_id> (3,281)
PTN000000075

>  <COMPOUND_NUMBER> (3,281)
WAY-353439

>  <LOCATION_CODE> (3,281)
PTNCS

>  <AMOUNT_CURRENT> (3,281)
32.6

$$$$
WAY-345960-A
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,282)
3285

>  <Formula> (3,282)
C18H18Cl3N3O

>  <MolWeight> (3,282)
398.71402

>  <PCAT_CMPD_ID> (3,282)
WAY-345960-A

>  <CNC_ID> (3,282)
359442514

>  <transfer_container_id> (3,282)
PTN000000076

>  <COMPOUND_NUMBER> (3,282)
WAY-345960-A

>  <LOCATION_CODE> (3,282)
PTNCS

>  <AMOUNT_CURRENT> (3,282)
32.2

$$$$
WAY-347929-A
csChFnd80/10101909502D

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  3  5  1  0  0  0  0
M  END
>  <Mol_ID> (3,283)
3286

>  <Formula> (3,283)
C18H35NO2

>  <MolWeight> (3,283)
297.476

>  <PCAT_CMPD_ID> (3,283)
WAY-347929-A

>  <CNC_ID> (3,283)
359442539

>  <transfer_container_id> (3,283)
PTN000000076

>  <COMPOUND_NUMBER> (3,283)
WAY-347929-A

>  <LOCATION_CODE> (3,283)
PTNCS

>  <AMOUNT_CURRENT> (3,283)
32.4

$$$$
WAY-358716
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,284)
3287

>  <Formula> (3,284)
C14H13NO3S

>  <MolWeight> (3,284)
275.32292

>  <PCAT_CMPD_ID> (3,284)
WAY-358716

>  <CNC_ID> (3,284)
359446423

>  <transfer_container_id> (3,284)
PTN000000076

>  <COMPOUND_NUMBER> (3,284)
WAY-358716

>  <LOCATION_CODE> (3,284)
PTNCS

>  <AMOUNT_CURRENT> (3,284)
32.6

$$$$
WAY-358842
csChFnd80/10101909502D

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 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,285)
3288

>  <Formula> (3,285)
C15H15N5OS

>  <MolWeight> (3,285)
313.3775

>  <PCAT_CMPD_ID> (3,285)
WAY-358842

>  <CNC_ID> (3,285)
359446544

>  <transfer_container_id> (3,285)
PTN000000076

>  <COMPOUND_NUMBER> (3,285)
WAY-358842

>  <LOCATION_CODE> (3,285)
PTNCS

>  <AMOUNT_CURRENT> (3,285)
32.6

$$$$
WAY-311350
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 12 14  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,286)
3289

>  <Formula> (3,286)
C17H12BrN3O3S

>  <MolWeight> (3,286)
418.26448

>  <PCAT_CMPD_ID> (3,286)
WAY-311350

>  <CNC_ID> (3,286)
359315091

>  <transfer_container_id> (3,286)
PTN000000065

>  <COMPOUND_NUMBER> (3,286)
WAY-311350

>  <LOCATION_CODE> (3,286)
PTNCS

>  <AMOUNT_CURRENT> (3,286)
33.7

$$$$
WAY-330313
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,287)
3290

>  <Formula> (3,287)
C17H18N6O3

>  <MolWeight> (3,287)
354.36322

>  <PCAT_CMPD_ID> (3,287)
WAY-330313

>  <CNC_ID> (3,287)
359317668

>  <transfer_container_id> (3,287)
PTN000000065

>  <COMPOUND_NUMBER> (3,287)
WAY-330313

>  <LOCATION_CODE> (3,287)
PTNCS

>  <AMOUNT_CURRENT> (3,287)
32.5

$$$$
WAY-332099
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 11 17  2  0  0  0  0
 31 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,288)
3291

>  <Formula> (3,288)
C24H21ClN2O3S

>  <MolWeight> (3,288)
452.95314

>  <PCAT_CMPD_ID> (3,288)
WAY-332099

>  <CNC_ID> (3,288)
359330638

>  <transfer_container_id> (3,288)
PTN000000067

>  <COMPOUND_NUMBER> (3,288)
WAY-332099

>  <LOCATION_CODE> (3,288)
PTNCS

>  <AMOUNT_CURRENT> (3,288)
32.5

$$$$
WAY-332659
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 11 10  1  0  0  0  0
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 15  6  1  0  0  0  0
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 18 14  1  0  0  0  0
 19  8  2  0  0  0  0
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 22 14  2  0  0  0  0
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 25 24  2  0  0  0  0
  6  4  1  0  0  0  0
  9 11  2  0  0  0  0
 22 25  1  0  0  0  0
 20 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,289)
3292

>  <Formula> (3,289)
C18H13ClN4O2

>  <MolWeight> (3,289)
352.77442

>  <PCAT_CMPD_ID> (3,289)
WAY-332659

>  <CNC_ID> (3,289)
359331195

>  <transfer_container_id> (3,289)
PTN000000067

>  <COMPOUND_NUMBER> (3,289)
WAY-332659

>  <LOCATION_CODE> (3,289)
PTNCS

>  <AMOUNT_CURRENT> (3,289)
32.5

$$$$
WAY-330730
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  8  1  0  0  0  0
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 30 22  1  0  0  0  0
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 21 22  2  0  0  0  0
 24 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,290)
3293

>  <Formula> (3,290)
C21H23FN4O3S

>  <MolWeight> (3,290)
430.4957232

>  <PCAT_CMPD_ID> (3,290)
WAY-330730

>  <CNC_ID> (3,290)
359318085

>  <transfer_container_id> (3,290)
PTN000000065

>  <COMPOUND_NUMBER> (3,290)
WAY-330730

>  <LOCATION_CODE> (3,290)
PTNCS

>  <AMOUNT_CURRENT> (3,290)
32.5

$$$$
WAY-330738
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  6  1  0  0  0  0
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 13  7  2  0  0  0  0
 14  9  2  0  0  0  0
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 16  1  1  0  0  0  0
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 19  9  1  0  0  0  0
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 22 21  1  0  0  0  0
 17  5  1  0  0  0  0
 15 12  2  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,291)
3294

>  <Formula> (3,291)
C16H15FN2OS2

>  <MolWeight> (3,291)
334.4315032

>  <PCAT_CMPD_ID> (3,291)
WAY-330738

>  <CNC_ID> (3,291)
359318093

>  <transfer_container_id> (3,291)
PTN000000065

>  <COMPOUND_NUMBER> (3,291)
WAY-330738

>  <LOCATION_CODE> (3,291)
PTNCS

>  <AMOUNT_CURRENT> (3,291)
32.5

$$$$
WAY-329176
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  8  1  0  0  0  0
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 26 19  1  0  0  0  0
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M  END
>  <Mol_ID> (3,292)
3295

>  <Formula> (3,292)
C23H20N2O4

>  <MolWeight> (3,292)
388.4159

>  <PCAT_CMPD_ID> (3,292)
WAY-329176

>  <CNC_ID> (3,292)
359316541

>  <transfer_container_id> (3,292)
PTN000000065

>  <COMPOUND_NUMBER> (3,292)
WAY-329176

>  <LOCATION_CODE> (3,292)
PTNCS

>  <AMOUNT_CURRENT> (3,292)
32.5

$$$$
WAY-330181
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,293)
3296

>  <Formula> (3,293)
C20H28N2O4S

>  <MolWeight> (3,293)
392.51232

>  <PCAT_CMPD_ID> (3,293)
WAY-330181

>  <CNC_ID> (3,293)
359317545

>  <transfer_container_id> (3,293)
PTN000000065

>  <COMPOUND_NUMBER> (3,293)
WAY-330181

>  <LOCATION_CODE> (3,293)
PTNCS

>  <AMOUNT_CURRENT> (3,293)
32.5

$$$$
WAY-329249
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,294)
3297

>  <Formula> (3,294)
C20H20ClN3O3

>  <MolWeight> (3,294)
385.8441

>  <PCAT_CMPD_ID> (3,294)
WAY-329249

>  <CNC_ID> (3,294)
359316617

>  <transfer_container_id> (3,294)
PTN000000065

>  <COMPOUND_NUMBER> (3,294)
WAY-329249

>  <LOCATION_CODE> (3,294)
PTNCS

>  <AMOUNT_CURRENT> (3,294)
32.5

$$$$
WAY-330687
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,295)
3298

>  <Formula> (3,295)
C17H21ClN4O3S

>  <MolWeight> (3,295)
396.89164

>  <PCAT_CMPD_ID> (3,295)
WAY-330687

>  <CNC_ID> (3,295)
359318042

>  <transfer_container_id> (3,295)
PTN000000065

>  <COMPOUND_NUMBER> (3,295)
WAY-330687

>  <LOCATION_CODE> (3,295)
PTNCS

>  <AMOUNT_CURRENT> (3,295)
32.5

$$$$
WAY-331350
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,296)
3299

>  <Formula> (3,296)
C18H18N2O2S

>  <MolWeight> (3,296)
326.41272

>  <PCAT_CMPD_ID> (3,296)
WAY-331350

>  <CNC_ID> (3,296)
359318705

>  <transfer_container_id> (3,296)
PTN000000065

>  <COMPOUND_NUMBER> (3,296)
WAY-331350

>  <LOCATION_CODE> (3,296)
PTNCS

>  <AMOUNT_CURRENT> (3,296)
32.5

$$$$
WAY-642992
csChFnd80/10101909502D

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>  <Mol_ID> (3,297)
3300

>  <Formula> (3,297)
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>  <MolWeight> (3,297)
444.99742

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WAY-642992

>  <CNC_ID> (3,297)
359324730

>  <transfer_container_id> (3,297)
PTN000000065

>  <COMPOUND_NUMBER> (3,297)
WAY-642992

>  <LOCATION_CODE> (3,297)
PTNCS

>  <AMOUNT_CURRENT> (3,297)
32.3

$$$$
WAY-332507
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
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 13  8  1  0  0  0  0
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 15  8  2  0  0  0  0
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 25  5  2  0  0  0  0
 26  7  2  0  0  0  0
 27 12  2  0  0  0  0
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  3  4  1  0  0  0  0
 26 31  1  0  0  0  0
 28 33  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,298)
3301

>  <Formula> (3,298)
C25H23FN4O3

>  <MolWeight> (3,298)
446.4735232

>  <PCAT_CMPD_ID> (3,298)
WAY-332507

>  <CNC_ID> (3,298)
359331043

>  <transfer_container_id> (3,298)
PTN000000067

>  <COMPOUND_NUMBER> (3,298)
WAY-332507

>  <LOCATION_CODE> (3,298)
PTNCS

>  <AMOUNT_CURRENT> (3,298)
32.5

$$$$
WAY-331436
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  6  3  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  2  0  0  0  0
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 20 17  2  0  0  0  0
  6  9  2  0  0  0  0
 11 10  2  0  0  0  0
 15 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,299)
3302

>  <Formula> (3,299)
C14H8FN3S2

>  <MolWeight> (3,299)
301.3618232

>  <PCAT_CMPD_ID> (3,299)
WAY-331436

>  <CNC_ID> (3,299)
359318789

>  <transfer_container_id> (3,299)
PTN000000065

>  <COMPOUND_NUMBER> (3,299)
WAY-331436

>  <LOCATION_CODE> (3,299)
PTNCS

>  <AMOUNT_CURRENT> (3,299)
32.5

$$$$
WAY-329413
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  2  0  0  0  0
 14  5  2  0  0  0  0
 15  6  2  0  0  0  0
 16  3  1  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
 19 12  1  0  0  0  0
 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
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 25 24  2  0  0  0  0
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 27 26  1  0  0  0  0
  3  5  1  0  0  0  0
 18 25  1  0  0  0  0
 11 13  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,300)
3303

>  <Formula> (3,300)
C22H23N3O2

>  <MolWeight> (3,300)
361.43692

>  <PCAT_CMPD_ID> (3,300)
WAY-329413

>  <CNC_ID> (3,300)
359316781

>  <transfer_container_id> (3,300)
PTN000000065

>  <COMPOUND_NUMBER> (3,300)
WAY-329413

>  <LOCATION_CODE> (3,300)
PTNCS

>  <AMOUNT_CURRENT> (3,300)
32.5

$$$$
WAY-329080
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
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 17 12  1  0  0  0  0
 18 12  1  0  0  0  0
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  6  5  2  0  0  0  0
 19 20  1  0  0  0  0
 27 21  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,301)
3304

>  <Formula> (3,301)
C23H26N2O2

>  <MolWeight> (3,301)
362.46474

>  <PCAT_CMPD_ID> (3,301)
WAY-329080

>  <CNC_ID> (3,301)
359316445

>  <transfer_container_id> (3,301)
PTN000000065

>  <COMPOUND_NUMBER> (3,301)
WAY-329080

>  <LOCATION_CODE> (3,301)
PTNCS

>  <AMOUNT_CURRENT> (3,301)
32.5

$$$$
WAY-330040
csChFnd80/10101909502D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,302)
3305

>  <Formula> (3,302)
C26H27N3O3

>  <MolWeight> (3,302)
429.51088

>  <PCAT_CMPD_ID> (3,302)
WAY-330040

>  <CNC_ID> (3,302)
359317406

>  <transfer_container_id> (3,302)
PTN000000065

>  <COMPOUND_NUMBER> (3,302)
WAY-330040

>  <LOCATION_CODE> (3,302)
PTNCS

>  <AMOUNT_CURRENT> (3,302)
32.5

$$$$
WAY-662884
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 15  6  1  0  0  0  0
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 17  4  1  0  0  0  0
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 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,303)
3306

>  <Formula> (3,303)
C15H12BrNO2S

>  <MolWeight> (3,303)
350.23028

>  <PCAT_CMPD_ID> (3,303)
WAY-662884

>  <CNC_ID> (3,303)
359325787

>  <transfer_container_id> (3,303)
PTN000000065

>  <COMPOUND_NUMBER> (3,303)
WAY-662884

>  <LOCATION_CODE> (3,303)
PTNCS

>  <AMOUNT_CURRENT> (3,303)
32.1

$$$$
WAY-329001
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,304)
3307

>  <Formula> (3,304)
C18H15BrN4S

>  <MolWeight> (3,304)
399.3075

>  <PCAT_CMPD_ID> (3,304)
WAY-329001

>  <CNC_ID> (3,304)
359316366

>  <transfer_container_id> (3,304)
PTN000000065

>  <COMPOUND_NUMBER> (3,304)
WAY-329001

>  <LOCATION_CODE> (3,304)
PTNCS

>  <AMOUNT_CURRENT> (3,304)
32.5

$$$$
WAY-642532
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,305)
3308

>  <Formula> (3,305)
C14H9ClN2O

>  <MolWeight> (3,305)
256.68706

>  <PCAT_CMPD_ID> (3,305)
WAY-642532

>  <CNC_ID> (3,305)
359324270

>  <transfer_container_id> (3,305)
PTN000000065

>  <COMPOUND_NUMBER> (3,305)
WAY-642532

>  <LOCATION_CODE> (3,305)
PTNCS

>  <AMOUNT_CURRENT> (3,305)
32

$$$$
WAY-615876
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,306)
3309

>  <Formula> (3,306)
C7H7N3S3

>  <MolWeight> (3,306)
229.34558

>  <PCAT_CMPD_ID> (3,306)
WAY-615876

>  <CNC_ID> (3,306)
359320961

>  <transfer_container_id> (3,306)
PTN000000065

>  <COMPOUND_NUMBER> (3,306)
WAY-615876

>  <LOCATION_CODE> (3,306)
PTNCS

>  <AMOUNT_CURRENT> (3,306)
32.9

$$$$
WAY-332698
csChFnd80/10101909502D

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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,307)
3310

>  <Formula> (3,307)
C20H23ClN2O

>  <MolWeight> (3,307)
342.86242

>  <PCAT_CMPD_ID> (3,307)
WAY-332698

>  <CNC_ID> (3,307)
359331234

>  <transfer_container_id> (3,307)
PTN000000067

>  <COMPOUND_NUMBER> (3,307)
WAY-332698

>  <LOCATION_CODE> (3,307)
PTNCS

>  <AMOUNT_CURRENT> (3,307)
32.5

$$$$
WAY-329844
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 17  2  0  0  0  0
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 16 12  2  0  0  0  0
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 18 15  2  0  0  0  0
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 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  7  8  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,308)
3311

>  <Formula> (3,308)
C16H22ClN3O2

>  <MolWeight> (3,308)
323.81778

>  <PCAT_CMPD_ID> (3,308)
WAY-329844

>  <CNC_ID> (3,308)
359317210

>  <transfer_container_id> (3,308)
PTN000000065

>  <COMPOUND_NUMBER> (3,308)
WAY-329844

>  <LOCATION_CODE> (3,308)
PTNCS

>  <AMOUNT_CURRENT> (3,308)
32.5

$$$$
WAY-642069
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  7  2  1  0  0  0  0
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  9  1  2  0  0  0  0
 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  6  2  0  0  0  0
 13  4  1  0  0  0  0
 14 10  1  0  0  0  0
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 16  5  1  0  0  0  0
 17  7  1  0  0  0  0
 18 13  2  0  0  0  0
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 20  1  1  0  0  0  0
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 22  9  1  0  0  0  0
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 25 20  2  0  0  0  0
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 29 27  2  0  0  0  0
 26 22  2  0  0  0  0
 29 28  1  0  0  0  0
 15  8  2  0  0  0  0
M  END
>  <Mol_ID> (3,309)
3312

>  <Formula> (3,309)
C22H19ClFN3O2

>  <MolWeight> (3,309)
411.8565632

>  <PCAT_CMPD_ID> (3,309)
WAY-642069

>  <CNC_ID> (3,309)
359323807

>  <transfer_container_id> (3,309)
PTN000000065

>  <COMPOUND_NUMBER> (3,309)
WAY-642069

>  <LOCATION_CODE> (3,309)
PTNCS

>  <AMOUNT_CURRENT> (3,309)
32.1

$$$$
WAY-643219
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
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 14  4  1  0  0  0  0
 15  8  1  0  0  0  0
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 19  3  1  0  0  0  0
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 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
 24 23  1  0  0  0  0
  9  4  2  0  0  0  0
M  END
>  <Mol_ID> (3,310)
3313

>  <Formula> (3,310)
C18H18Cl2N2O2

>  <MolWeight> (3,310)
365.25372

>  <PCAT_CMPD_ID> (3,310)
WAY-643219

>  <CNC_ID> (3,310)
359324957

>  <transfer_container_id> (3,310)
PTN000000065

>  <COMPOUND_NUMBER> (3,310)
WAY-643219

>  <LOCATION_CODE> (3,310)
PTNCS

>  <AMOUNT_CURRENT> (3,310)
33

$$$$
WAY-332393
csChFnd80/10101909502D

 27 29  0  0  1  0  0  0  0  0999 V2000
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 11  8  1  0  0  0  0
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 17 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,311)
3314

>  <Formula> (3,311)
C22H26N2O3

>  <MolWeight> (3,311)
366.45344

>  <PCAT_CMPD_ID> (3,311)
WAY-332393

>  <CNC_ID> (3,311)
359330929

>  <transfer_container_id> (3,311)
PTN000000067

>  <COMPOUND_NUMBER> (3,311)
WAY-332393

>  <LOCATION_CODE> (3,311)
PTNCS

>  <AMOUNT_CURRENT> (3,311)
32.5

$$$$
WAY-643142
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 22 24  1  0  0  0  0
 25 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,312)
3315

>  <Formula> (3,312)
C19H19FN4O

>  <MolWeight> (3,312)
338.3787632

>  <PCAT_CMPD_ID> (3,312)
WAY-643142

>  <CNC_ID> (3,312)
359324880

>  <transfer_container_id> (3,312)
PTN000000065

>  <COMPOUND_NUMBER> (3,312)
WAY-643142

>  <LOCATION_CODE> (3,312)
PTNCS

>  <AMOUNT_CURRENT> (3,312)
32.5

$$$$
WAY-332790
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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 12  8  1  0  0  0  0
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 14  4  2  0  0  0  0
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 22  1  1  0  0  0  0
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  3  2  1  0  0  0  0
 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (3,313)
3316

>  <Formula> (3,313)
C19H15FN4O2S2

>  <MolWeight> (3,313)
414.4764032

>  <PCAT_CMPD_ID> (3,313)
WAY-332790

>  <CNC_ID> (3,313)
359331326

>  <transfer_container_id> (3,313)
PTN000000067

>  <COMPOUND_NUMBER> (3,313)
WAY-332790

>  <LOCATION_CODE> (3,313)
PTNCS

>  <AMOUNT_CURRENT> (3,313)
32.5

$$$$
WAY-332148
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 12  7  2  0  0  0  0
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  2  3  1  0  0  0  0
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  9  6  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,314)
3317

>  <Formula> (3,314)
C19H22N4OS

>  <MolWeight> (3,314)
354.46918

>  <PCAT_CMPD_ID> (3,314)
WAY-332148

>  <CNC_ID> (3,314)
359330687

>  <transfer_container_id> (3,314)
PTN000000067

>  <COMPOUND_NUMBER> (3,314)
WAY-332148

>  <LOCATION_CODE> (3,314)
PTNCS

>  <AMOUNT_CURRENT> (3,314)
32.5

$$$$
WAY-345025
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,315)
3318

>  <Formula> (3,315)
C18H15ClN2O5S

>  <MolWeight> (3,315)
406.8401

>  <PCAT_CMPD_ID> (3,315)
WAY-345025

>  <CNC_ID> (3,315)
359320335

>  <transfer_container_id> (3,315)
PTN000000065

>  <COMPOUND_NUMBER> (3,315)
WAY-345025

>  <LOCATION_CODE> (3,315)
PTNCS

>  <AMOUNT_CURRENT> (3,315)
33

$$$$
WAY-310522
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,316)
3319

>  <Formula> (3,316)
C10H10N2O3S

>  <MolWeight> (3,316)
238.263

>  <PCAT_CMPD_ID> (3,316)
WAY-310522

>  <CNC_ID> (3,316)
359314263

>  <transfer_container_id> (3,316)
PTN000000065

>  <COMPOUND_NUMBER> (3,316)
WAY-310522

>  <LOCATION_CODE> (3,316)
PTNCS

>  <AMOUNT_CURRENT> (3,316)
33.9

$$$$
GI-524580
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,317)
3320

>  <Formula> (3,317)
C19H23BrN2O5

>  <MolWeight> (3,317)
439.30032

>  <PCAT_CMPD_ID> (3,317)
GI-524580

>  <CNC_ID> (3,317)
359313653

>  <transfer_container_id> (3,317)
PTN000000065

>  <COMPOUND_NUMBER> (3,317)
GI-524580

>  <LOCATION_CODE> (3,317)
PTNCS

>  <AMOUNT_CURRENT> (3,317)
33.5

$$$$
WAY-344172
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 14  5  2  0  0  0  0
 15  3  1  0  0  0  0
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 17  6  1  0  0  0  0
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 12  9  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,318)
3321

>  <Formula> (3,318)
C14H12ClNO4

>  <MolWeight> (3,318)
293.70238

>  <PCAT_CMPD_ID> (3,318)
WAY-344172

>  <CNC_ID> (3,318)
359319508

>  <transfer_container_id> (3,318)
PTN000000065

>  <COMPOUND_NUMBER> (3,318)
WAY-344172

>  <LOCATION_CODE> (3,318)
PTNCS

>  <AMOUNT_CURRENT> (3,318)
32.9

$$$$
WAY-343772
csChFnd80/10101909502D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12  6  1  0  0  0  0
 13  3  2  0  0  0  0
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 16 10  1  0  0  0  0
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M  END
>  <Mol_ID> (3,319)
3322

>  <Formula> (3,319)
C23H21ClN4OS

>  <MolWeight> (3,319)
436.95704

>  <PCAT_CMPD_ID> (3,319)
WAY-343772

>  <CNC_ID> (3,319)
359319113

>  <transfer_container_id> (3,319)
PTN000000065

>  <COMPOUND_NUMBER> (3,319)
WAY-343772

>  <LOCATION_CODE> (3,319)
PTNCS

>  <AMOUNT_CURRENT> (3,319)
32.3

$$$$
CL-425673
csChFnd80/10101909502D

 16 16  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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 14  4  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,320)
3323

>  <Formula> (3,320)
C11H15N3O2

>  <MolWeight> (3,320)
221.2557

>  <PCAT_CMPD_ID> (3,320)
CL-425673

>  <CNC_ID> (3,320)
359326757

>  <transfer_container_id> (3,320)
PTN000000067

>  <COMPOUND_NUMBER> (3,320)
CL-425673

>  <LOCATION_CODE> (3,320)
PTNCS

>  <AMOUNT_CURRENT> (3,320)
33.2

$$$$
WAY-311890
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,321)
3324

>  <Formula> (3,321)
C18H20N2O4S

>  <MolWeight> (3,321)
360.4274

>  <PCAT_CMPD_ID> (3,321)
WAY-311890

>  <CNC_ID> (3,321)
359315631

>  <transfer_container_id> (3,321)
PTN000000065

>  <COMPOUND_NUMBER> (3,321)
WAY-311890

>  <LOCATION_CODE> (3,321)
PTNCS

>  <AMOUNT_CURRENT> (3,321)
33.2

$$$$
WAY-116356
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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  5  3  1  0  0  0  0
 12  9  2  0  0  0  0
  8 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,322)
3325

>  <Formula> (3,322)
C12H9N3O

>  <MolWeight> (3,322)
211.21936

>  <PCAT_CMPD_ID> (3,322)
WAY-116356

>  <CNC_ID> (3,322)
359313712

>  <transfer_container_id> (3,322)
PTN000000065

>  <COMPOUND_NUMBER> (3,322)
WAY-116356

>  <LOCATION_CODE> (3,322)
PTNCS

>  <AMOUNT_CURRENT> (3,322)
33.2

$$$$
CL-401981
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,323)
3326

>  <Formula> (3,323)
C14H11N3O5S

>  <MolWeight> (3,323)
333.31924

>  <PCAT_CMPD_ID> (3,323)
CL-401981

>  <CNC_ID> (3,323)
359313589

>  <transfer_container_id> (3,323)
PTN000000065

>  <COMPOUND_NUMBER> (3,323)
CL-401981

>  <LOCATION_CODE> (3,323)
PTNCS

>  <AMOUNT_CURRENT> (3,323)
33.6

$$$$
WAY-343687
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 13  3  2  0  0  0  0
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 15  5  1  0  0  0  0
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 11  2  2  0  0  0  0
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 20 12  1  0  0  0  0
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M  END
>  <Mol_ID> (3,324)
3327

>  <Formula> (3,324)
C24H24ClN3O4S

>  <MolWeight> (3,324)
485.98306

>  <PCAT_CMPD_ID> (3,324)
WAY-343687

>  <CNC_ID> (3,324)
359319029

>  <transfer_container_id> (3,324)
PTN000000065

>  <COMPOUND_NUMBER> (3,324)
WAY-343687

>  <LOCATION_CODE> (3,324)
PTNCS

>  <AMOUNT_CURRENT> (3,324)
29.6

$$$$
WAY-310490
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,325)
3328

>  <Formula> (3,325)
C18H21BrN2O2

>  <MolWeight> (3,325)
377.27554

>  <PCAT_CMPD_ID> (3,325)
WAY-310490

>  <CNC_ID> (3,325)
359314231

>  <transfer_container_id> (3,325)
PTN000000065

>  <COMPOUND_NUMBER> (3,325)
WAY-310490

>  <LOCATION_CODE> (3,325)
PTNCS

>  <AMOUNT_CURRENT> (3,325)
33.6

$$$$
WAY-312166
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,326)
3329

>  <Formula> (3,326)
C13H13N3O

>  <MolWeight> (3,326)
227.26182

>  <PCAT_CMPD_ID> (3,326)
WAY-312166

>  <CNC_ID> (3,326)
359315906

>  <transfer_container_id> (3,326)
PTN000000065

>  <COMPOUND_NUMBER> (3,326)
WAY-312166

>  <LOCATION_CODE> (3,326)
PTNCS

>  <AMOUNT_CURRENT> (3,326)
33.5

$$$$
WAY-311441
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,327)
3330

>  <Formula> (3,327)
C17H20N2O3

>  <MolWeight> (3,327)
300.3523

>  <PCAT_CMPD_ID> (3,327)
WAY-311441

>  <CNC_ID> (3,327)
359315182

>  <transfer_container_id> (3,327)
PTN000000065

>  <COMPOUND_NUMBER> (3,327)
WAY-311441

>  <LOCATION_CODE> (3,327)
PTNCS

>  <AMOUNT_CURRENT> (3,327)
33.4

$$$$
WAY-343711
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 11 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,328)
3331

>  <Formula> (3,328)
C22H24N2O2

>  <MolWeight> (3,328)
348.43816

>  <PCAT_CMPD_ID> (3,328)
WAY-343711

>  <CNC_ID> (3,328)
359319053

>  <transfer_container_id> (3,328)
PTN000000065

>  <COMPOUND_NUMBER> (3,328)
WAY-343711

>  <LOCATION_CODE> (3,328)
PTNCS

>  <AMOUNT_CURRENT> (3,328)
32.8

$$$$
WL-230260
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,329)
3332

>  <Formula> (3,329)
C14H12F3NO2

>  <MolWeight> (3,329)
283.2457896

>  <PCAT_CMPD_ID> (3,329)
WL-230260

>  <CNC_ID> (3,329)
359326674

>  <transfer_container_id> (3,329)
PTN000000065

>  <COMPOUND_NUMBER> (3,329)
WL-230260

>  <LOCATION_CODE> (3,329)
PTNCS

>  <AMOUNT_CURRENT> (3,329)
33.4

$$$$
WAY-311622
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,330)
3333

>  <Formula> (3,330)
C16H13N3OS

>  <MolWeight> (3,330)
295.35892

>  <PCAT_CMPD_ID> (3,330)
WAY-311622

>  <CNC_ID> (3,330)
359315363

>  <transfer_container_id> (3,330)
PTN000000065

>  <COMPOUND_NUMBER> (3,330)
WAY-311622

>  <LOCATION_CODE> (3,330)
PTNCS

>  <AMOUNT_CURRENT> (3,330)
33.5

$$$$
WAY-311261
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 15 16  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,331)
3334

>  <Formula> (3,331)
C17H13BrN2O4

>  <MolWeight> (3,331)
389.20012

>  <PCAT_CMPD_ID> (3,331)
WAY-311261

>  <CNC_ID> (3,331)
359315002

>  <transfer_container_id> (3,331)
PTN000000065

>  <COMPOUND_NUMBER> (3,331)
WAY-311261

>  <LOCATION_CODE> (3,331)
PTNCS

>  <AMOUNT_CURRENT> (3,331)
33.5

$$$$
WAY-322716
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,332)
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>  <Formula> (3,332)
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>  <MolWeight> (3,332)
410.53244

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>  <CNC_ID> (3,332)
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>  <transfer_container_id> (3,332)
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>  <COMPOUND_NUMBER> (3,332)
WAY-322716

>  <LOCATION_CODE> (3,332)
PTNCS

>  <AMOUNT_CURRENT> (3,332)
32.5

$$$$
WAY-311968
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,333)
3336

>  <Formula> (3,333)
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>  <MolWeight> (3,333)
269.25214

>  <PCAT_CMPD_ID> (3,333)
WAY-311968

>  <CNC_ID> (3,333)
359315709

>  <transfer_container_id> (3,333)
PTN000000065

>  <COMPOUND_NUMBER> (3,333)
WAY-311968

>  <LOCATION_CODE> (3,333)
PTNCS

>  <AMOUNT_CURRENT> (3,333)
33.1

$$$$
WAY-238069-A
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,334)
3337

>  <Formula> (3,334)
C21H25N3

>  <MolWeight> (3,334)
319.4433

>  <PCAT_CMPD_ID> (3,334)
WAY-238069-A

>  <CNC_ID> (3,334)
359313955

>  <transfer_container_id> (3,334)
PTN000000065

>  <COMPOUND_NUMBER> (3,334)
WAY-238069-A

>  <LOCATION_CODE> (3,334)
PTNCS

>  <AMOUNT_CURRENT> (3,334)
33.4

$$$$
WAY-311995
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,335)
3338

>  <Formula> (3,335)
C17H23N3O2

>  <MolWeight> (3,335)
301.38342

>  <PCAT_CMPD_ID> (3,335)
WAY-311995

>  <CNC_ID> (3,335)
359315736

>  <transfer_container_id> (3,335)
PTN000000065

>  <COMPOUND_NUMBER> (3,335)
WAY-311995

>  <LOCATION_CODE> (3,335)
PTNCS

>  <AMOUNT_CURRENT> (3,335)
33.2

$$$$
WAY-311100
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,336)
3339

>  <Formula> (3,336)
C23H23N3O4

>  <MolWeight> (3,336)
405.44642

>  <PCAT_CMPD_ID> (3,336)
WAY-311100

>  <CNC_ID> (3,336)
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>  <transfer_container_id> (3,336)
PTN000000065

>  <COMPOUND_NUMBER> (3,336)
WAY-311100

>  <LOCATION_CODE> (3,336)
PTNCS

>  <AMOUNT_CURRENT> (3,336)
33.5

$$$$
WAY-344030
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,337)
3340

>  <Formula> (3,337)
C22H24N2O7S

>  <MolWeight> (3,337)
460.50016

>  <PCAT_CMPD_ID> (3,337)
WAY-344030

>  <CNC_ID> (3,337)
359319367

>  <transfer_container_id> (3,337)
PTN000000065

>  <COMPOUND_NUMBER> (3,337)
WAY-344030

>  <LOCATION_CODE> (3,337)
PTNCS

>  <AMOUNT_CURRENT> (3,337)
32.7

$$$$
WAY-311565
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,338)
3341

>  <Formula> (3,338)
C16H19NO3

>  <MolWeight> (3,338)
273.32696

>  <PCAT_CMPD_ID> (3,338)
WAY-311565

>  <CNC_ID> (3,338)
359315306

>  <transfer_container_id> (3,338)
PTN000000065

>  <COMPOUND_NUMBER> (3,338)
WAY-311565

>  <LOCATION_CODE> (3,338)
PTNCS

>  <AMOUNT_CURRENT> (3,338)
33.3

$$$$
WAY-311720
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 18 20  2  0  0  0  0
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 11 12  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,339)
3342

>  <Formula> (3,339)
C13H8N2O5

>  <MolWeight> (3,339)
272.21302

>  <PCAT_CMPD_ID> (3,339)
WAY-311720

>  <CNC_ID> (3,339)
359315461

>  <transfer_container_id> (3,339)
PTN000000065

>  <COMPOUND_NUMBER> (3,339)
WAY-311720

>  <LOCATION_CODE> (3,339)
PTNCS

>  <AMOUNT_CURRENT> (3,339)
33.4

$$$$
WAY-344458
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 18  7  2  0  0  0  0
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 20 25  1  0  0  0  0
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M  END
>  <Mol_ID> (3,340)
3343

>  <Formula> (3,340)
C20H19FN2O3

>  <MolWeight> (3,340)
354.3748632

>  <PCAT_CMPD_ID> (3,340)
WAY-344458

>  <CNC_ID> (3,340)
359319792

>  <transfer_container_id> (3,340)
PTN000000065

>  <COMPOUND_NUMBER> (3,340)
WAY-344458

>  <LOCATION_CODE> (3,340)
PTNCS

>  <AMOUNT_CURRENT> (3,340)
32.8

$$$$
WAY-311478
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,341)
3344

>  <Formula> (3,341)
C17H18ClFN2O4S

>  <MolWeight> (3,341)
400.8522232

>  <PCAT_CMPD_ID> (3,341)
WAY-311478

>  <CNC_ID> (3,341)
359315219

>  <transfer_container_id> (3,341)
PTN000000065

>  <COMPOUND_NUMBER> (3,341)
WAY-311478

>  <LOCATION_CODE> (3,341)
PTNCS

>  <AMOUNT_CURRENT> (3,341)
33.6

$$$$
WAY-312219
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,342)
3345

>  <Formula> (3,342)
C22H25N5O2S

>  <MolWeight> (3,342)
423.5312

>  <PCAT_CMPD_ID> (3,342)
WAY-312219

>  <CNC_ID> (3,342)
359315959

>  <transfer_container_id> (3,342)
PTN000000065

>  <COMPOUND_NUMBER> (3,342)
WAY-312219

>  <LOCATION_CODE> (3,342)
PTNCS

>  <AMOUNT_CURRENT> (3,342)
33.7

$$$$
WAY-345107
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,343)
3346

>  <Formula> (3,343)
C22H22FN5OS

>  <MolWeight> (3,343)
423.5063832

>  <PCAT_CMPD_ID> (3,343)
WAY-345107

>  <CNC_ID> (3,343)
359320415

>  <transfer_container_id> (3,343)
PTN000000065

>  <COMPOUND_NUMBER> (3,343)
WAY-345107

>  <LOCATION_CODE> (3,343)
PTNCS

>  <AMOUNT_CURRENT> (3,343)
32.5

$$$$
WAY-345240
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,344)
3347

>  <Formula> (3,344)
C16H15ClN4O2S2

>  <MolWeight> (3,344)
394.8989

>  <PCAT_CMPD_ID> (3,344)
WAY-345240

>  <CNC_ID> (3,344)
359320539

>  <transfer_container_id> (3,344)
PTN000000065

>  <COMPOUND_NUMBER> (3,344)
WAY-345240

>  <LOCATION_CODE> (3,344)
PTNCS

>  <AMOUNT_CURRENT> (3,344)
32.8

$$$$
WAY-310289
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,345)
3348

>  <Formula> (3,345)
C18H17N3O3S

>  <MolWeight> (3,345)
355.41088

>  <PCAT_CMPD_ID> (3,345)
WAY-310289

>  <CNC_ID> (3,345)
359314030

>  <transfer_container_id> (3,345)
PTN000000065

>  <COMPOUND_NUMBER> (3,345)
WAY-310289

>  <LOCATION_CODE> (3,345)
PTNCS

>  <AMOUNT_CURRENT> (3,345)
33.5

$$$$
WAY-311476
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,346)
3349

>  <Formula> (3,346)
C17H20N2O5

>  <MolWeight> (3,346)
332.3511

>  <PCAT_CMPD_ID> (3,346)
WAY-311476

>  <CNC_ID> (3,346)
359315217

>  <transfer_container_id> (3,346)
PTN000000065

>  <COMPOUND_NUMBER> (3,346)
WAY-311476

>  <LOCATION_CODE> (3,346)
PTNCS

>  <AMOUNT_CURRENT> (3,346)
33.7

$$$$
WAY-344898
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,347)
3350

>  <Formula> (3,347)
C19H18FN3OS

>  <MolWeight> (3,347)
355.4291232

>  <PCAT_CMPD_ID> (3,347)
WAY-344898

>  <CNC_ID> (3,347)
359320209

>  <transfer_container_id> (3,347)
PTN000000065

>  <COMPOUND_NUMBER> (3,347)
WAY-344898

>  <LOCATION_CODE> (3,347)
PTNCS

>  <AMOUNT_CURRENT> (3,347)
32.8

$$$$
WAY-344163
csChFnd80/10101909502D

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 10  1  1  0  0  0  0
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 22  6  1  0  0  0  0
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M  END
>  <Mol_ID> (3,348)
3351

>  <Formula> (3,348)
C23H18BrN3O3S

>  <MolWeight> (3,348)
496.37632

>  <PCAT_CMPD_ID> (3,348)
WAY-344163

>  <CNC_ID> (3,348)
359319499

>  <transfer_container_id> (3,348)
PTN000000065

>  <COMPOUND_NUMBER> (3,348)
WAY-344163

>  <LOCATION_CODE> (3,348)
PTNCS

>  <AMOUNT_CURRENT> (3,348)
32.6

$$$$
WAY-354344
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
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 17  5  2  0  0  0  0
 18  6  1  0  0  0  0
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 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,349)
3352

>  <Formula> (3,349)
C15H19Cl2NO

>  <MolWeight> (3,349)
300.22346

>  <PCAT_CMPD_ID> (3,349)
WAY-354344

>  <CNC_ID> (3,349)
359320927

>  <transfer_container_id> (3,349)
PTN000000065

>  <COMPOUND_NUMBER> (3,349)
WAY-354344

>  <LOCATION_CODE> (3,349)
PTNCS

>  <AMOUNT_CURRENT> (3,349)
32.3

$$$$
WAY-344519
csChFnd80/10101909502D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,350)
3353

>  <Formula> (3,350)
C25H27N3O5S

>  <MolWeight> (3,350)
481.56398

>  <PCAT_CMPD_ID> (3,350)
WAY-344519

>  <CNC_ID> (3,350)
359319842

>  <transfer_container_id> (3,350)
PTN000000065

>  <COMPOUND_NUMBER> (3,350)
WAY-344519

>  <LOCATION_CODE> (3,350)
PTNCS

>  <AMOUNT_CURRENT> (3,350)
32

$$$$
WAY-344171
csChFnd80/10101909502D

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 10  1  2  0  0  0  0
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 14  4  1  0  0  0  0
M  END
>  <Mol_ID> (3,351)
3354

>  <Formula> (3,351)
C17H21NOS

>  <MolWeight> (3,351)
287.41974

>  <PCAT_CMPD_ID> (3,351)
WAY-344171

>  <CNC_ID> (3,351)
359319507

>  <transfer_container_id> (3,351)
PTN000000065

>  <COMPOUND_NUMBER> (3,351)
WAY-344171

>  <LOCATION_CODE> (3,351)
PTNCS

>  <AMOUNT_CURRENT> (3,351)
32.6

$$$$
WAY-310962
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  8 10  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,352)
3355

>  <Formula> (3,352)
C17H17NO4

>  <MolWeight> (3,352)
299.32118

>  <PCAT_CMPD_ID> (3,352)
WAY-310962

>  <CNC_ID> (3,352)
359314704

>  <transfer_container_id> (3,352)
PTN000000065

>  <COMPOUND_NUMBER> (3,352)
WAY-310962

>  <LOCATION_CODE> (3,352)
PTNCS

>  <AMOUNT_CURRENT> (3,352)
33.2

$$$$
WAY-311528
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,353)
3356

>  <Formula> (3,353)
C10H9BrN4OS

>  <MolWeight> (3,353)
313.17366

>  <PCAT_CMPD_ID> (3,353)
WAY-311528

>  <CNC_ID> (3,353)
359315269

>  <transfer_container_id> (3,353)
PTN000000065

>  <COMPOUND_NUMBER> (3,353)
WAY-311528

>  <LOCATION_CODE> (3,353)
PTNCS

>  <AMOUNT_CURRENT> (3,353)
33.4

$$$$
WAY-344537
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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 19  1  1  0  0  0  0
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  3  7  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,354)
3357

>  <Formula> (3,354)
C14H13N3O3S

>  <MolWeight> (3,354)
303.33632

>  <PCAT_CMPD_ID> (3,354)
WAY-344537

>  <CNC_ID> (3,354)
359319860

>  <transfer_container_id> (3,354)
PTN000000065

>  <COMPOUND_NUMBER> (3,354)
WAY-344537

>  <LOCATION_CODE> (3,354)
PTNCS

>  <AMOUNT_CURRENT> (3,354)
32.3

$$$$
WAY-343761
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
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M  END
>  <Mol_ID> (3,355)
3358

>  <Formula> (3,355)
C20H20N2O4

>  <MolWeight> (3,355)
352.3838

>  <PCAT_CMPD_ID> (3,355)
WAY-343761

>  <CNC_ID> (3,355)
359319102

>  <transfer_container_id> (3,355)
PTN000000065

>  <COMPOUND_NUMBER> (3,355)
WAY-343761

>  <LOCATION_CODE> (3,355)
PTNCS

>  <AMOUNT_CURRENT> (3,355)
32.5

$$$$
WAY-311159
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,356)
3359

>  <Formula> (3,356)
C22H23BrN2O4

>  <MolWeight> (3,356)
459.33302

>  <PCAT_CMPD_ID> (3,356)
WAY-311159

>  <CNC_ID> (3,356)
359314900

>  <transfer_container_id> (3,356)
PTN000000065

>  <COMPOUND_NUMBER> (3,356)
WAY-311159

>  <LOCATION_CODE> (3,356)
PTNCS

>  <AMOUNT_CURRENT> (3,356)
33.5

$$$$
WAY-343601
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.4042   -3.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  2  0  0  0  0
 14  7  1  0  0  0  0
 15 13  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  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
  7  3  2  0  0  0  0
 15  9  2  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,357)
3360

>  <Formula> (3,357)
C15H13ClN4

>  <MolWeight> (3,357)
284.74352

>  <PCAT_CMPD_ID> (3,357)
WAY-343601

>  <CNC_ID> (3,357)
359319011

>  <transfer_container_id> (3,357)
PTN000000065

>  <COMPOUND_NUMBER> (3,357)
WAY-343601

>  <LOCATION_CODE> (3,357)
PTNCS

>  <AMOUNT_CURRENT> (3,357)
32.9

$$$$
WAY-311338
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.2310    0.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9276   -1.0103    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
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  5  9  1  0  0  0  0
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 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,358)
3361

>  <Formula> (3,358)
C9H15N3O2S2

>  <MolWeight> (3,358)
261.3643

>  <PCAT_CMPD_ID> (3,358)
WAY-311338

>  <CNC_ID> (3,358)
359315079

>  <transfer_container_id> (3,358)
PTN000000065

>  <COMPOUND_NUMBER> (3,358)
WAY-311338

>  <LOCATION_CODE> (3,358)
PTNCS

>  <AMOUNT_CURRENT> (3,358)
33.6

$$$$
WAY-312448
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0517   -0.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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  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  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  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
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,359)
3362

>  <Formula> (3,359)
C17H14N2O2

>  <MolWeight> (3,359)
278.30526

>  <PCAT_CMPD_ID> (3,359)
WAY-312448

>  <CNC_ID> (3,359)
359316188

>  <transfer_container_id> (3,359)
PTN000000065

>  <COMPOUND_NUMBER> (3,359)
WAY-312448

>  <LOCATION_CODE> (3,359)
PTNCS

>  <AMOUNT_CURRENT> (3,359)
33.9

$$$$
WAY-344665
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.9167   -2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19  3  1  0  0  0  0
 20 21  2  0  0  0  0
 21 13  1  0  0  0  0
 22 12  2  0  0  0  0
 23 19  1  0  0  0  0
 14 16  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,360)
3363

>  <Formula> (3,360)
C14H14F2N2O3S2

>  <MolWeight> (3,360)
360.3993664

>  <PCAT_CMPD_ID> (3,360)
WAY-344665

>  <CNC_ID> (3,360)
359319979

>  <transfer_container_id> (3,360)
PTN000000065

>  <COMPOUND_NUMBER> (3,360)
WAY-344665

>  <LOCATION_CODE> (3,360)
PTNCS

>  <AMOUNT_CURRENT> (3,360)
32.7

$$$$
WAY-345533
csChFnd80/10101909502D

 29 30  0  0  0  0  0  0  0  0999 V2000
   12.1917  -13.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  5  2  0  0  0  0
  4  3  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10 22  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  2  0  0  0  0
 13 21  1  0  0  0  0
 14  6  2  0  0  0  0
 15 11  2  0  0  0  0
 16  9  2  0  0  0  0
 17 13  2  0  0  0  0
 18  1  1  0  0  0  0
 19  1  1  0  0  0  0
 20  1  1  0  0  0  0
 21 23  1  0  0  0  0
 22 13  1  0  0  0  0
 23  9  1  0  0  0  0
 24  7  1  0  0  0  0
 25 15  1  0  0  0  0
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 27 11  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
  3  7  1  0  0  0  0
 25 29  2  0  0  0  0
M  END
>  <Mol_ID> (3,361)
3364

>  <Formula> (3,361)
C17H12BrClF3N3O4

>  <MolWeight> (3,361)
494.6470896

>  <PCAT_CMPD_ID> (3,361)
WAY-345533

>  <CNC_ID> (3,361)
359320795

>  <transfer_container_id> (3,361)
PTN000000065

>  <COMPOUND_NUMBER> (3,361)
WAY-345533

>  <LOCATION_CODE> (3,361)
PTNCS

>  <AMOUNT_CURRENT> (3,361)
32.8

$$$$
WAY-344559
csChFnd80/10101909502D

 27 28  0  0  0  0  0  0  0  0999 V2000
    9.3417  -12.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4542  -10.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 16  1  0  0  0  0
 11  8  2  0  0  0  0
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 16 18  1  0  0  0  0
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 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,362)
3365

>  <Formula> (3,362)
C17H14ClF3N2O4

>  <MolWeight> (3,362)
402.7522696

>  <PCAT_CMPD_ID> (3,362)
WAY-344559

>  <CNC_ID> (3,362)
359319882

>  <transfer_container_id> (3,362)
PTN000000065

>  <COMPOUND_NUMBER> (3,362)
WAY-344559

>  <LOCATION_CODE> (3,362)
PTNCS

>  <AMOUNT_CURRENT> (3,362)
32.2

$$$$
WAY-344151
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
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  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  6  2  0  0  0  0
 12  3  2  0  0  0  0
 13  8  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
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 20  4  1  0  0  0  0
 21  6  1  0  0  0  0
 22 11  1  0  0  0  0
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 16 18  2  0  0  0  0
 11 13  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,363)
3366

>  <Formula> (3,363)
C17H17FN2O3S

>  <MolWeight> (3,363)
348.3918832

>  <PCAT_CMPD_ID> (3,363)
WAY-344151

>  <CNC_ID> (3,363)
359319487

>  <transfer_container_id> (3,363)
PTN000000065

>  <COMPOUND_NUMBER> (3,363)
WAY-344151

>  <LOCATION_CODE> (3,363)
PTNCS

>  <AMOUNT_CURRENT> (3,363)
32.3

$$$$
WAY-342683
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  4  1  2  0  0  0  0
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  8  5  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  2  0  0  0  0
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 20 10  1  0  0  0  0
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 24 22  2  0  0  0  0
  7  3  2  0  0  0  0
 23 24  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,364)
3367

>  <Formula> (3,364)
C18H15Cl2N3O

>  <MolWeight> (3,364)
360.2372

>  <PCAT_CMPD_ID> (3,364)
WAY-342683

>  <CNC_ID> (3,364)
359318938

>  <transfer_container_id> (3,364)
PTN000000065

>  <COMPOUND_NUMBER> (3,364)
WAY-342683

>  <LOCATION_CODE> (3,364)
PTNCS

>  <AMOUNT_CURRENT> (3,364)
33

$$$$
WAY-342676
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
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 15  4  1  0  0  0  0
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  9 12  1  0  0  0  0
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 29 22  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,365)
3368

>  <Formula> (3,365)
C25H24N4O3

>  <MolWeight> (3,365)
428.48306

>  <PCAT_CMPD_ID> (3,365)
WAY-342676

>  <CNC_ID> (3,365)
359318931

>  <transfer_container_id> (3,365)
PTN000000065

>  <COMPOUND_NUMBER> (3,365)
WAY-342676

>  <LOCATION_CODE> (3,365)
PTNCS

>  <AMOUNT_CURRENT> (3,365)
32.4

$$$$
WAY-344302
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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M  END
>  <Mol_ID> (3,366)
3369

>  <Formula> (3,366)
C23H17NO4

>  <MolWeight> (3,366)
371.38538

>  <PCAT_CMPD_ID> (3,366)
WAY-344302

>  <CNC_ID> (3,366)
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>  <transfer_container_id> (3,366)
PTN000000065

>  <COMPOUND_NUMBER> (3,366)
WAY-344302

>  <LOCATION_CODE> (3,366)
PTNCS

>  <AMOUNT_CURRENT> (3,366)
33

$$$$
WAY-344061
csChFnd80/10101909502D

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 10  8  1  0  0  0  0
 11  7  2  0  0  0  0
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 15  4  1  0  0  0  0
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  3  5  1  0  0  0  0
 11  9  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,367)
3370

>  <Formula> (3,367)
C17H15ClN2O2

>  <MolWeight> (3,367)
314.7662

>  <PCAT_CMPD_ID> (3,367)
WAY-344061

>  <CNC_ID> (3,367)
359319398

>  <transfer_container_id> (3,367)
PTN000000065

>  <COMPOUND_NUMBER> (3,367)
WAY-344061

>  <LOCATION_CODE> (3,367)
PTNCS

>  <AMOUNT_CURRENT> (3,367)
33

$$$$
WAY-312138
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,368)
3371

>  <Formula> (3,368)
C21H18ClN3O4

>  <MolWeight> (3,368)
411.83832

>  <PCAT_CMPD_ID> (3,368)
WAY-312138

>  <CNC_ID> (3,368)
359315878

>  <transfer_container_id> (3,368)
PTN000000065

>  <COMPOUND_NUMBER> (3,368)
WAY-312138

>  <LOCATION_CODE> (3,368)
PTNCS

>  <AMOUNT_CURRENT> (3,368)
33.4

$$$$
WAY-344646
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
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 16  8  1  0  0  0  0
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 18  1  2  0  0  0  0
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M  END
>  <Mol_ID> (3,369)
3372

>  <Formula> (3,369)
C14H11F2NO4

>  <MolWeight> (3,369)
295.2382464

>  <PCAT_CMPD_ID> (3,369)
WAY-344646

>  <CNC_ID> (3,369)
359319963

>  <transfer_container_id> (3,369)
PTN000000065

>  <COMPOUND_NUMBER> (3,369)
WAY-344646

>  <LOCATION_CODE> (3,369)
PTNCS

>  <AMOUNT_CURRENT> (3,369)
32.2

$$$$
WAY-345054
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (3,370)
3373

>  <Formula> (3,370)
C15H19N3O3S

>  <MolWeight> (3,370)
321.39466

>  <PCAT_CMPD_ID> (3,370)
WAY-345054

>  <CNC_ID> (3,370)
359320364

>  <transfer_container_id> (3,370)
PTN000000065

>  <COMPOUND_NUMBER> (3,370)
WAY-345054

>  <LOCATION_CODE> (3,370)
PTNCS

>  <AMOUNT_CURRENT> (3,370)
32.9

$$$$
WAY-312337
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,371)
3374

>  <Formula> (3,371)
C22H17ClN2O3S

>  <MolWeight> (3,371)
424.89998

>  <PCAT_CMPD_ID> (3,371)
WAY-312337

>  <CNC_ID> (3,371)
359316077

>  <transfer_container_id> (3,371)
PTN000000065

>  <COMPOUND_NUMBER> (3,371)
WAY-312337

>  <LOCATION_CODE> (3,371)
PTNCS

>  <AMOUNT_CURRENT> (3,371)
33.4

$$$$
WAY-345287
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,372)
3375

>  <Formula> (3,372)
C7H12N2O3

>  <MolWeight> (3,372)
172.18178

>  <PCAT_CMPD_ID> (3,372)
WAY-345287

>  <CNC_ID> (3,372)
359320580

>  <transfer_container_id> (3,372)
PTN000000065

>  <COMPOUND_NUMBER> (3,372)
WAY-345287

>  <LOCATION_CODE> (3,372)
PTNCS

>  <AMOUNT_CURRENT> (3,372)
32.9

$$$$
WAY-344633-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,373)
3376

>  <Formula> (3,373)
C14H21N3

>  <MolWeight> (3,373)
231.33664

>  <PCAT_CMPD_ID> (3,373)
WAY-344633-A

>  <CNC_ID> (3,373)
359319950

>  <transfer_container_id> (3,373)
PTN000000065

>  <COMPOUND_NUMBER> (3,373)
WAY-344633-A

>  <LOCATION_CODE> (3,373)
PTNCS

>  <AMOUNT_CURRENT> (3,373)
32.3

$$$$
WAY-312172-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,374)
3377

>  <Formula> (3,374)
C15H23NO

>  <MolWeight> (3,374)
233.34922

>  <PCAT_CMPD_ID> (3,374)
WAY-312172-A

>  <CNC_ID> (3,374)
359315912

>  <transfer_container_id> (3,374)
PTN000000065

>  <COMPOUND_NUMBER> (3,374)
WAY-312172-A

>  <LOCATION_CODE> (3,374)
PTNCS

>  <AMOUNT_CURRENT> (3,374)
33.7

$$$$
WAY-343877
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,375)
3378

>  <Formula> (3,375)
C16H15ClN2O2

>  <MolWeight> (3,375)
302.7555

>  <PCAT_CMPD_ID> (3,375)
WAY-343877

>  <CNC_ID> (3,375)
359319218

>  <transfer_container_id> (3,375)
PTN000000065

>  <COMPOUND_NUMBER> (3,375)
WAY-343877

>  <LOCATION_CODE> (3,375)
PTNCS

>  <AMOUNT_CURRENT> (3,375)
32.5

$$$$
WAY-344917
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,376)
3379

>  <Formula> (3,376)
C16H21N3O3

>  <MolWeight> (3,376)
303.35624

>  <PCAT_CMPD_ID> (3,376)
WAY-344917

>  <CNC_ID> (3,376)
359320228

>  <transfer_container_id> (3,376)
PTN000000065

>  <COMPOUND_NUMBER> (3,376)
WAY-344917

>  <LOCATION_CODE> (3,376)
PTNCS

>  <AMOUNT_CURRENT> (3,376)
33

$$$$
WAY-343959
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,377)
3380

>  <Formula> (3,377)
C16H16Cl2N2O4

>  <MolWeight> (3,377)
371.21524

>  <PCAT_CMPD_ID> (3,377)
WAY-343959

>  <CNC_ID> (3,377)
359319298

>  <transfer_container_id> (3,377)
PTN000000065

>  <COMPOUND_NUMBER> (3,377)
WAY-343959

>  <LOCATION_CODE> (3,377)
PTNCS

>  <AMOUNT_CURRENT> (3,377)
32.5

$$$$
WAY-118492-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,378)
3381

>  <Formula> (3,378)
C23H27FN2O

>  <MolWeight> (3,378)
366.4716832

>  <PCAT_CMPD_ID> (3,378)
WAY-118492-A

>  <CNC_ID> (3,378)
359313739

>  <transfer_container_id> (3,378)
PTN000000065

>  <COMPOUND_NUMBER> (3,378)
WAY-118492-A

>  <LOCATION_CODE> (3,378)
PTNCS

>  <AMOUNT_CURRENT> (3,378)
33

$$$$
WAY-345078
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
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 14  5  1  0  0  0  0
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M  END
>  <Mol_ID> (3,379)
3382

>  <Formula> (3,379)
C16H23N3O2

>  <MolWeight> (3,379)
289.37272

>  <PCAT_CMPD_ID> (3,379)
WAY-345078

>  <CNC_ID> (3,379)
359320388

>  <transfer_container_id> (3,379)
PTN000000065

>  <COMPOUND_NUMBER> (3,379)
WAY-345078

>  <LOCATION_CODE> (3,379)
PTNCS

>  <AMOUNT_CURRENT> (3,379)
32.6

$$$$
WAY-113132
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 14 16  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,380)
3383

>  <Formula> (3,380)
C19H20N2O2

>  <MolWeight> (3,380)
308.3743

>  <PCAT_CMPD_ID> (3,380)
WAY-113132

>  <CNC_ID> (3,380)
359326815

>  <transfer_container_id> (3,380)
PTN000000067

>  <COMPOUND_NUMBER> (3,380)
WAY-113132

>  <LOCATION_CODE> (3,380)
PTNCS

>  <AMOUNT_CURRENT> (3,380)
33.5

$$$$
WAY-216671
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 15 13  2  0  0  0  0
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M  END
>  <Mol_ID> (3,381)
3384

>  <Formula> (3,381)
C17H14FNO2

>  <MolWeight> (3,381)
283.2969632

>  <PCAT_CMPD_ID> (3,381)
WAY-216671

>  <CNC_ID> (3,381)
359313792

>  <transfer_container_id> (3,381)
PTN000000065

>  <COMPOUND_NUMBER> (3,381)
WAY-216671

>  <LOCATION_CODE> (3,381)
PTNCS

>  <AMOUNT_CURRENT> (3,381)
33.4

$$$$
WAY-345524
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  6  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  5  2  0  0  0  0
 12  2  1  0  0  0  0
 13  7  2  0  0  0  0
 14  4  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17 10  1  0  0  0  0
 18 22  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
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 22 24  2  0  0  0  0
 23 19  2  0  0  0  0
 24 19  1  0  0  0  0
  6  4  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,382)
3385

>  <Formula> (3,382)
C15H10Cl4N2O3

>  <MolWeight> (3,382)
408.0635

>  <PCAT_CMPD_ID> (3,382)
WAY-345524

>  <CNC_ID> (3,382)
359320786

>  <transfer_container_id> (3,382)
PTN000000065

>  <COMPOUND_NUMBER> (3,382)
WAY-345524

>  <LOCATION_CODE> (3,382)
PTNCS

>  <AMOUNT_CURRENT> (3,382)
32.7

$$$$
WAY-345435
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
   13.8042  -12.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1667  -13.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1500  -11.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0542   -7.1167    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  3  1  0  0  0  0
  6 10  1  0  0  0  0
  7  2  2  0  0  0  0
  8  3  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13  1  2  0  0  0  0
 14 11  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 15 19  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,383)
3386

>  <Formula> (3,383)
C17H17ClN2O2

>  <MolWeight> (3,383)
316.78208

>  <PCAT_CMPD_ID> (3,383)
WAY-345435

>  <CNC_ID> (3,383)
359320705

>  <transfer_container_id> (3,383)
PTN000000065

>  <COMPOUND_NUMBER> (3,383)
WAY-345435

>  <LOCATION_CODE> (3,383)
PTNCS

>  <AMOUNT_CURRENT> (3,383)
32.9

$$$$
WAY-345576
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   15.9792   -9.5625    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  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  2  0  0  0  0
 13 11  1  0  0  0  0
 14 16  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18  4  2  0  0  0  0
 19  5  2  0  0  0  0
 20 22  2  0  0  0  0
 21 20  1  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 18  1  0  0  0  0
  5  4  1  0  0  0  0
 23 24  2  0  0  0  0
 15 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,384)
3387

>  <Formula> (3,384)
C18H15ClN2O3

>  <MolWeight> (3,384)
342.7763

>  <PCAT_CMPD_ID> (3,384)
WAY-345576

>  <CNC_ID> (3,384)
359320833

>  <transfer_container_id> (3,384)
PTN000000065

>  <COMPOUND_NUMBER> (3,384)
WAY-345576

>  <LOCATION_CODE> (3,384)
PTNCS

>  <AMOUNT_CURRENT> (3,384)
32.2

$$$$
WAY-345543
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.4417   -4.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
  4  1  2  0  0  0  0
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  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  3  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
  2  3  1  0  0  0  0
 23 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,385)
3388

>  <Formula> (3,385)
C15H12ClF3N2O2

>  <MolWeight> (3,385)
344.7161896

>  <PCAT_CMPD_ID> (3,385)
WAY-345543

>  <CNC_ID> (3,385)
359320805

>  <transfer_container_id> (3,385)
PTN000000065

>  <COMPOUND_NUMBER> (3,385)
WAY-345543

>  <LOCATION_CODE> (3,385)
PTNCS

>  <AMOUNT_CURRENT> (3,385)
33

$$$$
WAY-344304
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  2  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
 16  3  2  0  0  0  0
 17 14  1  0  0  0  0
 18 20  1  0  0  0  0
 19  9  1  0  0  0  0
 20 13  2  0  0  0  0
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 23  8  1  0  0  0  0
 24  8  1  0  0  0  0
 25 10  1  0  0  0  0
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 27 24  1  0  0  0  0
  7 18  2  0  0  0  0
 15 17  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,386)
3389

>  <Formula> (3,386)
C20H29ClN2O3S

>  <MolWeight> (3,386)
412.97386

>  <PCAT_CMPD_ID> (3,386)
WAY-344304

>  <CNC_ID> (3,386)
359319640

>  <transfer_container_id> (3,386)
PTN000000065

>  <COMPOUND_NUMBER> (3,386)
WAY-344304

>  <LOCATION_CODE> (3,386)
PTNCS

>  <AMOUNT_CURRENT> (3,386)
32.5

$$$$
WAY-311093
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,387)
3390

>  <Formula> (3,387)
C18H20N2O3S

>  <MolWeight> (3,387)
344.428

>  <PCAT_CMPD_ID> (3,387)
WAY-311093

>  <CNC_ID> (3,387)
359314835

>  <transfer_container_id> (3,387)
PTN000000065

>  <COMPOUND_NUMBER> (3,387)
WAY-311093

>  <LOCATION_CODE> (3,387)
PTNCS

>  <AMOUNT_CURRENT> (3,387)
33.6

$$$$
WAY-243153-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,388)
3391

>  <Formula> (3,388)
C12H24N2O2S

>  <MolWeight> (3,388)
260.39616

>  <PCAT_CMPD_ID> (3,388)
WAY-243153-A

>  <CNC_ID> (3,388)
359314000

>  <transfer_container_id> (3,388)
PTN000000065

>  <COMPOUND_NUMBER> (3,388)
WAY-243153-A

>  <LOCATION_CODE> (3,388)
PTNCS

>  <AMOUNT_CURRENT> (3,388)
33.5

$$$$
WAY-344474
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,389)
3392

>  <Formula> (3,389)
C17H17Cl2N3O

>  <MolWeight> (3,389)
350.24238

>  <PCAT_CMPD_ID> (3,389)
WAY-344474

>  <CNC_ID> (3,389)
359319808

>  <transfer_container_id> (3,389)
PTN000000065

>  <COMPOUND_NUMBER> (3,389)
WAY-344474

>  <LOCATION_CODE> (3,389)
PTNCS

>  <AMOUNT_CURRENT> (3,389)
32.9

$$$$
WAY-311328
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,390)
3393

>  <Formula> (3,390)
C16H23NO4

>  <MolWeight> (3,390)
293.35812

>  <PCAT_CMPD_ID> (3,390)
WAY-311328

>  <CNC_ID> (3,390)
359315069

>  <transfer_container_id> (3,390)
PTN000000065

>  <COMPOUND_NUMBER> (3,390)
WAY-311328

>  <LOCATION_CODE> (3,390)
PTNCS

>  <AMOUNT_CURRENT> (3,390)
33.4

$$$$
WAY-112770
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  7  9  2  0  0  0  0
 16 17  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,391)
3394

>  <Formula> (3,391)
C16H9ClO6

>  <MolWeight> (3,391)
332.69206

>  <PCAT_CMPD_ID> (3,391)
WAY-112770

>  <CNC_ID> (3,391)
359313681

>  <transfer_container_id> (3,391)
PTN000000065

>  <COMPOUND_NUMBER> (3,391)
WAY-112770

>  <LOCATION_CODE> (3,391)
PTNCS

>  <AMOUNT_CURRENT> (3,391)
33.3

$$$$
WAY-310654-A
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,392)
3395

>  <Formula> (3,392)
C20H24N2O2S

>  <MolWeight> (3,392)
356.48176

>  <PCAT_CMPD_ID> (3,392)
WAY-310654-A

>  <CNC_ID> (3,392)
359314395

>  <transfer_container_id> (3,392)
PTN000000065

>  <COMPOUND_NUMBER> (3,392)
WAY-310654-A

>  <LOCATION_CODE> (3,392)
PTNCS

>  <AMOUNT_CURRENT> (3,392)
33.6

$$$$
WAY-311544
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,393)
3396

>  <Formula> (3,393)
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>  <MolWeight> (3,393)
315.42984

>  <PCAT_CMPD_ID> (3,393)
WAY-311544

>  <CNC_ID> (3,393)
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>  <transfer_container_id> (3,393)
PTN000000065

>  <COMPOUND_NUMBER> (3,393)
WAY-311544

>  <LOCATION_CODE> (3,393)
PTNCS

>  <AMOUNT_CURRENT> (3,393)
33.9

$$$$
WAY-311504
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,394)
3397

>  <Formula> (3,394)
C15H16BrNO2S

>  <MolWeight> (3,394)
354.26204

>  <PCAT_CMPD_ID> (3,394)
WAY-311504

>  <CNC_ID> (3,394)
359315245

>  <transfer_container_id> (3,394)
PTN000000065

>  <COMPOUND_NUMBER> (3,394)
WAY-311504

>  <LOCATION_CODE> (3,394)
PTNCS

>  <AMOUNT_CURRENT> (3,394)
33.2

$$$$
WAY-344843
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,395)
3398

>  <Formula> (3,395)
C20H20N2O4

>  <MolWeight> (3,395)
352.3838

>  <PCAT_CMPD_ID> (3,395)
WAY-344843

>  <CNC_ID> (3,395)
359320154

>  <transfer_container_id> (3,395)
PTN000000065

>  <COMPOUND_NUMBER> (3,395)
WAY-344843

>  <LOCATION_CODE> (3,395)
PTNCS

>  <AMOUNT_CURRENT> (3,395)
32.4

$$$$
WAY-312023
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (3,396)
3399

>  <Formula> (3,396)
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>  <MolWeight> (3,396)
291.16308

>  <PCAT_CMPD_ID> (3,396)
WAY-312023

>  <CNC_ID> (3,396)
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>  <transfer_container_id> (3,396)
PTN000000065

>  <COMPOUND_NUMBER> (3,396)
WAY-312023

>  <LOCATION_CODE> (3,396)
PTNCS

>  <AMOUNT_CURRENT> (3,396)
33.7

$$$$
CL-425856
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,397)
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>  <Formula> (3,397)
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>  <MolWeight> (3,397)
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>  <PCAT_CMPD_ID> (3,397)
CL-425856

>  <CNC_ID> (3,397)
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>  <transfer_container_id> (3,397)
PTN000000065

>  <COMPOUND_NUMBER> (3,397)
CL-425856

>  <LOCATION_CODE> (3,397)
PTNCS

>  <AMOUNT_CURRENT> (3,397)
33.4

$$$$
WAY-311585
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,398)
3401

>  <Formula> (3,398)
C21H17ClN2O2

>  <MolWeight> (3,398)
364.82488

>  <PCAT_CMPD_ID> (3,398)
WAY-311585

>  <CNC_ID> (3,398)
359315326

>  <transfer_container_id> (3,398)
PTN000000065

>  <COMPOUND_NUMBER> (3,398)
WAY-311585

>  <LOCATION_CODE> (3,398)
PTNCS

>  <AMOUNT_CURRENT> (3,398)
33.1

$$$$
WAY-345322
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 11  2  2  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15  8  2  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  1  0  0  0  0
 20  5  2  0  0  0  0
 21 22  2  0  0  0  0
 22 20  1  0  0  0  0
 18 13  2  0  0  0  0
 21  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,399)
3402

>  <Formula> (3,399)
C14H9BrCl2N2O3

>  <MolWeight> (3,399)
404.04286

>  <PCAT_CMPD_ID> (3,399)
WAY-345322

>  <CNC_ID> (3,399)
359320594

>  <transfer_container_id> (3,399)
PTN000000065

>  <COMPOUND_NUMBER> (3,399)
WAY-345322

>  <LOCATION_CODE> (3,399)
PTNCS

>  <AMOUNT_CURRENT> (3,399)
32.4

$$$$
WAY-344484
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
 11  7  2  0  0  0  0
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 13  8  2  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  9  2  0  0  0  0
 19 12  2  0  0  0  0
 20 14  1  0  0  0  0
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 22 23  2  0  0  0  0
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 26 24  2  0  0  0  0
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 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,400)
3403

>  <Formula> (3,400)
C20H18N2O3S

>  <MolWeight> (3,400)
366.43352

>  <PCAT_CMPD_ID> (3,400)
WAY-344484

>  <CNC_ID> (3,400)
359319817

>  <transfer_container_id> (3,400)
PTN000000065

>  <COMPOUND_NUMBER> (3,400)
WAY-344484

>  <LOCATION_CODE> (3,400)
PTNCS

>  <AMOUNT_CURRENT> (3,400)
32.9

$$$$
WAY-345504
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
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 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17  3  1  0  0  0  0
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  7  3  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,401)
3404

>  <Formula> (3,401)
C15H12BrNO4S

>  <MolWeight> (3,401)
382.22908

>  <PCAT_CMPD_ID> (3,401)
WAY-345504

>  <CNC_ID> (3,401)
359320773

>  <transfer_container_id> (3,401)
PTN000000065

>  <COMPOUND_NUMBER> (3,401)
WAY-345504

>  <LOCATION_CODE> (3,401)
PTNCS

>  <AMOUNT_CURRENT> (3,401)
32.9

$$$$
WAY-310911
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,402)
3405

>  <Formula> (3,402)
C14H23N3OS

>  <MolWeight> (3,402)
281.41692

>  <PCAT_CMPD_ID> (3,402)
WAY-310911

>  <CNC_ID> (3,402)
359314653

>  <transfer_container_id> (3,402)
PTN000000065

>  <COMPOUND_NUMBER> (3,402)
WAY-310911

>  <LOCATION_CODE> (3,402)
PTNCS

>  <AMOUNT_CURRENT> (3,402)
33.4

$$$$
WAY-344047
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 12  7  2  0  0  0  0
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 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
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 26 21  1  0  0  0  0
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 19 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,403)
3406

>  <Formula> (3,403)
C17H12Cl2FN3OS2

>  <MolWeight> (3,403)
428.3310832

>  <PCAT_CMPD_ID> (3,403)
WAY-344047

>  <CNC_ID> (3,403)
359319384

>  <transfer_container_id> (3,403)
PTN000000065

>  <COMPOUND_NUMBER> (3,403)
WAY-344047

>  <LOCATION_CODE> (3,403)
PTNCS

>  <AMOUNT_CURRENT> (3,403)
32.3

$$$$
WAY-311624
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,404)
3407

>  <Formula> (3,404)
C20H18N2O5

>  <MolWeight> (3,404)
366.36732

>  <PCAT_CMPD_ID> (3,404)
WAY-311624

>  <CNC_ID> (3,404)
359315365

>  <transfer_container_id> (3,404)
PTN000000065

>  <COMPOUND_NUMBER> (3,404)
WAY-311624

>  <LOCATION_CODE> (3,404)
PTNCS

>  <AMOUNT_CURRENT> (3,404)
33.4

$$$$
WAY-345482-A
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15  4  1  0  0  0  0
 16  3  1  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 12  4  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,405)
3408

>  <Formula> (3,405)
C15H22FN3O

>  <MolWeight> (3,405)
279.3530832

>  <PCAT_CMPD_ID> (3,405)
WAY-345482-A

>  <CNC_ID> (3,405)
359320751

>  <transfer_container_id> (3,405)
PTN000000065

>  <COMPOUND_NUMBER> (3,405)
WAY-345482-A

>  <LOCATION_CODE> (3,405)
PTNCS

>  <AMOUNT_CURRENT> (3,405)
32.4

$$$$
WAY-344517
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  4  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
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 18  8  1  0  0  0  0
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 20  7  2  0  0  0  0
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 15 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,406)
3409

>  <Formula> (3,406)
C18H20BrN3O4S2

>  <MolWeight> (3,406)
486.4031

>  <PCAT_CMPD_ID> (3,406)
WAY-344517

>  <CNC_ID> (3,406)
359319840

>  <transfer_container_id> (3,406)
PTN000000065

>  <COMPOUND_NUMBER> (3,406)
WAY-344517

>  <LOCATION_CODE> (3,406)
PTNCS

>  <AMOUNT_CURRENT> (3,406)
32.1

$$$$
WAY-312366
csChFnd80/10101909502D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 36 37  2  0  0  0  0
M  END
>  <Mol_ID> (3,407)
3410

>  <Formula> (3,407)
C28H19N3O6

>  <MolWeight> (3,407)
493.46696

>  <PCAT_CMPD_ID> (3,407)
WAY-312366

>  <CNC_ID> (3,407)
359316106

>  <transfer_container_id> (3,407)
PTN000000065

>  <COMPOUND_NUMBER> (3,407)
WAY-312366

>  <LOCATION_CODE> (3,407)
PTNCS

>  <AMOUNT_CURRENT> (3,407)
33.4

$$$$
WAY-344332
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,408)
3411

>  <Formula> (3,408)
C20H16ClFN4O3

>  <MolWeight> (3,408)
414.8174432

>  <PCAT_CMPD_ID> (3,408)
WAY-344332

>  <CNC_ID> (3,408)
359319667

>  <transfer_container_id> (3,408)
PTN000000065

>  <COMPOUND_NUMBER> (3,408)
WAY-344332

>  <LOCATION_CODE> (3,408)
PTNCS

>  <AMOUNT_CURRENT> (3,408)
32.7

$$$$
WAY-233545
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 16  7  1  0  0  0  0
 17  3  1  0  0  0  0
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 19  5  1  0  0  0  0
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 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,409)
3412

>  <Formula> (3,409)
C15H20N2O3

>  <MolWeight> (3,409)
276.3309

>  <PCAT_CMPD_ID> (3,409)
WAY-233545

>  <CNC_ID> (3,409)
359313914

>  <transfer_container_id> (3,409)
PTN000000065

>  <COMPOUND_NUMBER> (3,409)
WAY-233545

>  <LOCATION_CODE> (3,409)
PTNCS

>  <AMOUNT_CURRENT> (3,409)
33.2

$$$$
WAY-311563
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 19 20  1  0  0  0  0
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M  END
>  <Mol_ID> (3,410)
3413

>  <Formula> (3,410)
C20H17N3O4

>  <MolWeight> (3,410)
363.36668

>  <PCAT_CMPD_ID> (3,410)
WAY-311563

>  <CNC_ID> (3,410)
359315304

>  <transfer_container_id> (3,410)
PTN000000065

>  <COMPOUND_NUMBER> (3,410)
WAY-311563

>  <LOCATION_CODE> (3,410)
PTNCS

>  <AMOUNT_CURRENT> (3,410)
33.1

$$$$
WAY-236556
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,411)
3414

>  <Formula> (3,411)
C20H24N2O4

>  <MolWeight> (3,411)
356.41556

>  <PCAT_CMPD_ID> (3,411)
WAY-236556

>  <CNC_ID> (3,411)
359313945

>  <transfer_container_id> (3,411)
PTN000000065

>  <COMPOUND_NUMBER> (3,411)
WAY-236556

>  <LOCATION_CODE> (3,411)
PTNCS

>  <AMOUNT_CURRENT> (3,411)
33.1

$$$$
WAY-345011
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,412)
3415

>  <Formula> (3,412)
C15H20F2N2O2

>  <MolWeight> (3,412)
298.3283064

>  <PCAT_CMPD_ID> (3,412)
WAY-345011

>  <CNC_ID> (3,412)
359320321

>  <transfer_container_id> (3,412)
PTN000000065

>  <COMPOUND_NUMBER> (3,412)
WAY-345011

>  <LOCATION_CODE> (3,412)
PTNCS

>  <AMOUNT_CURRENT> (3,412)
32.1

$$$$
WAY-116263
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 12 18  1  0  0  0  0
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 17 20  1  0  0  0  0
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 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,413)
3416

>  <Formula> (3,413)
C20H22N2O2

>  <MolWeight> (3,413)
322.40088

>  <PCAT_CMPD_ID> (3,413)
WAY-116263

>  <CNC_ID> (3,413)
359313711

>  <transfer_container_id> (3,413)
PTN000000065

>  <COMPOUND_NUMBER> (3,413)
WAY-116263

>  <LOCATION_CODE> (3,413)
PTNCS

>  <AMOUNT_CURRENT> (3,413)
33.6

$$$$
WAY-344649
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
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 15  4  2  0  0  0  0
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 17  4  1  0  0  0  0
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 21  3  1  0  0  0  0
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M  END
>  <Mol_ID> (3,414)
3417

>  <Formula> (3,414)
C19H13Cl2N3O3

>  <MolWeight> (3,414)
402.23082

>  <PCAT_CMPD_ID> (3,414)
WAY-344649

>  <CNC_ID> (3,414)
359319966

>  <transfer_container_id> (3,414)
PTN000000065

>  <COMPOUND_NUMBER> (3,414)
WAY-344649

>  <LOCATION_CODE> (3,414)
PTNCS

>  <AMOUNT_CURRENT> (3,414)
32.2

$$$$
WAY-345198
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 15  3  1  0  0  0  0
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 14  9  2  0  0  0  0
 20 24  2  0  0  0  0
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M  END
>  <Mol_ID> (3,415)
3418

>  <Formula> (3,415)
C21H17ClN2O3

>  <MolWeight> (3,415)
380.82428

>  <PCAT_CMPD_ID> (3,415)
WAY-345198

>  <CNC_ID> (3,415)
359320500

>  <transfer_container_id> (3,415)
PTN000000065

>  <COMPOUND_NUMBER> (3,415)
WAY-345198

>  <LOCATION_CODE> (3,415)
PTNCS

>  <AMOUNT_CURRENT> (3,415)
32.5

$$$$
WAY-345582
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (3,416)
3419

>  <Formula> (3,416)
C22H17FN2O4

>  <MolWeight> (3,416)
392.3797832

>  <PCAT_CMPD_ID> (3,416)
WAY-345582

>  <CNC_ID> (3,416)
359320839

>  <transfer_container_id> (3,416)
PTN000000065

>  <COMPOUND_NUMBER> (3,416)
WAY-345582

>  <LOCATION_CODE> (3,416)
PTNCS

>  <AMOUNT_CURRENT> (3,416)
32.4

$$$$
WAY-344951
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
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 10  2  2  0  0  0  0
 11  4  2  0  0  0  0
 12  7  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16 19  2  0  0  0  0
 17 12  1  0  0  0  0
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 23 18  1  0  0  0  0
 20 22  1  0  0  0  0
 10 16  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,417)
3420

>  <Formula> (3,417)
C20H17NO2

>  <MolWeight> (3,417)
303.35448

>  <PCAT_CMPD_ID> (3,417)
WAY-344951

>  <CNC_ID> (3,417)
359320262

>  <transfer_container_id> (3,417)
PTN000000065

>  <COMPOUND_NUMBER> (3,417)
WAY-344951

>  <LOCATION_CODE> (3,417)
PTNCS

>  <AMOUNT_CURRENT> (3,417)
32.5

$$$$
WAY-344014
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  6 17  1  0  0  0  0
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 10  6  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  3  2  0  0  0  0
 14  6  2  0  0  0  0
 15 20  2  0  0  0  0
 16 19  1  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21  5  2  0  0  0  0
 22 11  1  0  0  0  0
 23 11  1  0  0  0  0
 24 11  1  0  0  0  0
 25  8  2  0  0  0  0
 26 21  1  0  0  0  0
 27 25  1  0  0  0  0
  5  8  1  0  0  0  0
 26 27  2  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,418)
3421

>  <Formula> (3,418)
C21H23NO5

>  <MolWeight> (3,418)
369.41102

>  <PCAT_CMPD_ID> (3,418)
WAY-344014

>  <CNC_ID> (3,418)
359319352

>  <transfer_container_id> (3,418)
PTN000000065

>  <COMPOUND_NUMBER> (3,418)
WAY-344014

>  <LOCATION_CODE> (3,418)
PTNCS

>  <AMOUNT_CURRENT> (3,418)
32.5

$$$$
WAY-311391
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 11 17  2  0  0  0  0
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 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,419)
3422

>  <Formula> (3,419)
C20H15ClN2O2

>  <MolWeight> (3,419)
350.7983

>  <PCAT_CMPD_ID> (3,419)
WAY-311391

>  <CNC_ID> (3,419)
359315132

>  <transfer_container_id> (3,419)
PTN000000065

>  <COMPOUND_NUMBER> (3,419)
WAY-311391

>  <LOCATION_CODE> (3,419)
PTNCS

>  <AMOUNT_CURRENT> (3,419)
33

$$$$
WAY-313182
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 11 18  1  0  0  0  0
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  9 13  2  0  0  0  0
 16 21  2  0  0  0  0
 18 19  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,420)
3423

>  <Formula> (3,420)
C19H14N2O2S

>  <MolWeight> (3,420)
334.39166

>  <PCAT_CMPD_ID> (3,420)
WAY-313182

>  <CNC_ID> (3,420)
359328218

>  <transfer_container_id> (3,420)
PTN000000067

>  <COMPOUND_NUMBER> (3,420)
WAY-313182

>  <LOCATION_CODE> (3,420)
PTNCS

>  <AMOUNT_CURRENT> (3,420)
33.9

$$$$
WAY-343855
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
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M  END
>  <Mol_ID> (3,421)
3424

>  <Formula> (3,421)
C18H14IN3O4

>  <MolWeight> (3,421)
463.22593

>  <PCAT_CMPD_ID> (3,421)
WAY-343855

>  <CNC_ID> (3,421)
359319196

>  <transfer_container_id> (3,421)
PTN000000065

>  <COMPOUND_NUMBER> (3,421)
WAY-343855

>  <LOCATION_CODE> (3,421)
PTNCS

>  <AMOUNT_CURRENT> (3,421)
32.5

$$$$
WAY-345138
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (3,422)
3425

>  <Formula> (3,422)
C23H18N2O5

>  <MolWeight> (3,422)
402.39942

>  <PCAT_CMPD_ID> (3,422)
WAY-345138

>  <CNC_ID> (3,422)
359320441

>  <transfer_container_id> (3,422)
PTN000000065

>  <COMPOUND_NUMBER> (3,422)
WAY-345138

>  <LOCATION_CODE> (3,422)
PTNCS

>  <AMOUNT_CURRENT> (3,422)
32.8

$$$$
WAY-344371
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10 20  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  0  0  0  0
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 16  7  2  0  0  0  0
 17  3  1  0  0  0  0
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 21  8  1  0  0  0  0
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 24  5  2  0  0  0  0
 25  6  2  0  0  0  0
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 29 24  1  0  0  0  0
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M  END
>  <Mol_ID> (3,423)
3426

>  <Formula> (3,423)
C19H15Cl2N3O5

>  <MolWeight> (3,423)
436.2455

>  <PCAT_CMPD_ID> (3,423)
WAY-344371

>  <CNC_ID> (3,423)
359319706

>  <transfer_container_id> (3,423)
PTN000000065

>  <COMPOUND_NUMBER> (3,423)
WAY-344371

>  <LOCATION_CODE> (3,423)
PTNCS

>  <AMOUNT_CURRENT> (3,423)
33

$$$$
WAY-343658
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 12  2  2  0  0  0  0
 13  4  2  0  0  0  0
 14  1  1  0  0  0  0
 15  1  1  0  0  0  0
 16  1  1  0  0  0  0
 17 21  1  0  0  0  0
 18  8  1  0  0  0  0
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 23  2  1  0  0  0  0
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 25 24  1  0  0  0  0
 25 20  2  0  0  0  0
  6  3  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,424)
3427

>  <Formula> (3,424)
C18H13F3O4

>  <MolWeight> (3,424)
350.2886296

>  <PCAT_CMPD_ID> (3,424)
WAY-343658

>  <CNC_ID> (3,424)
359319012

>  <transfer_container_id> (3,424)
PTN000000065

>  <COMPOUND_NUMBER> (3,424)
WAY-343658

>  <LOCATION_CODE> (3,424)
PTNCS

>  <AMOUNT_CURRENT> (3,424)
32.9

$$$$
WAY-345179
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
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 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,425)
3428

>  <Formula> (3,425)
C22H21N3O4

>  <MolWeight> (3,425)
391.41984

>  <PCAT_CMPD_ID> (3,425)
WAY-345179

>  <CNC_ID> (3,425)
359320482

>  <transfer_container_id> (3,425)
PTN000000065

>  <COMPOUND_NUMBER> (3,425)
WAY-345179

>  <LOCATION_CODE> (3,425)
PTNCS

>  <AMOUNT_CURRENT> (3,425)
32.5

$$$$
WAY-344240
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 15  6  1  0  0  0  0
 16  8  1  0  0  0  0
 17  4  2  0  0  0  0
 18  5  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
  9  3  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,426)
3429

>  <Formula> (3,426)
C12H9F3N2O3

>  <MolWeight> (3,426)
286.2066696

>  <PCAT_CMPD_ID> (3,426)
WAY-344240

>  <CNC_ID> (3,426)
359319578

>  <transfer_container_id> (3,426)
PTN000000065

>  <COMPOUND_NUMBER> (3,426)
WAY-344240

>  <LOCATION_CODE> (3,426)
PTNCS

>  <AMOUNT_CURRENT> (3,426)
32.5

$$$$
WAY-344935
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
   12.9542   -9.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3542  -10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1417  -10.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -9.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7792  -10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5417  -11.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9625  -11.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -10.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4917  -10.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4917   -8.4917    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  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12 17  2  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 11  8  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,427)
3430

>  <Formula> (3,427)
C11H10ClN3O2

>  <MolWeight> (3,427)
251.669

>  <PCAT_CMPD_ID> (3,427)
WAY-344935

>  <CNC_ID> (3,427)
359320246

>  <transfer_container_id> (3,427)
PTN000000065

>  <COMPOUND_NUMBER> (3,427)
WAY-344935

>  <LOCATION_CODE> (3,427)
PTNCS

>  <AMOUNT_CURRENT> (3,427)
32.6

$$$$
WAY-311364
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5000   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  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  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 10  1  0  0  0  0
 15 18  2  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,428)
3431

>  <Formula> (3,428)
C17H14N2O5

>  <MolWeight> (3,428)
326.30346

>  <PCAT_CMPD_ID> (3,428)
WAY-311364

>  <CNC_ID> (3,428)
359315105

>  <transfer_container_id> (3,428)
PTN000000065

>  <COMPOUND_NUMBER> (3,428)
WAY-311364

>  <LOCATION_CODE> (3,428)
PTNCS

>  <AMOUNT_CURRENT> (3,428)
33.4

$$$$
WAY-313329
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0345   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    0.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9414   -0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 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
 15 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
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,429)
3432

>  <Formula> (3,429)
C17H17FN2O

>  <MolWeight> (3,429)
284.3280832

>  <PCAT_CMPD_ID> (3,429)
WAY-313329

>  <CNC_ID> (3,429)
359328365

>  <transfer_container_id> (3,429)
PTN000000067

>  <COMPOUND_NUMBER> (3,429)
WAY-313329

>  <LOCATION_CODE> (3,429)
PTNCS

>  <AMOUNT_CURRENT> (3,429)
33.4

$$$$
WAY-312457
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
   13.3710    2.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6800    0.9640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0135    1.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6560    2.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3710    2.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2985    1.7135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3950    0.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7040    2.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 14  3  1  0  0  0  0
 15  8  2  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 12  1  0  0  0  0
 21 20  2  0  0  0  0
 22 18  2  0  0  0  0
 23 17  2  0  0  0  0
 24 16  1  0  0  0  0
 25 19  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  2  0  0  0  0
  6 12  1  0  0  0  0
 15 21  1  0  0  0  0
 22 27  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,430)
3433

>  <Formula> (3,430)
C23H18N2O2

>  <MolWeight> (3,430)
354.40122

>  <PCAT_CMPD_ID> (3,430)
WAY-312457

>  <CNC_ID> (3,430)
359316197

>  <transfer_container_id> (3,430)
PTN000000065

>  <COMPOUND_NUMBER> (3,430)
WAY-312457

>  <LOCATION_CODE> (3,430)
PTNCS

>  <AMOUNT_CURRENT> (3,430)
33.4

$$$$
WAY-344457-A
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
   12.2292   -8.8917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7250   -8.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7625   -9.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2250   -8.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2792  -10.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
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  6  1  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17 15  2  0  0  0  0
 18  8  1  0  0  0  0
 19 17  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 16  1  0  0  0  0
 24 21  1  0  0  0  0
 25 23  1  0  0  0  0
 11 19  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (3,431)
3434

>  <Formula> (3,431)
C17H26N4O3S

>  <MolWeight> (3,431)
366.47834

>  <PCAT_CMPD_ID> (3,431)
WAY-344457-A

>  <CNC_ID> (3,431)
359319791

>  <transfer_container_id> (3,431)
PTN000000065

>  <COMPOUND_NUMBER> (3,431)
WAY-344457-A

>  <LOCATION_CODE> (3,431)
PTNCS

>  <AMOUNT_CURRENT> (3,431)
32.4

$$$$
WAY-345459
csChFnd80/10101909502D

 26 27  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
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 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  2  0  0  0  0
 16 20  1  0  0  0  0
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 18  9  1  0  0  0  0
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 20  8  1  0  0  0  0
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 22  7  1  0  0  0  0
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M  END
>  <Mol_ID> (3,432)
3435

>  <Formula> (3,432)
C17H15Cl3N2O4

>  <MolWeight> (3,432)
417.671

>  <PCAT_CMPD_ID> (3,432)
WAY-345459

>  <CNC_ID> (3,432)
359320728

>  <transfer_container_id> (3,432)
PTN000000065

>  <COMPOUND_NUMBER> (3,432)
WAY-345459

>  <LOCATION_CODE> (3,432)
PTNCS

>  <AMOUNT_CURRENT> (3,432)
32.1

$$$$
WAY-344533
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13  9  1  0  0  0  0
 14  1  2  0  0  0  0
 15  8  1  0  0  0  0
 16  5  2  0  0  0  0
 17 12  1  0  0  0  0
 18  6  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  1  0  0  0  0
 22 11  1  0  0  0  0
 15 13  2  0  0  0  0
 18 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,433)
3436

>  <Formula> (3,433)
C14H12Cl2N2O3S

>  <MolWeight> (3,433)
359.22768

>  <PCAT_CMPD_ID> (3,433)
WAY-344533

>  <CNC_ID> (3,433)
359319856

>  <transfer_container_id> (3,433)
PTN000000065

>  <COMPOUND_NUMBER> (3,433)
WAY-344533

>  <LOCATION_CODE> (3,433)
PTNCS

>  <AMOUNT_CURRENT> (3,433)
32.4

$$$$
WAY-344285
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  7 15  1  0  0  0  0
  8  2  2  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  3  2  0  0  0  0
 12  3  1  0  0  0  0
 13  5  1  0  0  0  0
 14  5  2  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 17 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  2  0  0  0  0
 21  9  1  0  0  0  0
 22 13  2  0  0  0  0
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 26 18  1  0  0  0  0
 18 21  2  0  0  0  0
 16 19  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,434)
3437

>  <Formula> (3,434)
C21H14F2O3

>  <MolWeight> (3,434)
352.3308664

>  <PCAT_CMPD_ID> (3,434)
WAY-344285

>  <CNC_ID> (3,434)
359319622

>  <transfer_container_id> (3,434)
PTN000000065

>  <COMPOUND_NUMBER> (3,434)
WAY-344285

>  <LOCATION_CODE> (3,434)
PTNCS

>  <AMOUNT_CURRENT> (3,434)
32.1

$$$$
WAY-346595
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  8  7  1  0  0  0  0
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 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  6  2  0  0  0  0
 13  5  2  0  0  0  0
 14  2  1  0  0  0  0
 15 11  1  0  0  0  0
 16 17  1  0  0  0  0
 17  8  2  0  0  0  0
 18  6  1  0  0  0  0
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 20 12  1  0  0  0  0
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 11  4  2  0  0  0  0
 12 19  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,435)
3438

>  <Formula> (3,435)
C20H18O4

>  <MolWeight> (3,435)
322.35452

>  <PCAT_CMPD_ID> (3,435)
WAY-346595

>  <CNC_ID> (3,435)
359320903

>  <transfer_container_id> (3,435)
PTN000000065

>  <COMPOUND_NUMBER> (3,435)
WAY-346595

>  <LOCATION_CODE> (3,435)
PTNCS

>  <AMOUNT_CURRENT> (3,435)
32.1

$$$$
WAY-311060
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
  7  9  2  0  0  0  0
  8 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,436)
3439

>  <Formula> (3,436)
C17H14O5

>  <MolWeight> (3,436)
298.29006

>  <PCAT_CMPD_ID> (3,436)
WAY-311060

>  <CNC_ID> (3,436)
359314802

>  <transfer_container_id> (3,436)
PTN000000065

>  <COMPOUND_NUMBER> (3,436)
WAY-311060

>  <LOCATION_CODE> (3,436)
PTNCS

>  <AMOUNT_CURRENT> (3,436)
33.4

$$$$
WAY-344466
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,437)
3440

>  <Formula> (3,437)
C25H21NO4

>  <MolWeight> (3,437)
399.43854

>  <PCAT_CMPD_ID> (3,437)
WAY-344466

>  <CNC_ID> (3,437)
359319800

>  <transfer_container_id> (3,437)
PTN000000065

>  <COMPOUND_NUMBER> (3,437)
WAY-344466

>  <LOCATION_CODE> (3,437)
PTNCS

>  <AMOUNT_CURRENT> (3,437)
32.7

$$$$
WAY-312232
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,438)
3441

>  <Formula> (3,438)
C15H12N2O

>  <MolWeight> (3,438)
236.26858

>  <PCAT_CMPD_ID> (3,438)
WAY-312232

>  <CNC_ID> (3,438)
359315972

>  <transfer_container_id> (3,438)
PTN000000065

>  <COMPOUND_NUMBER> (3,438)
WAY-312232

>  <LOCATION_CODE> (3,438)
PTNCS

>  <AMOUNT_CURRENT> (3,438)
33.9

$$$$
WAY-311475
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,439)
3442

>  <Formula> (3,439)
C13H13NO

>  <MolWeight> (3,439)
199.24842

>  <PCAT_CMPD_ID> (3,439)
WAY-311475

>  <CNC_ID> (3,439)
359315216

>  <transfer_container_id> (3,439)
PTN000000065

>  <COMPOUND_NUMBER> (3,439)
WAY-311475

>  <LOCATION_CODE> (3,439)
PTNCS

>  <AMOUNT_CURRENT> (3,439)
33.8

$$$$
WAY-343734
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 17  7  1  0  0  0  0
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 22 23  1  0  0  0  0
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M  END
>  <Mol_ID> (3,440)
3443

>  <Formula> (3,440)
C18H17ClN2O2

>  <MolWeight> (3,440)
328.79278

>  <PCAT_CMPD_ID> (3,440)
WAY-343734

>  <CNC_ID> (3,440)
359319075

>  <transfer_container_id> (3,440)
PTN000000065

>  <COMPOUND_NUMBER> (3,440)
WAY-343734

>  <LOCATION_CODE> (3,440)
PTNCS

>  <AMOUNT_CURRENT> (3,440)
32.8

$$$$
WAY-312507
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,441)
3444

>  <Formula> (3,441)
C20H23N3OS

>  <MolWeight> (3,441)
353.48112

>  <PCAT_CMPD_ID> (3,441)
WAY-312507

>  <CNC_ID> (3,441)
359316247

>  <transfer_container_id> (3,441)
PTN000000065

>  <COMPOUND_NUMBER> (3,441)
WAY-312507

>  <LOCATION_CODE> (3,441)
PTNCS

>  <AMOUNT_CURRENT> (3,441)
33.2

$$$$
WAY-344769
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,442)
3445

>  <Formula> (3,442)
C18H18Cl2N2O3S

>  <MolWeight> (3,442)
413.31812

>  <PCAT_CMPD_ID> (3,442)
WAY-344769

>  <CNC_ID> (3,442)
359320080

>  <transfer_container_id> (3,442)
PTN000000065

>  <COMPOUND_NUMBER> (3,442)
WAY-344769

>  <LOCATION_CODE> (3,442)
PTNCS

>  <AMOUNT_CURRENT> (3,442)
32

$$$$
WAY-310500
csChFnd80/10101909502D

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 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,443)
3446

>  <Formula> (3,443)
C21H26N2O

>  <MolWeight> (3,443)
322.44394

>  <PCAT_CMPD_ID> (3,443)
WAY-310500

>  <CNC_ID> (3,443)
359314241

>  <transfer_container_id> (3,443)
PTN000000065

>  <COMPOUND_NUMBER> (3,443)
WAY-310500

>  <LOCATION_CODE> (3,443)
PTNCS

>  <AMOUNT_CURRENT> (3,443)
33.3

$$$$
WAY-310980
csChFnd80/10101909502D

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  5  9  2  0  0  0  0
 13 14  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,444)
3447

>  <Formula> (3,444)
C15H16N2O3S2

>  <MolWeight> (3,444)
336.42914

>  <PCAT_CMPD_ID> (3,444)
WAY-310980

>  <CNC_ID> (3,444)
359314722

>  <transfer_container_id> (3,444)
PTN000000065

>  <COMPOUND_NUMBER> (3,444)
WAY-310980

>  <LOCATION_CODE> (3,444)
PTNCS

>  <AMOUNT_CURRENT> (3,444)
33.6

$$$$
WAY-310874
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 18 22  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,445)
3448

>  <Formula> (3,445)
C19H18FNO4S

>  <MolWeight> (3,445)
375.4139232

>  <PCAT_CMPD_ID> (3,445)
WAY-310874

>  <CNC_ID> (3,445)
359314616

>  <transfer_container_id> (3,445)
PTN000000065

>  <COMPOUND_NUMBER> (3,445)
WAY-310874

>  <LOCATION_CODE> (3,445)
PTNCS

>  <AMOUNT_CURRENT> (3,445)
33.4

$$$$
WAY-312128
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,446)
3449

>  <Formula> (3,446)
C15H15N5O4

>  <MolWeight> (3,446)
329.3107

>  <PCAT_CMPD_ID> (3,446)
WAY-312128

>  <CNC_ID> (3,446)
359315868

>  <transfer_container_id> (3,446)
PTN000000065

>  <COMPOUND_NUMBER> (3,446)
WAY-312128

>  <LOCATION_CODE> (3,446)
PTNCS

>  <AMOUNT_CURRENT> (3,446)
33.1

$$$$
WAY-311099
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,447)
3450

>  <Formula> (3,447)
C19H30N2O2S

>  <MolWeight> (3,447)
350.5187

>  <PCAT_CMPD_ID> (3,447)
WAY-311099

>  <CNC_ID> (3,447)
359314840

>  <transfer_container_id> (3,447)
PTN000000065

>  <COMPOUND_NUMBER> (3,447)
WAY-311099

>  <LOCATION_CODE> (3,447)
PTNCS

>  <AMOUNT_CURRENT> (3,447)
33.9

$$$$
WAY-340147
csChFnd80/10101909502D

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 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
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 15  7  1  0  0  0  0
 16  3  2  0  0  0  0
 17  8  1  0  0  0  0
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  4  2  2  0  0  0  0
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 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,448)
3451

>  <Formula> (3,448)
C17H19N3OS

>  <MolWeight> (3,448)
313.41726

>  <PCAT_CMPD_ID> (3,448)
WAY-340147

>  <CNC_ID> (3,448)
359318888

>  <transfer_container_id> (3,448)
PTN000000065

>  <COMPOUND_NUMBER> (3,448)
WAY-340147

>  <LOCATION_CODE> (3,448)
PTNCS

>  <AMOUNT_CURRENT> (3,448)
32.3

$$$$
WAY-345489
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  2  2  0  0  0  0
 13 12  1  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 14  1  0  0  0  0
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 25 24  1  0  0  0  0
 10  8  1  0  0  0  0
  9  3  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,449)
3452

>  <Formula> (3,449)
C18H19N5O2

>  <MolWeight> (3,449)
337.37576

>  <PCAT_CMPD_ID> (3,449)
WAY-345489

>  <CNC_ID> (3,449)
359320758

>  <transfer_container_id> (3,449)
PTN000000065

>  <COMPOUND_NUMBER> (3,449)
WAY-345489

>  <LOCATION_CODE> (3,449)
PTNCS

>  <AMOUNT_CURRENT> (3,449)
32.6

$$$$
WAY-342682
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
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 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
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 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
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 17 22  2  0  0  0  0
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M  END
>  <Mol_ID> (3,450)
3453

>  <Formula> (3,450)
C19H19N3O3

>  <MolWeight> (3,450)
337.37246

>  <PCAT_CMPD_ID> (3,450)
WAY-342682

>  <CNC_ID> (3,450)
359318937

>  <transfer_container_id> (3,450)
PTN000000065

>  <COMPOUND_NUMBER> (3,450)
WAY-342682

>  <LOCATION_CODE> (3,450)
PTNCS

>  <AMOUNT_CURRENT> (3,450)
29.53

$$$$
WAY-311084
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
 11  6  1  0  0  0  0
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 14 21  1  0  0  0  0
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M  END
>  <Mol_ID> (3,451)
3454

>  <Formula> (3,451)
C22H20N2O2

>  <MolWeight> (3,451)
344.4064

>  <PCAT_CMPD_ID> (3,451)
WAY-311084

>  <CNC_ID> (3,451)
359314826

>  <transfer_container_id> (3,451)
PTN000000065

>  <COMPOUND_NUMBER> (3,451)
WAY-311084

>  <LOCATION_CODE> (3,451)
PTNCS

>  <AMOUNT_CURRENT> (3,451)
33

$$$$
WAY-311617
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,452)
3455

>  <Formula> (3,452)
C16H21N3OS

>  <MolWeight> (3,452)
303.42244

>  <PCAT_CMPD_ID> (3,452)
WAY-311617

>  <CNC_ID> (3,452)
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>  <transfer_container_id> (3,452)
PTN000000065

>  <COMPOUND_NUMBER> (3,452)
WAY-311617

>  <LOCATION_CODE> (3,452)
PTNCS

>  <AMOUNT_CURRENT> (3,452)
33

$$$$
WAY-345490
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,453)
3456

>  <Formula> (3,453)
C21H14ClN3O

>  <MolWeight> (3,453)
359.80836

>  <PCAT_CMPD_ID> (3,453)
WAY-345490

>  <CNC_ID> (3,453)
359320759

>  <transfer_container_id> (3,453)
PTN000000065

>  <COMPOUND_NUMBER> (3,453)
WAY-345490

>  <LOCATION_CODE> (3,453)
PTNCS

>  <AMOUNT_CURRENT> (3,453)
32.9

$$$$
WAY-310478
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,454)
3457

>  <Formula> (3,454)
C13H15N3O2

>  <MolWeight> (3,454)
245.2771

>  <PCAT_CMPD_ID> (3,454)
WAY-310478

>  <CNC_ID> (3,454)
359314219

>  <transfer_container_id> (3,454)
PTN000000065

>  <COMPOUND_NUMBER> (3,454)
WAY-310478

>  <LOCATION_CODE> (3,454)
PTNCS

>  <AMOUNT_CURRENT> (3,454)
33

$$$$
WAY-345091
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (3,455)
3458

>  <Formula> (3,455)
C23H18F3N3O

>  <MolWeight> (3,455)
409.4037296

>  <PCAT_CMPD_ID> (3,455)
WAY-345091

>  <CNC_ID> (3,455)
359320399

>  <transfer_container_id> (3,455)
PTN000000065

>  <COMPOUND_NUMBER> (3,455)
WAY-345091

>  <LOCATION_CODE> (3,455)
PTNCS

>  <AMOUNT_CURRENT> (3,455)
32.8

$$$$
WAY-310782
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (3,456)
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331.36788

>  <PCAT_CMPD_ID> (3,456)
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>  <CNC_ID> (3,456)
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>  <transfer_container_id> (3,456)
PTN000000065

>  <COMPOUND_NUMBER> (3,456)
WAY-310782

>  <LOCATION_CODE> (3,456)
PTNCS

>  <AMOUNT_CURRENT> (3,456)
33.4

$$$$
WAY-312125
csChFnd80/10101909502D

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 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,457)
3460

>  <Formula> (3,457)
C10H10N4

>  <MolWeight> (3,457)
186.2132

>  <PCAT_CMPD_ID> (3,457)
WAY-312125

>  <CNC_ID> (3,457)
359315865

>  <transfer_container_id> (3,457)
PTN000000065

>  <COMPOUND_NUMBER> (3,457)
WAY-312125

>  <LOCATION_CODE> (3,457)
PTNCS

>  <AMOUNT_CURRENT> (3,457)
33.9

$$$$
WAY-344155
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
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 22  4  2  0  0  0  0
 23  5  2  0  0  0  0
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 25 14  2  0  0  0  0
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 29 24  2  0  0  0  0
 30 28  2  0  0  0  0
  3  5  1  0  0  0  0
 23 27  1  0  0  0  0
 16 20  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,458)
3461

>  <Formula> (3,458)
C23H19FN4O2

>  <MolWeight> (3,458)
402.4209632

>  <PCAT_CMPD_ID> (3,458)
WAY-344155

>  <CNC_ID> (3,458)
359319491

>  <transfer_container_id> (3,458)
PTN000000065

>  <COMPOUND_NUMBER> (3,458)
WAY-344155

>  <LOCATION_CODE> (3,458)
PTNCS

>  <AMOUNT_CURRENT> (3,458)
32.2

$$$$
WAY-345396
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 13 10  1  0  0  0  0
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 15  7  1  0  0  0  0
 16  5  2  0  0  0  0
 17  4  1  0  0  0  0
 18 13  1  0  0  0  0
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 20  7  1  0  0  0  0
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 12  9  2  0  0  0  0
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M  END
>  <Mol_ID> (3,459)
3462

>  <Formula> (3,459)
C18H15Cl2N3O2

>  <MolWeight> (3,459)
376.2366

>  <PCAT_CMPD_ID> (3,459)
WAY-345396

>  <CNC_ID> (3,459)
359320666

>  <transfer_container_id> (3,459)
PTN000000065

>  <COMPOUND_NUMBER> (3,459)
WAY-345396

>  <LOCATION_CODE> (3,459)
PTNCS

>  <AMOUNT_CURRENT> (3,459)
32.5

$$$$
WAY-115636
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,460)
3463

>  <Formula> (3,460)
C20H18N2O3S

>  <MolWeight> (3,460)
366.43352

>  <PCAT_CMPD_ID> (3,460)
WAY-115636

>  <CNC_ID> (3,460)
359313705

>  <transfer_container_id> (3,460)
PTN000000065

>  <COMPOUND_NUMBER> (3,460)
WAY-115636

>  <LOCATION_CODE> (3,460)
PTNCS

>  <AMOUNT_CURRENT> (3,460)
33.8

$$$$
WAY-312221
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (3,461)
3464

>  <Formula> (3,461)
C10H13N5

>  <MolWeight> (3,461)
203.24372

>  <PCAT_CMPD_ID> (3,461)
WAY-312221

>  <CNC_ID> (3,461)
359315961

>  <transfer_container_id> (3,461)
PTN000000065

>  <COMPOUND_NUMBER> (3,461)
WAY-312221

>  <LOCATION_CODE> (3,461)
PTNCS

>  <AMOUNT_CURRENT> (3,461)
33.2

$$$$
WAY-344731
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,462)
3465

>  <Formula> (3,462)
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>  <MolWeight> (3,462)
459.2573232

>  <PCAT_CMPD_ID> (3,462)
WAY-344731

>  <CNC_ID> (3,462)
359320043

>  <transfer_container_id> (3,462)
PTN000000065

>  <COMPOUND_NUMBER> (3,462)
WAY-344731

>  <LOCATION_CODE> (3,462)
PTNCS

>  <AMOUNT_CURRENT> (3,462)
32.1

$$$$
WAY-345335
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,463)
3466

>  <Formula> (3,463)
C13H8N2O2S2

>  <MolWeight> (3,463)
288.34482

>  <PCAT_CMPD_ID> (3,463)
WAY-345335

>  <CNC_ID> (3,463)
359320607

>  <transfer_container_id> (3,463)
PTN000000065

>  <COMPOUND_NUMBER> (3,463)
WAY-345335

>  <LOCATION_CODE> (3,463)
PTNCS

>  <AMOUNT_CURRENT> (3,463)
32.5

$$$$
WAY-311752
csChFnd80/10101909502D

 18 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,464)
3467

>  <Formula> (3,464)
C13H8N4S

>  <MolWeight> (3,464)
252.29442

>  <PCAT_CMPD_ID> (3,464)
WAY-311752

>  <CNC_ID> (3,464)
359315493

>  <transfer_container_id> (3,464)
PTN000000065

>  <COMPOUND_NUMBER> (3,464)
WAY-311752

>  <LOCATION_CODE> (3,464)
PTNCS

>  <AMOUNT_CURRENT> (3,464)
33.1

$$$$
WAY-344335
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,465)
3468

>  <Formula> (3,465)
C15H14ClN3S

>  <MolWeight> (3,465)
303.80976

>  <PCAT_CMPD_ID> (3,465)
WAY-344335

>  <CNC_ID> (3,465)
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>  <transfer_container_id> (3,465)
PTN000000065

>  <COMPOUND_NUMBER> (3,465)
WAY-344335

>  <LOCATION_CODE> (3,465)
PTNCS

>  <AMOUNT_CURRENT> (3,465)
32.2

$$$$
WAY-311246
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,466)
3469

>  <Formula> (3,466)
C16H17N3OS

>  <MolWeight> (3,466)
299.39068

>  <PCAT_CMPD_ID> (3,466)
WAY-311246

>  <CNC_ID> (3,466)
359314987

>  <transfer_container_id> (3,466)
PTN000000065

>  <COMPOUND_NUMBER> (3,466)
WAY-311246

>  <LOCATION_CODE> (3,466)
PTNCS

>  <AMOUNT_CURRENT> (3,466)
33

$$$$
WAY-312155
csChFnd80/10101909502D

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 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (3,467)
3470

>  <Formula> (3,467)
C13H15N5O

>  <MolWeight> (3,467)
257.2911

>  <PCAT_CMPD_ID> (3,467)
WAY-312155

>  <CNC_ID> (3,467)
359315895

>  <transfer_container_id> (3,467)
PTN000000065

>  <COMPOUND_NUMBER> (3,467)
WAY-312155

>  <LOCATION_CODE> (3,467)
PTNCS

>  <AMOUNT_CURRENT> (3,467)
33

$$$$
WAY-344563
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
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 14 10  1  0  0  0  0
 15  8  1  0  0  0  0
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 20  5  1  0  0  0  0
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 25 14  1  0  0  0  0
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  3  5  1  0  0  0  0
 19 21  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,468)
3471

>  <Formula> (3,468)
C22H21FN2O3

>  <MolWeight> (3,468)
380.4121432

>  <PCAT_CMPD_ID> (3,468)
WAY-344563

>  <CNC_ID> (3,468)
359319886

>  <transfer_container_id> (3,468)
PTN000000065

>  <COMPOUND_NUMBER> (3,468)
WAY-344563

>  <LOCATION_CODE> (3,468)
PTNCS

>  <AMOUNT_CURRENT> (3,468)
32.2

$$$$
WAY-345519
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12  3  1  0  0  0  0
 13 21  1  0  0  0  0
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 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 16  2  0  0  0  0
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 21  9  1  0  0  0  0
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 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,469)
3472

>  <Formula> (3,469)
C18H13ClFN3O3S

>  <MolWeight> (3,469)
405.8305232

>  <PCAT_CMPD_ID> (3,469)
WAY-345519

>  <CNC_ID> (3,469)
359320781

>  <transfer_container_id> (3,469)
PTN000000065

>  <COMPOUND_NUMBER> (3,469)
WAY-345519

>  <LOCATION_CODE> (3,469)
PTNCS

>  <AMOUNT_CURRENT> (3,469)
32.9

$$$$
CL-412956
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,470)
3473

>  <Formula> (3,470)
C13H9Cl2N3O4

>  <MolWeight> (3,470)
342.13426

>  <PCAT_CMPD_ID> (3,470)
CL-412956

>  <CNC_ID> (3,470)
359339908

>  <transfer_container_id> (3,470)
PTN000000068

>  <COMPOUND_NUMBER> (3,470)
CL-412956

>  <LOCATION_CODE> (3,470)
PTNCS

>  <AMOUNT_CURRENT> (3,470)
33.3

$$$$
WAY-116736
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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 13  3  1  0  0  0  0
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 15  5  2  0  0  0  0
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 17  9  1  0  0  0  0
 18  8  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,471)
3474

>  <Formula> (3,471)
C15H14N2O4S2

>  <MolWeight> (3,471)
350.41266

>  <PCAT_CMPD_ID> (3,471)
WAY-116736

>  <CNC_ID> (3,471)
359340062

>  <transfer_container_id> (3,471)
PTN000000068

>  <COMPOUND_NUMBER> (3,471)
WAY-116736

>  <LOCATION_CODE> (3,471)
PTNCS

>  <AMOUNT_CURRENT> (3,471)
33.3

$$$$
WAY-118852-A
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  5  4  1  0  0  0  0
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 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,472)
3475

>  <Formula> (3,472)
C19H21N3O

>  <MolWeight> (3,472)
307.38954

>  <PCAT_CMPD_ID> (3,472)
WAY-118852-A

>  <CNC_ID> (3,472)
359340104

>  <transfer_container_id> (3,472)
PTN000000068

>  <COMPOUND_NUMBER> (3,472)
WAY-118852-A

>  <LOCATION_CODE> (3,472)
PTNCS

>  <AMOUNT_CURRENT> (3,472)
33.1

$$$$
WAY-217883
csChFnd80/10101909502D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,473)
3476

>  <Formula> (3,473)
C21H19NO4

>  <MolWeight> (3,473)
349.37986

>  <PCAT_CMPD_ID> (3,473)
WAY-217883

>  <CNC_ID> (3,473)
359340139

>  <transfer_container_id> (3,473)
PTN000000068

>  <COMPOUND_NUMBER> (3,473)
WAY-217883

>  <LOCATION_CODE> (3,473)
PTNCS

>  <AMOUNT_CURRENT> (3,473)
33.4

$$$$
WAY-223329
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  3  2  0  0  0  0
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 15  4  1  0  0  0  0
 16  8  2  0  0  0  0
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (3,474)
3477

>  <Formula> (3,474)
C18H16N2O2

>  <MolWeight> (3,474)
292.33184

>  <PCAT_CMPD_ID> (3,474)
WAY-223329

>  <CNC_ID> (3,474)
359340158

>  <transfer_container_id> (3,474)
PTN000000068

>  <COMPOUND_NUMBER> (3,474)
WAY-223329

>  <LOCATION_CODE> (3,474)
PTNCS

>  <AMOUNT_CURRENT> (3,474)
33

$$$$
WAY-223889
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,475)
3478

>  <Formula> (3,475)
C13H8O2S

>  <MolWeight> (3,475)
228.26642

>  <PCAT_CMPD_ID> (3,475)
WAY-223889

>  <CNC_ID> (3,475)
359340165

>  <transfer_container_id> (3,475)
PTN000000068

>  <COMPOUND_NUMBER> (3,475)
WAY-223889

>  <LOCATION_CODE> (3,475)
PTNCS

>  <AMOUNT_CURRENT> (3,475)
33.5

$$$$
WAY-226075-B
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,476)
3479

>  <Formula> (3,476)
C17H27NO2

>  <MolWeight> (3,476)
277.40178

>  <PCAT_CMPD_ID> (3,476)
WAY-226075-B

>  <CNC_ID> (3,476)
359340183

>  <transfer_container_id> (3,476)
PTN000000068

>  <COMPOUND_NUMBER> (3,476)
WAY-226075-B

>  <LOCATION_CODE> (3,476)
PTNCS

>  <AMOUNT_CURRENT> (3,476)
33.5

$$$$
WAY-228413
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,477)
3480

>  <Formula> (3,477)
C14H13ClN2O2S

>  <MolWeight> (3,477)
308.78322

>  <PCAT_CMPD_ID> (3,477)
WAY-228413

>  <CNC_ID> (3,477)
359340203

>  <transfer_container_id> (3,477)
PTN000000068

>  <COMPOUND_NUMBER> (3,477)
WAY-228413

>  <LOCATION_CODE> (3,477)
PTNCS

>  <AMOUNT_CURRENT> (3,477)
33.4

$$$$
WAY-234918
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,478)
3481

>  <Formula> (3,478)
C24H24N2O

>  <MolWeight> (3,478)
356.46016

>  <PCAT_CMPD_ID> (3,478)
WAY-234918

>  <CNC_ID> (3,478)
359340279

>  <transfer_container_id> (3,478)
PTN000000068

>  <COMPOUND_NUMBER> (3,478)
WAY-234918

>  <LOCATION_CODE> (3,478)
PTNCS

>  <AMOUNT_CURRENT> (3,478)
33.2

$$$$
WAY-234979
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,479)
3482

>  <Formula> (3,479)
C18H21N3O2

>  <MolWeight> (3,479)
311.37824

>  <PCAT_CMPD_ID> (3,479)
WAY-234979

>  <CNC_ID> (3,479)
359340281

>  <transfer_container_id> (3,479)
PTN000000068

>  <COMPOUND_NUMBER> (3,479)
WAY-234979

>  <LOCATION_CODE> (3,479)
PTNCS

>  <AMOUNT_CURRENT> (3,479)
33.1

$$$$
WAY-236574
csChFnd80/10101909502D

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 19  3  1  0  0  0  0
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 21  9  2  0  0  0  0
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 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,480)
3483

>  <Formula> (3,480)
C21H19N3OS

>  <MolWeight> (3,480)
361.46006

>  <PCAT_CMPD_ID> (3,480)
WAY-236574

>  <CNC_ID> (3,480)
359340298

>  <transfer_container_id> (3,480)
PTN000000068

>  <COMPOUND_NUMBER> (3,480)
WAY-236574

>  <LOCATION_CODE> (3,480)
PTNCS

>  <AMOUNT_CURRENT> (3,480)
33.1

$$$$
WAY-238034
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,481)
3484

>  <Formula> (3,481)
C21H24N2O5

>  <MolWeight> (3,481)
384.42566

>  <PCAT_CMPD_ID> (3,481)
WAY-238034

>  <CNC_ID> (3,481)
359340317

>  <transfer_container_id> (3,481)
PTN000000068

>  <COMPOUND_NUMBER> (3,481)
WAY-238034

>  <LOCATION_CODE> (3,481)
PTNCS

>  <AMOUNT_CURRENT> (3,481)
33

$$$$
WAY-296463
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,482)
3485

>  <Formula> (3,482)
C13H16N2OS2

>  <MolWeight> (3,482)
280.40894

>  <PCAT_CMPD_ID> (3,482)
WAY-296463

>  <CNC_ID> (3,482)
359342907

>  <transfer_container_id> (3,482)
PTN000000068

>  <COMPOUND_NUMBER> (3,482)
WAY-296463

>  <LOCATION_CODE> (3,482)
PTNCS

>  <AMOUNT_CURRENT> (3,482)
33.1

$$$$
WAY-296638
csChFnd80/10101909502D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (3,483)
3486

>  <Formula> (3,483)
C26H30N6O

>  <MolWeight> (3,483)
442.556

>  <PCAT_CMPD_ID> (3,483)
WAY-296638

>  <CNC_ID> (3,483)
359343082

>  <transfer_container_id> (3,483)
PTN000000068

>  <COMPOUND_NUMBER> (3,483)
WAY-296638

>  <LOCATION_CODE> (3,483)
PTNCS

>  <AMOUNT_CURRENT> (3,483)
33.5

$$$$
WAY-296650
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,484)
3487

>  <Formula> (3,484)
C19H17N3O3S

>  <MolWeight> (3,484)
367.42158

>  <PCAT_CMPD_ID> (3,484)
WAY-296650

>  <CNC_ID> (3,484)
359343094

>  <transfer_container_id> (3,484)
PTN000000068

>  <COMPOUND_NUMBER> (3,484)
WAY-296650

>  <LOCATION_CODE> (3,484)
PTNCS

>  <AMOUNT_CURRENT> (3,484)
33.3

$$$$
WAY-296729
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,485)
3488

>  <Formula> (3,485)
C16H13ClN2O2

>  <MolWeight> (3,485)
300.73962

>  <PCAT_CMPD_ID> (3,485)
WAY-296729

>  <CNC_ID> (3,485)
359343173

>  <transfer_container_id> (3,485)
PTN000000068

>  <COMPOUND_NUMBER> (3,485)
WAY-296729

>  <LOCATION_CODE> (3,485)
PTNCS

>  <AMOUNT_CURRENT> (3,485)
33.3

$$$$
WAY-296800
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,486)
3489

>  <Formula> (3,486)
C23H20ClN3O2S2

>  <MolWeight> (3,486)
470.0068

>  <PCAT_CMPD_ID> (3,486)
WAY-296800

>  <CNC_ID> (3,486)
359343244

>  <transfer_container_id> (3,486)
PTN000000068

>  <COMPOUND_NUMBER> (3,486)
WAY-296800

>  <LOCATION_CODE> (3,486)
PTNCS

>  <AMOUNT_CURRENT> (3,486)
33.5

$$$$
WAY-296831
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,487)
3490

>  <Formula> (3,487)
C19H27N3OS

>  <MolWeight> (3,487)
345.50218

>  <PCAT_CMPD_ID> (3,487)
WAY-296831

>  <CNC_ID> (3,487)
359343275

>  <transfer_container_id> (3,487)
PTN000000068

>  <COMPOUND_NUMBER> (3,487)
WAY-296831

>  <LOCATION_CODE> (3,487)
PTNCS

>  <AMOUNT_CURRENT> (3,487)
33.3

$$$$
WAY-296868
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 11  6  2  0  0  0  0
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 13  6  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
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 17 14  2  0  0  0  0
 18 16  1  0  0  0  0
  3  2  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,488)
3491

>  <Formula> (3,488)
C11H11BrN4O2

>  <MolWeight> (3,488)
311.13464

>  <PCAT_CMPD_ID> (3,488)
WAY-296868

>  <CNC_ID> (3,488)
359343312

>  <transfer_container_id> (3,488)
PTN000000068

>  <COMPOUND_NUMBER> (3,488)
WAY-296868

>  <LOCATION_CODE> (3,488)
PTNCS

>  <AMOUNT_CURRENT> (3,488)
33.2

$$$$
WAY-296895
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 15 17  2  0  0  0  0
 21 22  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,489)
3492

>  <Formula> (3,489)
C19H15ClN2O4S

>  <MolWeight> (3,489)
402.8514

>  <PCAT_CMPD_ID> (3,489)
WAY-296895

>  <CNC_ID> (3,489)
359343339

>  <transfer_container_id> (3,489)
PTN000000068

>  <COMPOUND_NUMBER> (3,489)
WAY-296895

>  <LOCATION_CODE> (3,489)
PTNCS

>  <AMOUNT_CURRENT> (3,489)
33.2

$$$$
WAY-297365
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
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  7  8  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,490)
3493

>  <Formula> (3,490)
C11H13NO2S

>  <MolWeight> (3,490)
223.29142

>  <PCAT_CMPD_ID> (3,490)
WAY-297365

>  <CNC_ID> (3,490)
359343809

>  <transfer_container_id> (3,490)
PTN000000068

>  <COMPOUND_NUMBER> (3,490)
WAY-297365

>  <LOCATION_CODE> (3,490)
PTNCS

>  <AMOUNT_CURRENT> (3,490)
33.2

$$$$
WAY-297483
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 13  2  1  0  0  0  0
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 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,491)
3494

>  <Formula> (3,491)
C21H19N3O3

>  <MolWeight> (3,491)
361.39386

>  <PCAT_CMPD_ID> (3,491)
WAY-297483

>  <CNC_ID> (3,491)
359343927

>  <transfer_container_id> (3,491)
PTN000000068

>  <COMPOUND_NUMBER> (3,491)
WAY-297483

>  <LOCATION_CODE> (3,491)
PTNCS

>  <AMOUNT_CURRENT> (3,491)
33.1

$$$$
WAY-297801
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,492)
3495

>  <Formula> (3,492)
C19H21FN2O2

>  <MolWeight> (3,492)
328.3806432

>  <PCAT_CMPD_ID> (3,492)
WAY-297801

>  <CNC_ID> (3,492)
359344245

>  <transfer_container_id> (3,492)
PTN000000068

>  <COMPOUND_NUMBER> (3,492)
WAY-297801

>  <LOCATION_CODE> (3,492)
PTNCS

>  <AMOUNT_CURRENT> (3,492)
33.4

$$$$
WAY-297802
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,493)
3496

>  <Formula> (3,493)
C18H19NO4

>  <MolWeight> (3,493)
313.34776

>  <PCAT_CMPD_ID> (3,493)
WAY-297802

>  <CNC_ID> (3,493)
359344246

>  <transfer_container_id> (3,493)
PTN000000068

>  <COMPOUND_NUMBER> (3,493)
WAY-297802

>  <LOCATION_CODE> (3,493)
PTNCS

>  <AMOUNT_CURRENT> (3,493)
33.4

$$$$
WAY-297814
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (3,494)
3497

>  <Formula> (3,494)
C15H10N2O3S

>  <MolWeight> (3,494)
298.3165

>  <PCAT_CMPD_ID> (3,494)
WAY-297814

>  <CNC_ID> (3,494)
359344258

>  <transfer_container_id> (3,494)
PTN000000068

>  <COMPOUND_NUMBER> (3,494)
WAY-297814

>  <LOCATION_CODE> (3,494)
PTNCS

>  <AMOUNT_CURRENT> (3,494)
33.3

$$$$
WAY-297524
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,495)
3498

>  <Formula> (3,495)
C19H20O4

>  <MolWeight> (3,495)
312.3597

>  <PCAT_CMPD_ID> (3,495)
WAY-297524

>  <CNC_ID> (3,495)
359343968

>  <transfer_container_id> (3,495)
PTN000000068

>  <COMPOUND_NUMBER> (3,495)
WAY-297524

>  <LOCATION_CODE> (3,495)
PTNCS

>  <AMOUNT_CURRENT> (3,495)
33.5

$$$$
WAY-297697
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (3,496)
3499

>  <Formula> (3,496)
C15H11NO2S2

>  <MolWeight> (3,496)
301.38334

>  <PCAT_CMPD_ID> (3,496)
WAY-297697

>  <CNC_ID> (3,496)
359344141

>  <transfer_container_id> (3,496)
PTN000000068

>  <COMPOUND_NUMBER> (3,496)
WAY-297697

>  <LOCATION_CODE> (3,496)
PTNCS

>  <AMOUNT_CURRENT> (3,496)
33.5

$$$$
WAY-297747
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,497)
3500

>  <Formula> (3,497)
C19H15ClO4S

>  <MolWeight> (3,497)
374.838

>  <PCAT_CMPD_ID> (3,497)
WAY-297747

>  <CNC_ID> (3,497)
359344191

>  <transfer_container_id> (3,497)
PTN000000068

>  <COMPOUND_NUMBER> (3,497)
WAY-297747

>  <LOCATION_CODE> (3,497)
PTNCS

>  <AMOUNT_CURRENT> (3,497)
33.4

$$$$
WAY-297773
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 12 16  1  0  0  0  0
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M  END
>  <Mol_ID> (3,498)
3501

>  <Formula> (3,498)
C18H23BrN2O3

>  <MolWeight> (3,498)
395.29082

>  <PCAT_CMPD_ID> (3,498)
WAY-297773

>  <CNC_ID> (3,498)
359344217

>  <transfer_container_id> (3,498)
PTN000000068

>  <COMPOUND_NUMBER> (3,498)
WAY-297773

>  <LOCATION_CODE> (3,498)
PTNCS

>  <AMOUNT_CURRENT> (3,498)
33.1

$$$$
WAY-297816
csChFnd80/10101909502D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,499)
3502

>  <Formula> (3,499)
C6H6N4O

>  <MolWeight> (3,499)
150.13804

>  <PCAT_CMPD_ID> (3,499)
WAY-297816

>  <CNC_ID> (3,499)
359344260

>  <transfer_container_id> (3,499)
PTN000000068

>  <COMPOUND_NUMBER> (3,499)
WAY-297816

>  <LOCATION_CODE> (3,499)
PTNCS

>  <AMOUNT_CURRENT> (3,499)
33.2

$$$$
WL-342371
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,500)
3503

>  <Formula> (3,500)
C19H15NO2

>  <MolWeight> (3,500)
289.3279

>  <PCAT_CMPD_ID> (3,500)
WL-342371

>  <CNC_ID> (3,500)
359353691

>  <transfer_container_id> (3,500)
PTN000000068

>  <COMPOUND_NUMBER> (3,500)
WL-342371

>  <LOCATION_CODE> (3,500)
PTNCS

>  <AMOUNT_CURRENT> (3,500)
33.4

$$$$
CL-28730
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,501)
3504

>  <Formula> (3,501)
C20H16N2O2

>  <MolWeight> (3,501)
316.35324

>  <PCAT_CMPD_ID> (3,501)
CL-28730

>  <CNC_ID> (3,501)
359353716

>  <transfer_container_id> (3,501)
PTN000000069

>  <COMPOUND_NUMBER> (3,501)
CL-28730

>  <LOCATION_CODE> (3,501)
PTNCS

>  <AMOUNT_CURRENT> (3,501)
33.5

$$$$
CL-413494
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,502)
3505

>  <Formula> (3,502)
C24H30N2O3

>  <MolWeight> (3,502)
394.5066

>  <PCAT_CMPD_ID> (3,502)
CL-413494

>  <CNC_ID> (3,502)
359353764

>  <transfer_container_id> (3,502)
PTN000000069

>  <COMPOUND_NUMBER> (3,502)
CL-413494

>  <LOCATION_CODE> (3,502)
PTNCS

>  <AMOUNT_CURRENT> (3,502)
33.1

$$$$
CL-419070
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,503)
3506

>  <Formula> (3,503)
C14H11NO2S2

>  <MolWeight> (3,503)
289.37264

>  <PCAT_CMPD_ID> (3,503)
CL-419070

>  <CNC_ID> (3,503)
359353791

>  <transfer_container_id> (3,503)
PTN000000069

>  <COMPOUND_NUMBER> (3,503)
CL-419070

>  <LOCATION_CODE> (3,503)
PTNCS

>  <AMOUNT_CURRENT> (3,503)
33.3

$$$$
GI-567952
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,504)
3507

>  <Formula> (3,504)
C8H6FN5O

>  <MolWeight> (3,504)
207.1645432

>  <PCAT_CMPD_ID> (3,504)
GI-567952

>  <CNC_ID> (3,504)
359353858

>  <transfer_container_id> (3,504)
PTN000000069

>  <COMPOUND_NUMBER> (3,504)
GI-567952

>  <LOCATION_CODE> (3,504)
PTNCS

>  <AMOUNT_CURRENT> (3,504)
33.1

$$$$
WAY-119147
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,505)
3508

>  <Formula> (3,505)
C16H18N2O3

>  <MolWeight> (3,505)
286.32572

>  <PCAT_CMPD_ID> (3,505)
WAY-119147

>  <CNC_ID> (3,505)
359353976

>  <transfer_container_id> (3,505)
PTN000000069

>  <COMPOUND_NUMBER> (3,505)
WAY-119147

>  <LOCATION_CODE> (3,505)
PTNCS

>  <AMOUNT_CURRENT> (3,505)
33.3

$$$$
WAY-216683
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,506)
3509

>  <Formula> (3,506)
C12H14N2O3S

>  <MolWeight> (3,506)
266.31616

>  <PCAT_CMPD_ID> (3,506)
WAY-216683

>  <CNC_ID> (3,506)
359354016

>  <transfer_container_id> (3,506)
PTN000000069

>  <COMPOUND_NUMBER> (3,506)
WAY-216683

>  <LOCATION_CODE> (3,506)
PTNCS

>  <AMOUNT_CURRENT> (3,506)
33.1

$$$$
WAY-230143
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,507)
3510

>  <Formula> (3,507)
C12H12BrN3O2

>  <MolWeight> (3,507)
310.14658

>  <PCAT_CMPD_ID> (3,507)
WAY-230143

>  <CNC_ID> (3,507)
359354080

>  <transfer_container_id> (3,507)
PTN000000069

>  <COMPOUND_NUMBER> (3,507)
WAY-230143

>  <LOCATION_CODE> (3,507)
PTNCS

>  <AMOUNT_CURRENT> (3,507)
33.2

$$$$
WAY-231154
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,508)
3511

>  <Formula> (3,508)
C17H9N3O5S

>  <MolWeight> (3,508)
367.33546

>  <PCAT_CMPD_ID> (3,508)
WAY-231154

>  <CNC_ID> (3,508)
359354085

>  <transfer_container_id> (3,508)
PTN000000069

>  <COMPOUND_NUMBER> (3,508)
WAY-231154

>  <LOCATION_CODE> (3,508)
PTNCS

>  <AMOUNT_CURRENT> (3,508)
33.4

$$$$
WAY-234533
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,509)
3512

>  <Formula> (3,509)
C18H12ClNO3

>  <MolWeight> (3,509)
325.74578

>  <PCAT_CMPD_ID> (3,509)
WAY-234533

>  <CNC_ID> (3,509)
359354132

>  <transfer_container_id> (3,509)
PTN000000069

>  <COMPOUND_NUMBER> (3,509)
WAY-234533

>  <LOCATION_CODE> (3,509)
PTNCS

>  <AMOUNT_CURRENT> (3,509)
33.2

$$$$
WAY-298119
csChFnd80/10101909502D

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 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  0  0  0  0
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 16  1  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
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  3  4  1  0  0  0  0
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M  END
>  <Mol_ID> (3,510)
3513

>  <Formula> (3,510)
C13H15N3O3S

>  <MolWeight> (3,510)
293.3415

>  <PCAT_CMPD_ID> (3,510)
WAY-298119

>  <CNC_ID> (3,510)
359357113

>  <transfer_container_id> (3,510)
PTN000000069

>  <COMPOUND_NUMBER> (3,510)
WAY-298119

>  <LOCATION_CODE> (3,510)
PTNCS

>  <AMOUNT_CURRENT> (3,510)
33.4

$$$$
WAY-298134-A
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,511)
3514

>  <Formula> (3,511)
C20H21Cl2N3O2

>  <MolWeight> (3,511)
406.30564

>  <PCAT_CMPD_ID> (3,511)
WAY-298134-A

>  <CNC_ID> (3,511)
359357128

>  <transfer_container_id> (3,511)
PTN000000069

>  <COMPOUND_NUMBER> (3,511)
WAY-298134-A

>  <LOCATION_CODE> (3,511)
PTNCS

>  <AMOUNT_CURRENT> (3,511)
33.3

$$$$
WAY-298143
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 13 17  1  0  0  0  0
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M  END
>  <Mol_ID> (3,512)
3515

>  <Formula> (3,512)
C16H15NO2S2

>  <MolWeight> (3,512)
317.4258

>  <PCAT_CMPD_ID> (3,512)
WAY-298143

>  <CNC_ID> (3,512)
359357137

>  <transfer_container_id> (3,512)
PTN000000069

>  <COMPOUND_NUMBER> (3,512)
WAY-298143

>  <LOCATION_CODE> (3,512)
PTNCS

>  <AMOUNT_CURRENT> (3,512)
33.4

$$$$
WAY-298264
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,513)
3516

>  <Formula> (3,513)
C15H14BrNOS

>  <MolWeight> (3,513)
336.24676

>  <PCAT_CMPD_ID> (3,513)
WAY-298264

>  <CNC_ID> (3,513)
359357258

>  <transfer_container_id> (3,513)
PTN000000069

>  <COMPOUND_NUMBER> (3,513)
WAY-298264

>  <LOCATION_CODE> (3,513)
PTNCS

>  <AMOUNT_CURRENT> (3,513)
33.2

$$$$
WAY-298300
csChFnd80/10101909502D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,514)
3517

>  <Formula> (3,514)
C24H25FN6O4

>  <MolWeight> (3,514)
480.4915032

>  <PCAT_CMPD_ID> (3,514)
WAY-298300

>  <CNC_ID> (3,514)
359357294

>  <transfer_container_id> (3,514)
PTN000000069

>  <COMPOUND_NUMBER> (3,514)
WAY-298300

>  <LOCATION_CODE> (3,514)
PTNCS

>  <AMOUNT_CURRENT> (3,514)
33.3

$$$$
WAY-298873
csChFnd80/10101909502D

 13 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,515)
3518

>  <Formula> (3,515)
C7H4N4S2

>  <MolWeight> (3,515)
208.26346

>  <PCAT_CMPD_ID> (3,515)
WAY-298873

>  <CNC_ID> (3,515)
359357867

>  <transfer_container_id> (3,515)
PTN000000069

>  <COMPOUND_NUMBER> (3,515)
WAY-298873

>  <LOCATION_CODE> (3,515)
PTNCS

>  <AMOUNT_CURRENT> (3,515)
29.8

$$$$
WAY-298907
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,516)
3519

>  <Formula> (3,516)
C19H19NO6

>  <MolWeight> (3,516)
357.35726

>  <PCAT_CMPD_ID> (3,516)
WAY-298907

>  <CNC_ID> (3,516)
359357901

>  <transfer_container_id> (3,516)
PTN000000069

>  <COMPOUND_NUMBER> (3,516)
WAY-298907

>  <LOCATION_CODE> (3,516)
PTNCS

>  <AMOUNT_CURRENT> (3,516)
33.2

$$$$
WAY-299131
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,517)
3520

>  <Formula> (3,517)
C15H23NO4S2

>  <MolWeight> (3,517)
345.47742

>  <PCAT_CMPD_ID> (3,517)
WAY-299131

>  <CNC_ID> (3,517)
359358125

>  <transfer_container_id> (3,517)
PTN000000069

>  <COMPOUND_NUMBER> (3,517)
WAY-299131

>  <LOCATION_CODE> (3,517)
PTNCS

>  <AMOUNT_CURRENT> (3,517)
33.2

$$$$
WAY-299330
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,518)
3521

>  <Formula> (3,518)
C15H15ClF3N3O

>  <MolWeight> (3,518)
345.7473096

>  <PCAT_CMPD_ID> (3,518)
WAY-299330

>  <CNC_ID> (3,518)
359358324

>  <transfer_container_id> (3,518)
PTN000000069

>  <COMPOUND_NUMBER> (3,518)
WAY-299330

>  <LOCATION_CODE> (3,518)
PTNCS

>  <AMOUNT_CURRENT> (3,518)
33.2

$$$$
WAY-299389
csChFnd80/10101909502D

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 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
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 11 12  2  0  0  0  0
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M  END
>  <Mol_ID> (3,519)
3522

>  <Formula> (3,519)
C18H24N2O

>  <MolWeight> (3,519)
284.39596

>  <PCAT_CMPD_ID> (3,519)
WAY-299389

>  <CNC_ID> (3,519)
359358383

>  <transfer_container_id> (3,519)
PTN000000069

>  <COMPOUND_NUMBER> (3,519)
WAY-299389

>  <LOCATION_CODE> (3,519)
PTNCS

>  <AMOUNT_CURRENT> (3,519)
33

$$$$
WAY-382570
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
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 15  3  2  0  0  0  0
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 21  4  1  0  0  0  0
 22  8  1  0  0  0  0
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 11  6  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,520)
3523

>  <Formula> (3,520)
C20H20O6

>  <MolWeight> (3,520)
356.3692

>  <PCAT_CMPD_ID> (3,520)
WAY-382570

>  <CNC_ID> (3,520)
359360733

>  <transfer_container_id> (3,520)
PTN000000069

>  <COMPOUND_NUMBER> (3,520)
WAY-382570

>  <LOCATION_CODE> (3,520)
PTNCS

>  <AMOUNT_CURRENT> (3,520)
32.2

$$$$
WAY-382604
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11  9  2  0  0  0  0
 12 14  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  1  0  0  0  0
 16  5  1  0  0  0  0
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 18 13  1  0  0  0  0
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 20 19  1  0  0  0  0
 10  7  2  0  0  0  0
M  END
>  <Mol_ID> (3,521)
3524

>  <Formula> (3,521)
C15H16N2O3

>  <MolWeight> (3,521)
272.29914

>  <PCAT_CMPD_ID> (3,521)
WAY-382604

>  <CNC_ID> (3,521)
359360765

>  <transfer_container_id> (3,521)
PTN000000069

>  <COMPOUND_NUMBER> (3,521)
WAY-382604

>  <LOCATION_CODE> (3,521)
PTNCS

>  <AMOUNT_CURRENT> (3,521)
32.2

$$$$
WAY-382684
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 22 24  1  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,522)
3525

>  <Formula> (3,522)
C16H12Cl2N2O3S2

>  <MolWeight> (3,522)
415.31408

>  <PCAT_CMPD_ID> (3,522)
WAY-382684

>  <CNC_ID> (3,522)
359360843

>  <transfer_container_id> (3,522)
PTN000000069

>  <COMPOUND_NUMBER> (3,522)
WAY-382684

>  <LOCATION_CODE> (3,522)
PTNCS

>  <AMOUNT_CURRENT> (3,522)
32.9

$$$$
WAY-392175
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  6  2  0  0  0  0
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 13 12  2  0  0  0  0
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  9 13  1  0  0  0  0
 19 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,523)
3526

>  <Formula> (3,523)
C18H16ClNO2

>  <MolWeight> (3,523)
313.77814

>  <PCAT_CMPD_ID> (3,523)
WAY-392175

>  <CNC_ID> (3,523)
359361133

>  <transfer_container_id> (3,523)
PTN000000069

>  <COMPOUND_NUMBER> (3,523)
WAY-392175

>  <LOCATION_CODE> (3,523)
PTNCS

>  <AMOUNT_CURRENT> (3,523)
32.4

$$$$
CL-260142
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,524)
3527

>  <Formula> (3,524)
C10H9N3OS2

>  <MolWeight> (3,524)
251.32796

>  <PCAT_CMPD_ID> (3,524)
CL-260142

>  <CNC_ID> (3,524)
359367382

>  <transfer_container_id> (3,524)
PTN000000070

>  <COMPOUND_NUMBER> (3,524)
CL-260142

>  <LOCATION_CODE> (3,524)
PTNCS

>  <AMOUNT_CURRENT> (3,524)
33.4

$$$$
CL-405076
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,525)
3528

>  <Formula> (3,525)
C14H12N2O3

>  <MolWeight> (3,525)
256.25668

>  <PCAT_CMPD_ID> (3,525)
CL-405076

>  <CNC_ID> (3,525)
359367432

>  <transfer_container_id> (3,525)
PTN000000070

>  <COMPOUND_NUMBER> (3,525)
CL-405076

>  <LOCATION_CODE> (3,525)
PTNCS

>  <AMOUNT_CURRENT> (3,525)
33.1

$$$$
WAY-112254-A
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,526)
3529

>  <Formula> (3,526)
C22H28NO4+

>  <MolWeight> (3,526)
370.46202

>  <PCAT_CMPD_ID> (3,526)
WAY-112254-A

>  <CNC_ID> (3,526)
359367560

>  <transfer_container_id> (3,526)
PTN000000070

>  <COMPOUND_NUMBER> (3,526)
WAY-112254-A

>  <LOCATION_CODE> (3,526)
PTNCS

>  <AMOUNT_CURRENT> (3,526)
33.3

$$$$
WAY-119123
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,527)
3530

>  <Formula> (3,527)
C14H17Cl2NO3

>  <MolWeight> (3,527)
318.19568

>  <PCAT_CMPD_ID> (3,527)
WAY-119123

>  <CNC_ID> (3,527)
359367656

>  <transfer_container_id> (3,527)
PTN000000070

>  <COMPOUND_NUMBER> (3,527)
WAY-119123

>  <LOCATION_CODE> (3,527)
PTNCS

>  <AMOUNT_CURRENT> (3,527)
33.1

$$$$
WAY-226311
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,528)
3531

>  <Formula> (3,528)
C11H8N4O2S

>  <MolWeight> (3,528)
260.27182

>  <PCAT_CMPD_ID> (3,528)
WAY-226311

>  <CNC_ID> (3,528)
359367742

>  <transfer_container_id> (3,528)
PTN000000070

>  <COMPOUND_NUMBER> (3,528)
WAY-226311

>  <LOCATION_CODE> (3,528)
PTNCS

>  <AMOUNT_CURRENT> (3,528)
33

$$$$
WAY-232238
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (3,529)
3532

>  <Formula> (3,529)
C21H19NO7

>  <MolWeight> (3,529)
397.37806

>  <PCAT_CMPD_ID> (3,529)
WAY-232238

>  <CNC_ID> (3,529)
359367794

>  <transfer_container_id> (3,529)
PTN000000070

>  <COMPOUND_NUMBER> (3,529)
WAY-232238

>  <LOCATION_CODE> (3,529)
PTNCS

>  <AMOUNT_CURRENT> (3,529)
33.4

$$$$
WAY-233842
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
  5  7  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,530)
3533

>  <Formula> (3,530)
C10H11N3S2

>  <MolWeight> (3,530)
237.34444

>  <PCAT_CMPD_ID> (3,530)
WAY-233842

>  <CNC_ID> (3,530)
359367823

>  <transfer_container_id> (3,530)
PTN000000070

>  <COMPOUND_NUMBER> (3,530)
WAY-233842

>  <LOCATION_CODE> (3,530)
PTNCS

>  <AMOUNT_CURRENT> (3,530)
33.4

$$$$
WAY-238614
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12  2  2  0  0  0  0
 13  3  2  0  0  0  0
 14  8  1  0  0  0  0
 15  4  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  2  0  0  0  0
 18 10  2  0  0  0  0
 19 14  1  0  0  0  0
 20 14  2  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 22  2  0  0  0  0
 24 19  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  2  0  0  0  0
  4  5  1  0  0  0  0
  7 10  1  0  0  0  0
 18 23  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,531)
3534

>  <Formula> (3,531)
C21H22N2O3

>  <MolWeight> (3,531)
350.41098

>  <PCAT_CMPD_ID> (3,531)
WAY-238614

>  <CNC_ID> (3,531)
359367896

>  <transfer_container_id> (3,531)
PTN000000070

>  <COMPOUND_NUMBER> (3,531)
WAY-238614

>  <LOCATION_CODE> (3,531)
PTNCS

>  <AMOUNT_CURRENT> (3,531)
33.2

$$$$
WAY-238962
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18  3  1  0  0  0  0
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 20 15  1  0  0  0  0
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 25 23  1  0  0  0  0
  5  2  1  0  0  0  0
  8 10  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (3,532)
3535

>  <Formula> (3,532)
C20H23NO4

>  <MolWeight> (3,532)
341.40092

>  <PCAT_CMPD_ID> (3,532)
WAY-238962

>  <CNC_ID> (3,532)
359367904

>  <transfer_container_id> (3,532)
PTN000000070

>  <COMPOUND_NUMBER> (3,532)
WAY-238962

>  <LOCATION_CODE> (3,532)
PTNCS

>  <AMOUNT_CURRENT> (3,532)
33.2

$$$$
WAY-300243-A
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 12  1  0  0  0  0
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  7  9  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,533)
3536

>  <Formula> (3,533)
C11H17NO

>  <MolWeight> (3,533)
179.25878

>  <PCAT_CMPD_ID> (3,533)
WAY-300243-A

>  <CNC_ID> (3,533)
359370895

>  <transfer_container_id> (3,533)
PTN000000070

>  <COMPOUND_NUMBER> (3,533)
WAY-300243-A

>  <LOCATION_CODE> (3,533)
PTNCS

>  <AMOUNT_CURRENT> (3,533)
33

$$$$
WAY-299779-A
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
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M  END
>  <Mol_ID> (3,534)
3537

>  <Formula> (3,534)
C20H25N3O2

>  <MolWeight> (3,534)
339.4314

>  <PCAT_CMPD_ID> (3,534)
WAY-299779-A

>  <CNC_ID> (3,534)
359370456

>  <transfer_container_id> (3,534)
PTN000000070

>  <COMPOUND_NUMBER> (3,534)
WAY-299779-A

>  <LOCATION_CODE> (3,534)
PTNCS

>  <AMOUNT_CURRENT> (3,534)
33.4

$$$$
WAY-299792
csChFnd80/10101909502D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,535)
3538

>  <Formula> (3,535)
C16H18F3N3O2S

>  <MolWeight> (3,535)
373.3932296

>  <PCAT_CMPD_ID> (3,535)
WAY-299792

>  <CNC_ID> (3,535)
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>  <transfer_container_id> (3,535)
PTN000000070

>  <COMPOUND_NUMBER> (3,535)
WAY-299792

>  <LOCATION_CODE> (3,535)
PTNCS

>  <AMOUNT_CURRENT> (3,535)
33.3

$$$$
WAY-299802
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,536)
3539

>  <Formula> (3,536)
C16H16ClNO2

>  <MolWeight> (3,536)
289.75674

>  <PCAT_CMPD_ID> (3,536)
WAY-299802

>  <CNC_ID> (3,536)
359370479

>  <transfer_container_id> (3,536)
PTN000000070

>  <COMPOUND_NUMBER> (3,536)
WAY-299802

>  <LOCATION_CODE> (3,536)
PTNCS

>  <AMOUNT_CURRENT> (3,536)
33.4

$$$$
WAY-299882
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,537)
3540

>  <Formula> (3,537)
C17H15Cl2N5OS

>  <MolWeight> (3,537)
408.3049

>  <PCAT_CMPD_ID> (3,537)
WAY-299882

>  <CNC_ID> (3,537)
359370560

>  <transfer_container_id> (3,537)
PTN000000070

>  <COMPOUND_NUMBER> (3,537)
WAY-299882

>  <LOCATION_CODE> (3,537)
PTNCS

>  <AMOUNT_CURRENT> (3,537)
33.2

$$$$
WAY-299938
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,538)
3541

>  <Formula> (3,538)
C22H18F3N3O3S

>  <MolWeight> (3,538)
461.4568296

>  <PCAT_CMPD_ID> (3,538)
WAY-299938

>  <CNC_ID> (3,538)
359370616

>  <transfer_container_id> (3,538)
PTN000000070

>  <COMPOUND_NUMBER> (3,538)
WAY-299938

>  <LOCATION_CODE> (3,538)
PTNCS

>  <AMOUNT_CURRENT> (3,538)
33.3

$$$$
WAY-300450
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,539)
3542

>  <Formula> (3,539)
C17H12N4OS

>  <MolWeight> (3,539)
320.36838

>  <PCAT_CMPD_ID> (3,539)
WAY-300450

>  <CNC_ID> (3,539)
359371093

>  <transfer_container_id> (3,539)
PTN000000070

>  <COMPOUND_NUMBER> (3,539)
WAY-300450

>  <LOCATION_CODE> (3,539)
PTNCS

>  <AMOUNT_CURRENT> (3,539)
29.9

$$$$
WAY-300595
csChFnd80/10101909502D

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 10 13  2  0  0  0  0
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M  END
>  <Mol_ID> (3,540)
3543

>  <Formula> (3,540)
C18H17NO2

>  <MolWeight> (3,540)
279.33308

>  <PCAT_CMPD_ID> (3,540)
WAY-300595

>  <CNC_ID> (3,540)
359371238

>  <transfer_container_id> (3,540)
PTN000000070

>  <COMPOUND_NUMBER> (3,540)
WAY-300595

>  <LOCATION_CODE> (3,540)
PTNCS

>  <AMOUNT_CURRENT> (3,540)
33.2

$$$$
WAY-301402
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,541)
3544

>  <Formula> (3,541)
C17H16N2O4

>  <MolWeight> (3,541)
312.31994

>  <PCAT_CMPD_ID> (3,541)
WAY-301402

>  <CNC_ID> (3,541)
359371740

>  <transfer_container_id> (3,541)
PTN000000070

>  <COMPOUND_NUMBER> (3,541)
WAY-301402

>  <LOCATION_CODE> (3,541)
PTNCS

>  <AMOUNT_CURRENT> (3,541)
33.1

$$$$
WAY-301482
csChFnd80/10101909502D

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 10  6  1  0  0  0  0
 11  1  2  0  0  0  0
 12  1  2  0  0  0  0
 13  1  1  0  0  0  0
 14 10  2  0  0  0  0
 15  7  1  0  0  0  0
 16  8  2  0  0  0  0
 17  6  2  0  0  0  0
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 29 28  2  0  0  0  0
 14 19  1  0  0  0  0
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M  END
>  <Mol_ID> (3,542)
3545

>  <Formula> (3,542)
C21H23N5O2S

>  <MolWeight> (3,542)
409.50462

>  <PCAT_CMPD_ID> (3,542)
WAY-301482

>  <CNC_ID> (3,542)
359371820

>  <transfer_container_id> (3,542)
PTN000000070

>  <COMPOUND_NUMBER> (3,542)
WAY-301482

>  <LOCATION_CODE> (3,542)
PTNCS

>  <AMOUNT_CURRENT> (3,542)
32.4

$$$$
WAY-301521
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
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 24 14  1  0  0  0  0
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 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,543)
3546

>  <Formula> (3,543)
C16H19N5O2S

>  <MolWeight> (3,543)
345.41936

>  <PCAT_CMPD_ID> (3,543)
WAY-301521

>  <CNC_ID> (3,543)
359371859

>  <transfer_container_id> (3,543)
PTN000000070

>  <COMPOUND_NUMBER> (3,543)
WAY-301521

>  <LOCATION_CODE> (3,543)
PTNCS

>  <AMOUNT_CURRENT> (3,543)
33.1

$$$$
WAY-301568
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,544)
3547

>  <Formula> (3,544)
C17H21NO

>  <MolWeight> (3,544)
255.35474

>  <PCAT_CMPD_ID> (3,544)
WAY-301568

>  <CNC_ID> (3,544)
359371906

>  <transfer_container_id> (3,544)
PTN000000070

>  <COMPOUND_NUMBER> (3,544)
WAY-301568

>  <LOCATION_CODE> (3,544)
PTNCS

>  <AMOUNT_CURRENT> (3,544)
33.5

$$$$
WAY-386515
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,545)
3548

>  <Formula> (3,545)
C16H16N4O2

>  <MolWeight> (3,545)
296.32384

>  <PCAT_CMPD_ID> (3,545)
WAY-386515

>  <CNC_ID> (3,545)
359372315

>  <transfer_container_id> (3,545)
PTN000000070

>  <COMPOUND_NUMBER> (3,545)
WAY-386515

>  <LOCATION_CODE> (3,545)
PTNCS

>  <AMOUNT_CURRENT> (3,545)
32.9

$$$$
WAY-388161
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,546)
3549

>  <Formula> (3,546)
C15H23NO

>  <MolWeight> (3,546)
233.34922

>  <PCAT_CMPD_ID> (3,546)
WAY-388161

>  <CNC_ID> (3,546)
359372384

>  <transfer_container_id> (3,546)
PTN000000070

>  <COMPOUND_NUMBER> (3,546)
WAY-388161

>  <LOCATION_CODE> (3,546)
PTNCS

>  <AMOUNT_CURRENT> (3,546)
32.2

$$$$
WAY-388288
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,547)
3550

>  <Formula> (3,547)
C14H21NO2

>  <MolWeight> (3,547)
235.32204

>  <PCAT_CMPD_ID> (3,547)
WAY-388288

>  <CNC_ID> (3,547)
359372431

>  <transfer_container_id> (3,547)
PTN000000070

>  <COMPOUND_NUMBER> (3,547)
WAY-388288

>  <LOCATION_CODE> (3,547)
PTNCS

>  <AMOUNT_CURRENT> (3,547)
32.3

$$$$
WAY-388304
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,548)
3551

>  <Formula> (3,548)
C15H19N3O5S

>  <MolWeight> (3,548)
353.39346

>  <PCAT_CMPD_ID> (3,548)
WAY-388304

>  <CNC_ID> (3,548)
359372445

>  <transfer_container_id> (3,548)
PTN000000070

>  <COMPOUND_NUMBER> (3,548)
WAY-388304

>  <LOCATION_CODE> (3,548)
PTNCS

>  <AMOUNT_CURRENT> (3,548)
33

$$$$
WAY-388608
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,549)
3552

>  <Formula> (3,549)
C21H18F2N2O4S

>  <MolWeight> (3,549)
432.4404264

>  <PCAT_CMPD_ID> (3,549)
WAY-388608

>  <CNC_ID> (3,549)
359372746

>  <transfer_container_id> (3,549)
PTN000000070

>  <COMPOUND_NUMBER> (3,549)
WAY-388608

>  <LOCATION_CODE> (3,549)
PTNCS

>  <AMOUNT_CURRENT> (3,549)
32.3

$$$$
WAY-389086
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 14 15  2  0  0  0  0
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 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
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  8  7  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (3,550)
3553

>  <Formula> (3,550)
C16H20N2O3

>  <MolWeight> (3,550)
288.3416

>  <PCAT_CMPD_ID> (3,550)
WAY-389086

>  <CNC_ID> (3,550)
359373219

>  <transfer_container_id> (3,550)
PTN000000070

>  <COMPOUND_NUMBER> (3,550)
WAY-389086

>  <LOCATION_CODE> (3,550)
PTNCS

>  <AMOUNT_CURRENT> (3,550)
32.7

$$$$
WAY-389174
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  8  3  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,551)
3554

>  <Formula> (3,551)
C15H20N2O3S

>  <MolWeight> (3,551)
308.3959

>  <PCAT_CMPD_ID> (3,551)
WAY-389174

>  <CNC_ID> (3,551)
359373302

>  <transfer_container_id> (3,551)
PTN000000070

>  <COMPOUND_NUMBER> (3,551)
WAY-389174

>  <LOCATION_CODE> (3,551)
PTNCS

>  <AMOUNT_CURRENT> (3,551)
32.2

$$$$
WAY-389232
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12  7  1  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
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  9  6  1  0  0  0  0
  5  7  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,552)
3555

>  <Formula> (3,552)
C16H15N5

>  <MolWeight> (3,552)
277.3238

>  <PCAT_CMPD_ID> (3,552)
WAY-389232

>  <CNC_ID> (3,552)
359373357

>  <transfer_container_id> (3,552)
PTN000000070

>  <COMPOUND_NUMBER> (3,552)
WAY-389232

>  <LOCATION_CODE> (3,552)
PTNCS

>  <AMOUNT_CURRENT> (3,552)
32.7

$$$$
WAY-389291
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 18  4  1  0  0  0  0
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 22 21  1  0  0  0  0
  7  9  2  0  0  0  0
 19 22  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,553)
3556

>  <Formula> (3,553)
C18H15NO2S

>  <MolWeight> (3,553)
309.3822

>  <PCAT_CMPD_ID> (3,553)
WAY-389291

>  <CNC_ID> (3,553)
359373416

>  <transfer_container_id> (3,553)
PTN000000070

>  <COMPOUND_NUMBER> (3,553)
WAY-389291

>  <LOCATION_CODE> (3,553)
PTNCS

>  <AMOUNT_CURRENT> (3,553)
32.1

$$$$
WAY-389323
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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 12  1  1  0  0  0  0
 13  1  1  0  0  0  0
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 18  2  2  0  0  0  0
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 23 21  2  0  0  0  0
 24  8  1  0  0  0  0
 25 15  1  0  0  0  0
 16  3  1  0  0  0  0
 22 14  2  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (3,554)
3557

>  <Formula> (3,554)
C20H22N2O3

>  <MolWeight> (3,554)
338.40028

>  <PCAT_CMPD_ID> (3,554)
WAY-389323

>  <CNC_ID> (3,554)
359373448

>  <transfer_container_id> (3,554)
PTN000000070

>  <COMPOUND_NUMBER> (3,554)
WAY-389323

>  <LOCATION_CODE> (3,554)
PTNCS

>  <AMOUNT_CURRENT> (3,554)
32.4

$$$$
WAY-389397
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (3,555)
3558

>  <Formula> (3,555)
C20H19NO5

>  <MolWeight> (3,555)
353.36856

>  <PCAT_CMPD_ID> (3,555)
WAY-389397

>  <CNC_ID> (3,555)
359373521

>  <transfer_container_id> (3,555)
PTN000000070

>  <COMPOUND_NUMBER> (3,555)
WAY-389397

>  <LOCATION_CODE> (3,555)
PTNCS

>  <AMOUNT_CURRENT> (3,555)
32.2

$$$$
WAY-389573
csChFnd80/10101909502D

 14 14  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
  6  4  1  0  0  0  0
M  END
>  <Mol_ID> (3,556)
3559

>  <Formula> (3,556)
C9H14N2O2S

>  <MolWeight> (3,556)
214.28466

>  <PCAT_CMPD_ID> (3,556)
WAY-389573

>  <CNC_ID> (3,556)
359373695

>  <transfer_container_id> (3,556)
PTN000000070

>  <COMPOUND_NUMBER> (3,556)
WAY-389573

>  <LOCATION_CODE> (3,556)
PTNCS

>  <AMOUNT_CURRENT> (3,556)
32.6

$$$$
WAY-389723
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  2  0  0  0  0
 13  9  1  0  0  0  0
 14 16  1  0  0  0  0
 15  7  1  0  0  0  0
 16 13  2  0  0  0  0
 17 14  1  0  0  0  0
 18  4  2  0  0  0  0
 19  6  2  0  0  0  0
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 21 20  2  0  0  0  0
  3  6  1  0  0  0  0
 21 19  1  0  0  0  0
 14  8  2  0  0  0  0
M  END
>  <Mol_ID> (3,557)
3560

>  <Formula> (3,557)
C16H11BrFNO2

>  <MolWeight> (3,557)
348.1664432

>  <PCAT_CMPD_ID> (3,557)
WAY-389723

>  <CNC_ID> (3,557)
359373841

>  <transfer_container_id> (3,557)
PTN000000070

>  <COMPOUND_NUMBER> (3,557)
WAY-389723

>  <LOCATION_CODE> (3,557)
PTNCS

>  <AMOUNT_CURRENT> (3,557)
32.1

$$$$
WAY-389843
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  8  1  0  0  0  0
 12  8  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15  3  2  0  0  0  0
 16  5  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
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 23 14  2  0  0  0  0
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 25 17  1  0  0  0  0
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 29 27  2  0  0  0  0
  6  5  2  0  0  0  0
 14 24  1  0  0  0  0
 23 19  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
>  <Mol_ID> (3,558)
3561

>  <Formula> (3,558)
C23H24N2O3S

>  <MolWeight> (3,558)
408.51326

>  <PCAT_CMPD_ID> (3,558)
WAY-389843

>  <CNC_ID> (3,558)
359373954

>  <transfer_container_id> (3,558)
PTN000000070

>  <COMPOUND_NUMBER> (3,558)
WAY-389843

>  <LOCATION_CODE> (3,558)
PTNCS

>  <AMOUNT_CURRENT> (3,558)
32.6

$$$$
WAY-389844
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  8 16  1  0  0  0  0
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 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15  8  2  0  0  0  0
 16 13  1  0  0  0  0
 17  7  2  0  0  0  0
 18 20  2  0  0  0  0
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 21  5  2  0  0  0  0
 22  4  2  0  0  0  0
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 28 21  1  0  0  0  0
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 28 27  2  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,559)
3562

>  <Formula> (3,559)
C21H19NO6

>  <MolWeight> (3,559)
381.37866

>  <PCAT_CMPD_ID> (3,559)
WAY-389844

>  <CNC_ID> (3,559)
359373955

>  <transfer_container_id> (3,559)
PTN000000070

>  <COMPOUND_NUMBER> (3,559)
WAY-389844

>  <LOCATION_CODE> (3,559)
PTNCS

>  <AMOUNT_CURRENT> (3,559)
32.7

$$$$
WAY-389859
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 15  1  0  0  0  0
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 14 16  2  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,560)
3563

>  <Formula> (3,560)
C20H17NO

>  <MolWeight> (3,560)
287.35508

>  <PCAT_CMPD_ID> (3,560)
WAY-389859

>  <CNC_ID> (3,560)
359373968

>  <transfer_container_id> (3,560)
PTN000000070

>  <COMPOUND_NUMBER> (3,560)
WAY-389859

>  <LOCATION_CODE> (3,560)
PTNCS

>  <AMOUNT_CURRENT> (3,560)
32.1

$$$$
WAY-389867
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
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M  END
>  <Mol_ID> (3,561)
3564

>  <Formula> (3,561)
C14H14F3N3O3

>  <MolWeight> (3,561)
329.2744696

>  <PCAT_CMPD_ID> (3,561)
WAY-389867

>  <CNC_ID> (3,561)
359373976

>  <transfer_container_id> (3,561)
PTN000000070

>  <COMPOUND_NUMBER> (3,561)
WAY-389867

>  <LOCATION_CODE> (3,561)
PTNCS

>  <AMOUNT_CURRENT> (3,561)
32.2

$$$$
CL-325654
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,562)
3565

>  <Formula> (3,562)
C19H18N2O3

>  <MolWeight> (3,562)
322.35782

>  <PCAT_CMPD_ID> (3,562)
CL-325654

>  <CNC_ID> (3,562)
359380528

>  <transfer_container_id> (3,562)
PTN000000071

>  <COMPOUND_NUMBER> (3,562)
CL-325654

>  <LOCATION_CODE> (3,562)
PTNCS

>  <AMOUNT_CURRENT> (3,562)
33.5

$$$$
WAY-117021
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,563)
3566

>  <Formula> (3,563)
C14H23NO2

>  <MolWeight> (3,563)
237.33792

>  <PCAT_CMPD_ID> (3,563)
WAY-117021

>  <CNC_ID> (3,563)
359380676

>  <transfer_container_id> (3,563)
PTN000000071

>  <COMPOUND_NUMBER> (3,563)
WAY-117021

>  <LOCATION_CODE> (3,563)
PTNCS

>  <AMOUNT_CURRENT> (3,563)
33.4

$$$$
WAY-216826
csChFnd80/10101909502D

 13 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,564)
3567

>  <Formula> (3,564)
C10H8N2S

>  <MolWeight> (3,564)
188.24892

>  <PCAT_CMPD_ID> (3,564)
WAY-216826

>  <CNC_ID> (3,564)
359380733

>  <transfer_container_id> (3,564)
PTN000000071

>  <COMPOUND_NUMBER> (3,564)
WAY-216826

>  <LOCATION_CODE> (3,564)
PTNCS

>  <AMOUNT_CURRENT> (3,564)
33.4

$$$$
WAY-216963
csChFnd80/10101909502D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,565)
3568

>  <Formula> (3,565)
C7H9N3O3S

>  <MolWeight> (3,565)
215.22966

>  <PCAT_CMPD_ID> (3,565)
WAY-216963

>  <CNC_ID> (3,565)
359380734

>  <transfer_container_id> (3,565)
PTN000000071

>  <COMPOUND_NUMBER> (3,565)
WAY-216963

>  <LOCATION_CODE> (3,565)
PTNCS

>  <AMOUNT_CURRENT> (3,565)
33.2

$$$$
WAY-301993
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,566)
3569

>  <Formula> (3,566)
C13H8FN3OS

>  <MolWeight> (3,566)
273.2855232

>  <PCAT_CMPD_ID> (3,566)
WAY-301993

>  <CNC_ID> (3,566)
359382979

>  <transfer_container_id> (3,566)
PTN000000071

>  <COMPOUND_NUMBER> (3,566)
WAY-301993

>  <LOCATION_CODE> (3,566)
PTNCS

>  <AMOUNT_CURRENT> (3,566)
33.2

$$$$
WAY-302002
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0  0  0  0
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M  END
>  <Mol_ID> (3,567)
3570

>  <Formula> (3,567)
C19H14INO4

>  <MolWeight> (3,567)
447.22323

>  <PCAT_CMPD_ID> (3,567)
WAY-302002

>  <CNC_ID> (3,567)
359382988

>  <transfer_container_id> (3,567)
PTN000000071

>  <COMPOUND_NUMBER> (3,567)
WAY-302002

>  <LOCATION_CODE> (3,567)
PTNCS

>  <AMOUNT_CURRENT> (3,567)
33.2

$$$$
WAY-302022
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,568)
3571

>  <Formula> (3,568)
C17H16BrNO3

>  <MolWeight> (3,568)
362.21784

>  <PCAT_CMPD_ID> (3,568)
WAY-302022

>  <CNC_ID> (3,568)
359383008

>  <transfer_container_id> (3,568)
PTN000000071

>  <COMPOUND_NUMBER> (3,568)
WAY-302022

>  <LOCATION_CODE> (3,568)
PTNCS

>  <AMOUNT_CURRENT> (3,568)
33.3

$$$$
WAY-302148
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 13 16  2  0  0  0  0
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M  END
>  <Mol_ID> (3,569)
3572

>  <Formula> (3,569)
C14H12N4

>  <MolWeight> (3,569)
236.27188

>  <PCAT_CMPD_ID> (3,569)
WAY-302148

>  <CNC_ID> (3,569)
359383134

>  <transfer_container_id> (3,569)
PTN000000071

>  <COMPOUND_NUMBER> (3,569)
WAY-302148

>  <LOCATION_CODE> (3,569)
PTNCS

>  <AMOUNT_CURRENT> (3,569)
33.3

$$$$
WAY-302558
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 15 18  1  0  0  0  0
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M  END
>  <Mol_ID> (3,570)
3573

>  <Formula> (3,570)
C20H21NO4

>  <MolWeight> (3,570)
339.38504

>  <PCAT_CMPD_ID> (3,570)
WAY-302558

>  <CNC_ID> (3,570)
359383545

>  <transfer_container_id> (3,570)
PTN000000071

>  <COMPOUND_NUMBER> (3,570)
WAY-302558

>  <LOCATION_CODE> (3,570)
PTNCS

>  <AMOUNT_CURRENT> (3,570)
33.2

$$$$
WAY-386269
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 13  4  2  0  0  0  0
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 18  6  1  0  0  0  0
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 23  8  1  0  0  0  0
 18 19  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,571)
3574

>  <Formula> (3,571)
C17H23N3O2S

>  <MolWeight> (3,571)
333.44842

>  <PCAT_CMPD_ID> (3,571)
WAY-386269

>  <CNC_ID> (3,571)
359413207

>  <transfer_container_id> (3,571)
PTN000000073

>  <COMPOUND_NUMBER> (3,571)
WAY-386269

>  <LOCATION_CODE> (3,571)
PTNCS

>  <AMOUNT_CURRENT> (3,571)
32.2

$$$$
WAY-386910
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 11  4  2  0  0  0  0
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 23  8  2  0  0  0  0
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M  END
>  <Mol_ID> (3,572)
3575

>  <Formula> (3,572)
C24H20ClFN2O3

>  <MolWeight> (3,572)
438.8786032

>  <PCAT_CMPD_ID> (3,572)
WAY-386910

>  <CNC_ID> (3,572)
359413644

>  <transfer_container_id> (3,572)
PTN000000073

>  <COMPOUND_NUMBER> (3,572)
WAY-386910

>  <LOCATION_CODE> (3,572)
PTNCS

>  <AMOUNT_CURRENT> (3,572)
32.4

$$$$
WAY-388035
csChFnd80/10101909502D

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 11  3  2  0  0  0  0
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 13  9  2  0  0  0  0
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 15  7  1  0  0  0  0
 16  7  2  0  0  0  0
 17  5  1  0  0  0  0
 18 20  2  0  0  0  0
 19 15  2  0  0  0  0
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 18 19  1  0  0  0  0
 14 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,573)
3576

>  <Formula> (3,573)
C15H11ClN2OS2

>  <MolWeight> (3,573)
334.84364

>  <PCAT_CMPD_ID> (3,573)
WAY-388035

>  <CNC_ID> (3,573)
359414088

>  <transfer_container_id> (3,573)
PTN000000073

>  <COMPOUND_NUMBER> (3,573)
WAY-388035

>  <LOCATION_CODE> (3,573)
PTNCS

>  <AMOUNT_CURRENT> (3,573)
32

$$$$
WAY-308357
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  5  7  1  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,574)
3577

>  <Formula> (3,574)
C16H17N3

>  <MolWeight> (3,574)
251.32628

>  <PCAT_CMPD_ID> (3,574)
WAY-308357

>  <CNC_ID> (3,574)
359421211

>  <transfer_container_id> (3,574)
PTN000000074

>  <COMPOUND_NUMBER> (3,574)
WAY-308357

>  <LOCATION_CODE> (3,574)
PTNCS

>  <AMOUNT_CURRENT> (3,574)
33.8

$$$$
WAY-340033
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 11  4  1  0  0  0  0
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 17  9  1  0  0  0  0
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  8  7  1  0  0  0  0
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 28 27  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,575)
3578

>  <Formula> (3,575)
C21H18N4O3S2

>  <MolWeight> (3,575)
438.52262

>  <PCAT_CMPD_ID> (3,575)
WAY-340033

>  <CNC_ID> (3,575)
359425250

>  <transfer_container_id> (3,575)
PTN000000074

>  <COMPOUND_NUMBER> (3,575)
WAY-340033

>  <LOCATION_CODE> (3,575)
PTNCS

>  <AMOUNT_CURRENT> (3,575)
29.1

$$$$
WAY-346198
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  8  2  0  0  0  0
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 16  3  2  0  0  0  0
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 18  5  1  0  0  0  0
 19  5  1  0  0  0  0
 20  5  1  0  0  0  0
 21  6  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24 15  1  0  0  0  0
  2  3  1  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,576)
3579

>  <Formula> (3,576)
C17H15ClF3NO2

>  <MolWeight> (3,576)
357.7547096

>  <PCAT_CMPD_ID> (3,576)
WAY-346198

>  <CNC_ID> (3,576)
359434089

>  <transfer_container_id> (3,576)
PTN000000075

>  <COMPOUND_NUMBER> (3,576)
WAY-346198

>  <LOCATION_CODE> (3,576)
PTNCS

>  <AMOUNT_CURRENT> (3,576)
32.6

$$$$
WAY-349485
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 18  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,577)
3580

>  <Formula> (3,577)
C16H17N3O5

>  <MolWeight> (3,577)
331.32328

>  <PCAT_CMPD_ID> (3,577)
WAY-349485

>  <CNC_ID> (3,577)
359437267

>  <transfer_container_id> (3,577)
PTN000000075

>  <COMPOUND_NUMBER> (3,577)
WAY-349485

>  <LOCATION_CODE> (3,577)
PTNCS

>  <AMOUNT_CURRENT> (3,577)
32.5

$$$$
WAY-349490
csChFnd80/10101909502D

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 10  7  1  0  0  0  0
 11  7  2  0  0  0  0
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 15  6  1  0  0  0  0
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 22  8  1  0  0  0  0
 23  5  2  0  0  0  0
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 16 20  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (3,578)
3581

>  <Formula> (3,578)
C21H20FNO4S

>  <MolWeight> (3,578)
401.4512032

>  <PCAT_CMPD_ID> (3,578)
WAY-349490

>  <CNC_ID> (3,578)
359437272

>  <transfer_container_id> (3,578)
PTN000000075

>  <COMPOUND_NUMBER> (3,578)
WAY-349490

>  <LOCATION_CODE> (3,578)
PTNCS

>  <AMOUNT_CURRENT> (3,578)
32.2

$$$$
WAY-353983
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
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 25 24  2  0  0  0  0
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 14 18  2  0  0  0  0
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M  END
>  <Mol_ID> (3,579)
3582

>  <Formula> (3,579)
C18H16N4O3

>  <MolWeight> (3,579)
336.34464

>  <PCAT_CMPD_ID> (3,579)
WAY-353983

>  <CNC_ID> (3,579)
359441611

>  <transfer_container_id> (3,579)
PTN000000075

>  <COMPOUND_NUMBER> (3,579)
WAY-353983

>  <LOCATION_CODE> (3,579)
PTNCS

>  <AMOUNT_CURRENT> (3,579)
32.4

$$$$
WAY-348025
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 15 17  2  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,580)
3583

>  <Formula> (3,580)
C14H19N3O

>  <MolWeight> (3,580)
245.32016

>  <PCAT_CMPD_ID> (3,580)
WAY-348025

>  <CNC_ID> (3,580)
359442543

>  <transfer_container_id> (3,580)
PTN000000076

>  <COMPOUND_NUMBER> (3,580)
WAY-348025

>  <LOCATION_CODE> (3,580)
PTNCS

>  <AMOUNT_CURRENT> (3,580)
32.5

$$$$
WAY-355298-A
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,581)
3584

>  <Formula> (3,581)
C20H26N2O

>  <MolWeight> (3,581)
310.43324

>  <PCAT_CMPD_ID> (3,581)
WAY-355298-A

>  <CNC_ID> (3,581)
359443061

>  <transfer_container_id> (3,581)
PTN000000076

>  <COMPOUND_NUMBER> (3,581)
WAY-355298-A

>  <LOCATION_CODE> (3,581)
PTNCS

>  <AMOUNT_CURRENT> (3,581)
33

$$$$
WAY-359065
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 16 12  1  0  0  0  0
 14  7  1  0  0  0  0
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M  END
>  <Mol_ID> (3,582)
3585

>  <Formula> (3,582)
C17H13F3N4O

>  <MolWeight> (3,582)
346.3065296

>  <PCAT_CMPD_ID> (3,582)
WAY-359065

>  <CNC_ID> (3,582)
359446767

>  <transfer_container_id> (3,582)
PTN000000076

>  <COMPOUND_NUMBER> (3,582)
WAY-359065

>  <LOCATION_CODE> (3,582)
PTNCS

>  <AMOUNT_CURRENT> (3,582)
32.3

$$$$
WAY-311332
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,583)
3586

>  <Formula> (3,583)
C17H20N2O5

>  <MolWeight> (3,583)
332.3511

>  <PCAT_CMPD_ID> (3,583)
WAY-311332

>  <CNC_ID> (3,583)
359315073

>  <transfer_container_id> (3,583)
PTN000000065

>  <COMPOUND_NUMBER> (3,583)
WAY-311332

>  <LOCATION_CODE> (3,583)
PTNCS

>  <AMOUNT_CURRENT> (3,583)
33.8

$$$$
WAY-112361
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  4  2  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  2  0  0  0  0
  7  1  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
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 13 12  2  0  0  0  0
 14  4  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
  2  6  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (3,584)
3587

>  <Formula> (3,584)
C11H11N3O3S

>  <MolWeight> (3,584)
265.28834

>  <PCAT_CMPD_ID> (3,584)
WAY-112361

>  <CNC_ID> (3,584)
359313677

>  <transfer_container_id> (3,584)
PTN000000065

>  <COMPOUND_NUMBER> (3,584)
WAY-112361

>  <LOCATION_CODE> (3,584)
PTNCS

>  <AMOUNT_CURRENT> (3,584)
33

$$$$
WAY-330590
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,585)
3588

>  <Formula> (3,585)
C19H15ClN2O2

>  <MolWeight> (3,585)
338.7876

>  <PCAT_CMPD_ID> (3,585)
WAY-330590

>  <CNC_ID> (3,585)
359317945

>  <transfer_container_id> (3,585)
PTN000000065

>  <COMPOUND_NUMBER> (3,585)
WAY-330590

>  <LOCATION_CODE> (3,585)
PTNCS

>  <AMOUNT_CURRENT> (3,585)
32.5

$$$$
WAY-663243
csChFnd80/10101909502D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 20  8  1  0  0  0  0
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 16 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,586)
3589

>  <Formula> (3,586)
C17H23NOS

>  <MolWeight> (3,586)
289.43562

>  <PCAT_CMPD_ID> (3,586)
WAY-663243

>  <CNC_ID> (3,586)
359326146

>  <transfer_container_id> (3,586)
PTN000000065

>  <COMPOUND_NUMBER> (3,586)
WAY-663243

>  <LOCATION_CODE> (3,586)
PTNCS

>  <AMOUNT_CURRENT> (3,586)
32.5

$$$$
WAY-330954
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  4  2  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
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 15 24  1  0  0  0  0
 16 14  1  0  0  0  0
 17  8  2  0  0  0  0
 18 20  2  0  0  0  0
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 23  9  2  0  0  0  0
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  3  6  1  0  0  0  0
  9  8  1  0  0  0  0
 26 25  2  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,587)
3590

>  <Formula> (3,587)
C20H15ClN2O2S

>  <MolWeight> (3,587)
382.8633

>  <PCAT_CMPD_ID> (3,587)
WAY-330954

>  <CNC_ID> (3,587)
359318309

>  <transfer_container_id> (3,587)
PTN000000065

>  <COMPOUND_NUMBER> (3,587)
WAY-330954

>  <LOCATION_CODE> (3,587)
PTNCS

>  <AMOUNT_CURRENT> (3,587)
32.5

$$$$
WAY-643866
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  1  0  0  0  0
 15  7  1  0  0  0  0
  5  4  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,588)
3591

>  <Formula> (3,588)
C11H18N2OS

>  <MolWeight> (3,588)
226.33842

>  <PCAT_CMPD_ID> (3,588)
WAY-643866

>  <CNC_ID> (3,588)
359325605

>  <transfer_container_id> (3,588)
PTN000000065

>  <COMPOUND_NUMBER> (3,588)
WAY-643866

>  <LOCATION_CODE> (3,588)
PTNCS

>  <AMOUNT_CURRENT> (3,588)
32.5

$$$$
WAY-663240
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
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 13  3  1  0  0  0  0
 14  3  1  0  0  0  0
 15  8  2  0  0  0  0
 16  4  2  0  0  0  0
 17  8  1  0  0  0  0
 18  5  1  0  0  0  0
 19  5  2  0  0  0  0
 20 18  2  0  0  0  0
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 22 15  1  0  0  0  0
 23 17  2  0  0  0  0
 24 25  1  0  0  0  0
 25 10  1  0  0  0  0
 26 23  1  0  0  0  0
 27 15  1  0  0  0  0
 28 23  1  0  0  0  0
 20  7  1  0  0  0  0
 12  2  1  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,589)
3592

>  <Formula> (3,589)
C21H25N3O4

>  <MolWeight> (3,589)
383.4409

>  <PCAT_CMPD_ID> (3,589)
WAY-663240

>  <CNC_ID> (3,589)
359326143

>  <transfer_container_id> (3,589)
PTN000000065

>  <COMPOUND_NUMBER> (3,589)
WAY-663240

>  <LOCATION_CODE> (3,589)
PTNCS

>  <AMOUNT_CURRENT> (3,589)
32.8

$$$$
WAY-330672
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  8  1  0  0  0  0
 12 15  2  0  0  0  0
 13  8  2  0  0  0  0
 14  7  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  2  0  0  0  0
 17 11  1  0  0  0  0
 18 14  1  0  0  0  0
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 20 24  2  0  0  0  0
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 25  4  1  0  0  0  0
 26  5  1  0  0  0  0
 27 20  1  0  0  0  0
  3  6  1  0  0  0  0
 16 12  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,590)
3593

>  <Formula> (3,590)
C19H19N3O4S

>  <MolWeight> (3,590)
385.43686

>  <PCAT_CMPD_ID> (3,590)
WAY-330672

>  <CNC_ID> (3,590)
359318027

>  <transfer_container_id> (3,590)
PTN000000065

>  <COMPOUND_NUMBER> (3,590)
WAY-330672

>  <LOCATION_CODE> (3,590)
PTNCS

>  <AMOUNT_CURRENT> (3,590)
32.5

$$$$
WAY-330876
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  1  2  0  0  0  0
 12  8  2  0  0  0  0
 13  4  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  2  0  0  0  0
 16  2  1  0  0  0  0
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 18  5  2  0  0  0  0
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 20  6  1  0  0  0  0
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 22 20  2  0  0  0  0
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  9  5  1  0  0  0  0
 22 18  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,591)
3594

>  <Formula> (3,591)
C20H22N2O4

>  <MolWeight> (3,591)
354.39968

>  <PCAT_CMPD_ID> (3,591)
WAY-330876

>  <CNC_ID> (3,591)
359318231

>  <transfer_container_id> (3,591)
PTN000000065

>  <COMPOUND_NUMBER> (3,591)
WAY-330876

>  <LOCATION_CODE> (3,591)
PTNCS

>  <AMOUNT_CURRENT> (3,591)
32.5

$$$$
WAY-644004
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,592)
3595

>  <Formula> (3,592)
C15H19N5

>  <MolWeight> (3,592)
269.34486

>  <PCAT_CMPD_ID> (3,592)
WAY-644004

>  <CNC_ID> (3,592)
359325743

>  <transfer_container_id> (3,592)
PTN000000065

>  <COMPOUND_NUMBER> (3,592)
WAY-644004

>  <LOCATION_CODE> (3,592)
PTNCS

>  <AMOUNT_CURRENT> (3,592)
32.3

$$$$
WAY-642158
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  4  1  1  0  0  0  0
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 10  5  1  0  0  0  0
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 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
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 20  7  1  0  0  0  0
 21  6  2  0  0  0  0
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  5  2  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,593)
3596

>  <Formula> (3,593)
C18H17ClFNO3

>  <MolWeight> (3,593)
349.7838832

>  <PCAT_CMPD_ID> (3,593)
WAY-642158

>  <CNC_ID> (3,593)
359323896

>  <transfer_container_id> (3,593)
PTN000000065

>  <COMPOUND_NUMBER> (3,593)
WAY-642158

>  <LOCATION_CODE> (3,593)
PTNCS

>  <AMOUNT_CURRENT> (3,593)
32.8

$$$$
WAY-642951
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14  3  2  0  0  0  0
 15 11  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
 20 18  2  0  0  0  0
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  8  5  1  0  0  0  0
 21 19  2  0  0  0  0
 10  7  2  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,594)
3597

>  <Formula> (3,594)
C15H11N3O3

>  <MolWeight> (3,594)
281.26614

>  <PCAT_CMPD_ID> (3,594)
WAY-642951

>  <CNC_ID> (3,594)
359324689

>  <transfer_container_id> (3,594)
PTN000000065

>  <COMPOUND_NUMBER> (3,594)
WAY-642951

>  <LOCATION_CODE> (3,594)
PTNCS

>  <AMOUNT_CURRENT> (3,594)
32.4

$$$$
WAY-623479
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11  6  1  0  0  0  0
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 14 11  2  0  0  0  0
 15  7  2  0  0  0  0
 16  3  1  0  0  0  0
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 18  5  1  0  0  0  0
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 20  8  1  0  0  0  0
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 21 20  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,595)
3598

>  <Formula> (3,595)
C18H23NO5

>  <MolWeight> (3,595)
333.37892

>  <PCAT_CMPD_ID> (3,595)
WAY-623479

>  <CNC_ID> (3,595)
359322099

>  <transfer_container_id> (3,595)
PTN000000065

>  <COMPOUND_NUMBER> (3,595)
WAY-623479

>  <LOCATION_CODE> (3,595)
PTNCS

>  <AMOUNT_CURRENT> (3,595)
32.9

$$$$
WAY-330512
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
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 15 25  2  0  0  0  0
 20 16  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
>  <Mol_ID> (3,596)
3599

>  <Formula> (3,596)
C25H23N3O2

>  <MolWeight> (3,596)
397.46902

>  <PCAT_CMPD_ID> (3,596)
WAY-330512

>  <CNC_ID> (3,596)
359317867

>  <transfer_container_id> (3,596)
PTN000000065

>  <COMPOUND_NUMBER> (3,596)
WAY-330512

>  <LOCATION_CODE> (3,596)
PTNCS

>  <AMOUNT_CURRENT> (3,596)
32.5

$$$$
WAY-642455
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,597)
3600

>  <Formula> (3,597)
C17H16N4O3

>  <MolWeight> (3,597)
324.33394

>  <PCAT_CMPD_ID> (3,597)
WAY-642455

>  <CNC_ID> (3,597)
359324193

>  <transfer_container_id> (3,597)
PTN000000065

>  <COMPOUND_NUMBER> (3,597)
WAY-642455

>  <LOCATION_CODE> (3,597)
PTNCS

>  <AMOUNT_CURRENT> (3,597)
32.6

$$$$
WAY-616201
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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 17  3  1  0  0  0  0
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 20  6  1  0  0  0  0
 21 17  2  0  0  0  0
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 12 18  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,598)
3601

>  <Formula> (3,598)
C17H12F2O3

>  <MolWeight> (3,598)
302.2721864

>  <PCAT_CMPD_ID> (3,598)
WAY-616201

>  <CNC_ID> (3,598)
359321286

>  <transfer_container_id> (3,598)
PTN000000065

>  <COMPOUND_NUMBER> (3,598)
WAY-616201

>  <LOCATION_CODE> (3,598)
PTNCS

>  <AMOUNT_CURRENT> (3,598)
32.7

$$$$
WAY-615993
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,599)
3602

>  <Formula> (3,599)
C13H13ClN2S

>  <MolWeight> (3,599)
264.77372

>  <PCAT_CMPD_ID> (3,599)
WAY-615993

>  <CNC_ID> (3,599)
359321078

>  <transfer_container_id> (3,599)
PTN000000065

>  <COMPOUND_NUMBER> (3,599)
WAY-615993

>  <LOCATION_CODE> (3,599)
PTNCS

>  <AMOUNT_CURRENT> (3,599)
32.9

$$$$
WAY-616064
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,600)
3603

>  <Formula> (3,600)
C10H9N3O4

>  <MolWeight> (3,600)
235.19616

>  <PCAT_CMPD_ID> (3,600)
WAY-616064

>  <CNC_ID> (3,600)
359321149

>  <transfer_container_id> (3,600)
PTN000000065

>  <COMPOUND_NUMBER> (3,600)
WAY-616064

>  <LOCATION_CODE> (3,600)
PTNCS

>  <AMOUNT_CURRENT> (3,600)
32.8

$$$$
WAY-616257
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,601)
3604

>  <Formula> (3,601)
C16H15BrN2O6S

>  <MolWeight> (3,601)
443.2691

>  <PCAT_CMPD_ID> (3,601)
WAY-616257

>  <CNC_ID> (3,601)
359321342

>  <transfer_container_id> (3,601)
PTN000000065

>  <COMPOUND_NUMBER> (3,601)
WAY-616257

>  <LOCATION_CODE> (3,601)
PTNCS

>  <AMOUNT_CURRENT> (3,601)
32.3

$$$$
WAY-663286
csChFnd80/10101909502D

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 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,602)
3605

>  <Formula> (3,602)
C19H16FN3O4

>  <MolWeight> (3,602)
369.3464432

>  <PCAT_CMPD_ID> (3,602)
WAY-663286

>  <CNC_ID> (3,602)
359326189

>  <transfer_container_id> (3,602)
PTN000000065

>  <COMPOUND_NUMBER> (3,602)
WAY-663286

>  <LOCATION_CODE> (3,602)
PTNCS

>  <AMOUNT_CURRENT> (3,602)
32.7

$$$$
WAY-329177
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11 10  2  0  0  0  0
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M  END
>  <Mol_ID> (3,603)
3606

>  <Formula> (3,603)
C18H18N2O4

>  <MolWeight> (3,603)
326.34652

>  <PCAT_CMPD_ID> (3,603)
WAY-329177

>  <CNC_ID> (3,603)
359316542

>  <transfer_container_id> (3,603)
PTN000000065

>  <COMPOUND_NUMBER> (3,603)
WAY-329177

>  <LOCATION_CODE> (3,603)
PTNCS

>  <AMOUNT_CURRENT> (3,603)
32.5

$$$$
WAY-616002
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,604)
3607

>  <Formula> (3,604)
C13H13NO6

>  <MolWeight> (3,604)
279.24542

>  <PCAT_CMPD_ID> (3,604)
WAY-616002

>  <CNC_ID> (3,604)
359321087

>  <transfer_container_id> (3,604)
PTN000000065

>  <COMPOUND_NUMBER> (3,604)
WAY-616002

>  <LOCATION_CODE> (3,604)
PTNCS

>  <AMOUNT_CURRENT> (3,604)
32

$$$$
WAY-643474
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 17  5  1  0  0  0  0
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 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,605)
3608

>  <Formula> (3,605)
C12H9Cl2NO3

>  <MolWeight> (3,605)
286.11076

>  <PCAT_CMPD_ID> (3,605)
WAY-643474

>  <CNC_ID> (3,605)
359325212

>  <transfer_container_id> (3,605)
PTN000000065

>  <COMPOUND_NUMBER> (3,605)
WAY-643474

>  <LOCATION_CODE> (3,605)
PTNCS

>  <AMOUNT_CURRENT> (3,605)
32.9

$$$$
WAY-623540
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,606)
3609

>  <Formula> (3,606)
C19H18BrClN2O2

>  <MolWeight> (3,606)
421.71542

>  <PCAT_CMPD_ID> (3,606)
WAY-623540

>  <CNC_ID> (3,606)
359322160

>  <transfer_container_id> (3,606)
PTN000000065

>  <COMPOUND_NUMBER> (3,606)
WAY-623540

>  <LOCATION_CODE> (3,606)
PTNCS

>  <AMOUNT_CURRENT> (3,606)
32.9

$$$$
WAY-616141
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,607)
3610

>  <Formula> (3,607)
C20H23ClN2O4S

>  <MolWeight> (3,607)
422.92562

>  <PCAT_CMPD_ID> (3,607)
WAY-616141

>  <CNC_ID> (3,607)
359321226

>  <transfer_container_id> (3,607)
PTN000000065

>  <COMPOUND_NUMBER> (3,607)
WAY-616141

>  <LOCATION_CODE> (3,607)
PTNCS

>  <AMOUNT_CURRENT> (3,607)
32.5

$$$$
WAY-333588
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,608)
3611

>  <Formula> (3,608)
C24H32N4O4

>  <MolWeight> (3,608)
440.53528

>  <PCAT_CMPD_ID> (3,608)
WAY-333588

>  <CNC_ID> (3,608)
359332122

>  <transfer_container_id> (3,608)
PTN000000067

>  <COMPOUND_NUMBER> (3,608)
WAY-333588

>  <LOCATION_CODE> (3,608)
PTNCS

>  <AMOUNT_CURRENT> (3,608)
32.5

$$$$
WAY-642889
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,609)
3612

>  <Formula> (3,609)
C17H12N4

>  <MolWeight> (3,609)
272.30398

>  <PCAT_CMPD_ID> (3,609)
WAY-642889

>  <CNC_ID> (3,609)
359324627

>  <transfer_container_id> (3,609)
PTN000000065

>  <COMPOUND_NUMBER> (3,609)
WAY-642889

>  <LOCATION_CODE> (3,609)
PTNCS

>  <AMOUNT_CURRENT> (3,609)
32.4

$$$$
WAY-641976
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,610)
3613

>  <Formula> (3,610)
C17H16N2OS2

>  <MolWeight> (3,610)
328.45174

>  <PCAT_CMPD_ID> (3,610)
WAY-641976

>  <CNC_ID> (3,610)
359323714

>  <transfer_container_id> (3,610)
PTN000000065

>  <COMPOUND_NUMBER> (3,610)
WAY-641976

>  <LOCATION_CODE> (3,610)
PTNCS

>  <AMOUNT_CURRENT> (3,610)
32.2

$$$$
WAY-616035
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,611)
3614

>  <Formula> (3,611)
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>  <MolWeight> (3,611)
382.45782

>  <PCAT_CMPD_ID> (3,611)
WAY-616035

>  <CNC_ID> (3,611)
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>  <transfer_container_id> (3,611)
PTN000000065

>  <COMPOUND_NUMBER> (3,611)
WAY-616035

>  <LOCATION_CODE> (3,611)
PTNCS

>  <AMOUNT_CURRENT> (3,611)
32.4

$$$$
WAY-278429
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,612)
3615

>  <Formula> (3,612)
C12H10N2OS

>  <MolWeight> (3,612)
230.2856

>  <PCAT_CMPD_ID> (3,612)
WAY-278429

>  <CNC_ID> (3,612)
359327149

>  <transfer_container_id> (3,612)
PTN000000067

>  <COMPOUND_NUMBER> (3,612)
WAY-278429

>  <LOCATION_CODE> (3,612)
PTNCS

>  <AMOUNT_CURRENT> (3,612)
32.5

$$$$
WAY-642915
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,613)
3616

>  <Formula> (3,613)
C20H13FN4O2

>  <MolWeight> (3,613)
360.3412232

>  <PCAT_CMPD_ID> (3,613)
WAY-642915

>  <CNC_ID> (3,613)
359324653

>  <transfer_container_id> (3,613)
PTN000000065

>  <COMPOUND_NUMBER> (3,613)
WAY-642915

>  <LOCATION_CODE> (3,613)
PTNCS

>  <AMOUNT_CURRENT> (3,613)
32.5

$$$$
WAY-625501
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,614)
3617

>  <Formula> (3,614)
C19H20FN3O3

>  <MolWeight> (3,614)
357.3788032

>  <PCAT_CMPD_ID> (3,614)
WAY-625501

>  <CNC_ID> (3,614)
359334310

>  <transfer_container_id> (3,614)
PTN000000067

>  <COMPOUND_NUMBER> (3,614)
WAY-625501

>  <LOCATION_CODE> (3,614)
PTNCS

>  <AMOUNT_CURRENT> (3,614)
32.8

$$$$
WAY-644440
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,615)
3618

>  <Formula> (3,615)
C20H18N4O5

>  <MolWeight> (3,615)
394.38072

>  <PCAT_CMPD_ID> (3,615)
WAY-644440

>  <CNC_ID> (3,615)
359337112

>  <transfer_container_id> (3,615)
PTN000000067

>  <COMPOUND_NUMBER> (3,615)
WAY-644440

>  <LOCATION_CODE> (3,615)
PTNCS

>  <AMOUNT_CURRENT> (3,615)
32.4

$$$$
WAY-644489
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,616)
3619

>  <Formula> (3,616)
C12H9N3O5

>  <MolWeight> (3,616)
275.21696

>  <PCAT_CMPD_ID> (3,616)
WAY-644489

>  <CNC_ID> (3,616)
359337161

>  <transfer_container_id> (3,616)
PTN000000067

>  <COMPOUND_NUMBER> (3,616)
WAY-644489

>  <LOCATION_CODE> (3,616)
PTNCS

>  <AMOUNT_CURRENT> (3,616)
32.2

$$$$
WAY-335295
csChFnd80/10101909502D

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 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
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 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (3,617)
3620

>  <Formula> (3,617)
C18H19NO2

>  <MolWeight> (3,617)
281.34896

>  <PCAT_CMPD_ID> (3,617)
WAY-335295

>  <CNC_ID> (3,617)
359344556

>  <transfer_container_id> (3,617)
PTN000000068

>  <COMPOUND_NUMBER> (3,617)
WAY-335295

>  <LOCATION_CODE> (3,617)
PTNCS

>  <AMOUNT_CURRENT> (3,617)
32.5

$$$$
WAY-335318
csChFnd80/10101909502D

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 10  3  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  2  0  0  0  0
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 15  4  2  0  0  0  0
 16 17  1  0  0  0  0
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 18 13  1  0  0  0  0
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 20  5  2  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 24  2  0  0  0  0
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  4  2  1  0  0  0  0
 23 15  1  0  0  0  0
 22 21  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,618)
3621

>  <Formula> (3,618)
C18H14FNO4

>  <MolWeight> (3,618)
327.3064632

>  <PCAT_CMPD_ID> (3,618)
WAY-335318

>  <CNC_ID> (3,618)
359344579

>  <transfer_container_id> (3,618)
PTN000000068

>  <COMPOUND_NUMBER> (3,618)
WAY-335318

>  <LOCATION_CODE> (3,618)
PTNCS

>  <AMOUNT_CURRENT> (3,618)
32.5

$$$$
WAY-611852
csChFnd80/10101909502D

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 10  9  1  0  0  0  0
 11 20  1  0  0  0  0
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 13  5  1  0  0  0  0
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 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  2  0  0  0  0
 20 10  1  0  0  0  0
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  4  5  1  0  0  0  0
 24 23  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,619)
3622

>  <Formula> (3,619)
C19H18ClN3O

>  <MolWeight> (3,619)
339.81872

>  <PCAT_CMPD_ID> (3,619)
WAY-611852

>  <CNC_ID> (3,619)
359347754

>  <transfer_container_id> (3,619)
PTN000000068

>  <COMPOUND_NUMBER> (3,619)
WAY-611852

>  <LOCATION_CODE> (3,619)
PTNCS

>  <AMOUNT_CURRENT> (3,619)
29.7

$$$$
WAY-612416
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  2  0  0  0  0
 13  6  1  0  0  0  0
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 16  5  1  0  0  0  0
 17  4  1  0  0  0  0
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M  END
>  <Mol_ID> (3,620)
3623

>  <Formula> (3,620)
C17H18N4O4

>  <MolWeight> (3,620)
342.34922

>  <PCAT_CMPD_ID> (3,620)
WAY-612416

>  <CNC_ID> (3,620)
359348318

>  <transfer_container_id> (3,620)
PTN000000068

>  <COMPOUND_NUMBER> (3,620)
WAY-612416

>  <LOCATION_CODE> (3,620)
PTNCS

>  <AMOUNT_CURRENT> (3,620)
32.2

$$$$
WAY-612691
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
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M  END
>  <Mol_ID> (3,621)
3624

>  <Formula> (3,621)
C14H12N2O2S

>  <MolWeight> (3,621)
272.32228

>  <PCAT_CMPD_ID> (3,621)
WAY-612691

>  <CNC_ID> (3,621)
359348593

>  <transfer_container_id> (3,621)
PTN000000068

>  <COMPOUND_NUMBER> (3,621)
WAY-612691

>  <LOCATION_CODE> (3,621)
PTNCS

>  <AMOUNT_CURRENT> (3,621)
32.6

$$$$
WAY-628057
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
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 17 13  1  0  0  0  0
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 15 17  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,622)
3625

>  <Formula> (3,622)
C18H31N3O4S

>  <MolWeight> (3,622)
385.52144

>  <PCAT_CMPD_ID> (3,622)
WAY-628057

>  <CNC_ID> (3,622)
359349207

>  <transfer_container_id> (3,622)
PTN000000068

>  <COMPOUND_NUMBER> (3,622)
WAY-628057

>  <LOCATION_CODE> (3,622)
PTNCS

>  <AMOUNT_CURRENT> (3,622)
32.6

$$$$
WAY-275366
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  7  5  1  0  0  0  0
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  9 23  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  2  0  0  0  0
 16  8  2  0  0  0  0
 17 14  1  0  0  0  0
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 20 11  2  0  0  0  0
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 24  4  1  0  0  0  0
 25 28  2  0  0  0  0
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 29 19  2  0  0  0  0
 30 25  1  0  0  0  0
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  6  7  1  0  0  0  0
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 18 17  2  0  0  0  0
 23 27  2  0  0  0  0
M  END
>  <Mol_ID> (3,623)
3626

>  <Formula> (3,623)
C22H21N3O5S

>  <MolWeight> (3,623)
439.48424

>  <PCAT_CMPD_ID> (3,623)
WAY-275366

>  <CNC_ID> (3,623)
359355505

>  <transfer_container_id> (3,623)
PTN000000069

>  <COMPOUND_NUMBER> (3,623)
WAY-275366

>  <LOCATION_CODE> (3,623)
PTNCS

>  <AMOUNT_CURRENT> (3,623)
32.5

$$$$
WAY-337971
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17  7  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 11  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
  2  5  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (3,624)
3627

>  <Formula> (3,624)
C14H17N5O3

>  <MolWeight> (3,624)
303.31648

>  <PCAT_CMPD_ID> (3,624)
WAY-337971

>  <CNC_ID> (3,624)
359358588

>  <transfer_container_id> (3,624)
PTN000000069

>  <COMPOUND_NUMBER> (3,624)
WAY-337971

>  <LOCATION_CODE> (3,624)
PTNCS

>  <AMOUNT_CURRENT> (3,624)
32.5

$$$$
WAY-338687
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
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 23 19  1  0  0  0  0
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 25 24  2  0  0  0  0
  2  7  2  0  0  0  0
  9 12  1  0  0  0  0
 17 18  1  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,625)
3628

>  <Formula> (3,625)
C20H16N2O3

>  <MolWeight> (3,625)
332.35264

>  <PCAT_CMPD_ID> (3,625)
WAY-338687

>  <CNC_ID> (3,625)
359359304

>  <transfer_container_id> (3,625)
PTN000000069

>  <COMPOUND_NUMBER> (3,625)
WAY-338687

>  <LOCATION_CODE> (3,625)
PTNCS

>  <AMOUNT_CURRENT> (3,625)
32.5

$$$$
WAY-396018
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 19 23  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
M  END
>  <Mol_ID> (3,626)
3629

>  <Formula> (3,626)
C16H14N4O2S

>  <MolWeight> (3,626)
326.37296

>  <PCAT_CMPD_ID> (3,626)
WAY-396018

>  <CNC_ID> (3,626)
359361150

>  <transfer_container_id> (3,626)
PTN000000069

>  <COMPOUND_NUMBER> (3,626)
WAY-396018

>  <LOCATION_CODE> (3,626)
PTNCS

>  <AMOUNT_CURRENT> (3,626)
32.1

$$$$
WAY-613194
csChFnd80/10101909502D

 31 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,627)
3630

>  <Formula> (3,627)
C23H17FN4O2S

>  <MolWeight> (3,627)
432.4700832

>  <PCAT_CMPD_ID> (3,627)
WAY-613194

>  <CNC_ID> (3,627)
359361217

>  <transfer_container_id> (3,627)
PTN000000069

>  <COMPOUND_NUMBER> (3,627)
WAY-613194

>  <LOCATION_CODE> (3,627)
PTNCS

>  <AMOUNT_CURRENT> (3,627)
32

$$$$
WAY-613268
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (3,628)
3631

>  <Formula> (3,628)
C20H16N4O2S2

>  <MolWeight> (3,628)
408.49664

>  <PCAT_CMPD_ID> (3,628)
WAY-613268

>  <CNC_ID> (3,628)
359361291

>  <transfer_container_id> (3,628)
PTN000000069

>  <COMPOUND_NUMBER> (3,628)
WAY-613268

>  <LOCATION_CODE> (3,628)
PTNCS

>  <AMOUNT_CURRENT> (3,628)
32.1

$$$$
WAY-613293
csChFnd80/10101909502D

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 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
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 15  8  1  0  0  0  0
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 20 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,629)
3632

>  <Formula> (3,629)
C18H26N2O

>  <MolWeight> (3,629)
286.41184

>  <PCAT_CMPD_ID> (3,629)
WAY-613293

>  <CNC_ID> (3,629)
359361316

>  <transfer_container_id> (3,629)
PTN000000069

>  <COMPOUND_NUMBER> (3,629)
WAY-613293

>  <LOCATION_CODE> (3,629)
PTNCS

>  <AMOUNT_CURRENT> (3,629)
32.9

$$$$
WAY-614204
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,630)
3633

>  <Formula> (3,630)
C23H19N3O4S

>  <MolWeight> (3,630)
433.47966

>  <PCAT_CMPD_ID> (3,630)
WAY-614204

>  <CNC_ID> (3,630)
359362227

>  <transfer_container_id> (3,630)
PTN000000069

>  <COMPOUND_NUMBER> (3,630)
WAY-614204

>  <LOCATION_CODE> (3,630)
PTNCS

>  <AMOUNT_CURRENT> (3,630)
32.7

$$$$
WAY-614447
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,631)
3634

>  <Formula> (3,631)
C16H14OS

>  <MolWeight> (3,631)
254.34676

>  <PCAT_CMPD_ID> (3,631)
WAY-614447

>  <CNC_ID> (3,631)
359362470

>  <transfer_container_id> (3,631)
PTN000000069

>  <COMPOUND_NUMBER> (3,631)
WAY-614447

>  <LOCATION_CODE> (3,631)
PTNCS

>  <AMOUNT_CURRENT> (3,631)
32.6

$$$$
WAY-630369
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,632)
3635

>  <Formula> (3,632)
C17H15N5OS

>  <MolWeight> (3,632)
337.3989

>  <PCAT_CMPD_ID> (3,632)
WAY-630369

>  <CNC_ID> (3,632)
359362888

>  <transfer_container_id> (3,632)
PTN000000069

>  <COMPOUND_NUMBER> (3,632)
WAY-630369

>  <LOCATION_CODE> (3,632)
PTNCS

>  <AMOUNT_CURRENT> (3,632)
32.6

$$$$
WAY-630410
csChFnd80/10101909502D

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 11  8  2  0  0  0  0
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M  END
>  <Mol_ID> (3,633)
3636

>  <Formula> (3,633)
C16H17N5O

>  <MolWeight> (3,633)
295.33908

>  <PCAT_CMPD_ID> (3,633)
WAY-630410

>  <CNC_ID> (3,633)
359362929

>  <transfer_container_id> (3,633)
PTN000000069

>  <COMPOUND_NUMBER> (3,633)
WAY-630410

>  <LOCATION_CODE> (3,633)
PTNCS

>  <AMOUNT_CURRENT> (3,633)
32.9

$$$$
WAY-630427
csChFnd80/10101909502D

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 12  5  1  0  0  0  0
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M  END
>  <Mol_ID> (3,634)
3637

>  <Formula> (3,634)
C17H11N3O

>  <MolWeight> (3,634)
273.28874

>  <PCAT_CMPD_ID> (3,634)
WAY-630427

>  <CNC_ID> (3,634)
359362946

>  <transfer_container_id> (3,634)
PTN000000069

>  <COMPOUND_NUMBER> (3,634)
WAY-630427

>  <LOCATION_CODE> (3,634)
PTNCS

>  <AMOUNT_CURRENT> (3,634)
32.5

$$$$
WAY-630950
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,635)
3638

>  <Formula> (3,635)
C15H28N4O3

>  <MolWeight> (3,635)
312.40782

>  <PCAT_CMPD_ID> (3,635)
WAY-630950

>  <CNC_ID> (3,635)
359363469

>  <transfer_container_id> (3,635)
PTN000000069

>  <COMPOUND_NUMBER> (3,635)
WAY-630950

>  <LOCATION_CODE> (3,635)
PTNCS

>  <AMOUNT_CURRENT> (3,635)
32.2

$$$$
WAY-631147
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,636)
3639

>  <Formula> (3,636)
C19H15FO2

>  <MolWeight> (3,636)
294.3196032

>  <PCAT_CMPD_ID> (3,636)
WAY-631147

>  <CNC_ID> (3,636)
359363667

>  <transfer_container_id> (3,636)
PTN000000069

>  <COMPOUND_NUMBER> (3,636)
WAY-631147

>  <LOCATION_CODE> (3,636)
PTNCS

>  <AMOUNT_CURRENT> (3,636)
32.3

$$$$
WAY-631205
csChFnd80/10101909502D

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 15  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,637)
3640

>  <Formula> (3,637)
C19H18N2O3

>  <MolWeight> (3,637)
322.35782

>  <PCAT_CMPD_ID> (3,637)
WAY-631205

>  <CNC_ID> (3,637)
359363725

>  <transfer_container_id> (3,637)
PTN000000069

>  <COMPOUND_NUMBER> (3,637)
WAY-631205

>  <LOCATION_CODE> (3,637)
PTNCS

>  <AMOUNT_CURRENT> (3,637)
32.2

$$$$
WAY-631209
csChFnd80/10101909502D

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 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,638)
3641

>  <Formula> (3,638)
C14H10N2O3

>  <MolWeight> (3,638)
254.2408

>  <PCAT_CMPD_ID> (3,638)
WAY-631209

>  <CNC_ID> (3,638)
359363729

>  <transfer_container_id> (3,638)
PTN000000069

>  <COMPOUND_NUMBER> (3,638)
WAY-631209

>  <LOCATION_CODE> (3,638)
PTNCS

>  <AMOUNT_CURRENT> (3,638)
32.6

$$$$
WAY-631272
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (3,639)
3642

>  <Formula> (3,639)
C15H14O3

>  <MolWeight> (3,639)
242.26986

>  <PCAT_CMPD_ID> (3,639)
WAY-631272

>  <CNC_ID> (3,639)
359363792

>  <transfer_container_id> (3,639)
PTN000000069

>  <COMPOUND_NUMBER> (3,639)
WAY-631272

>  <LOCATION_CODE> (3,639)
PTNCS

>  <AMOUNT_CURRENT> (3,639)
32.7

$$$$
WAY-631351
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,640)
3643

>  <Formula> (3,640)
C20H17FO3

>  <MolWeight> (3,640)
324.3455832

>  <PCAT_CMPD_ID> (3,640)
WAY-631351

>  <CNC_ID> (3,640)
359363871

>  <transfer_container_id> (3,640)
PTN000000069

>  <COMPOUND_NUMBER> (3,640)
WAY-631351

>  <LOCATION_CODE> (3,640)
PTNCS

>  <AMOUNT_CURRENT> (3,640)
32

$$$$
WAY-649967
csChFnd80/10101909502D

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 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,641)
3644

>  <Formula> (3,641)
C18H20N2O2S

>  <MolWeight> (3,641)
328.4286

>  <PCAT_CMPD_ID> (3,641)
WAY-649967

>  <CNC_ID> (3,641)
359365674

>  <transfer_container_id> (3,641)
PTN000000069

>  <COMPOUND_NUMBER> (3,641)
WAY-649967

>  <LOCATION_CODE> (3,641)
PTNCS

>  <AMOUNT_CURRENT> (3,641)
32.1

$$$$
WAY-650574
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,642)
3645

>  <Formula> (3,642)
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>  <MolWeight> (3,642)
434.3255296

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WAY-650574

>  <CNC_ID> (3,642)
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>  <transfer_container_id> (3,642)
PTN000000069

>  <COMPOUND_NUMBER> (3,642)
WAY-650574

>  <LOCATION_CODE> (3,642)
PTNCS

>  <AMOUNT_CURRENT> (3,642)
32.9

$$$$
WAY-650942
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,643)
3646

>  <Formula> (3,643)
C20H17NO2

>  <MolWeight> (3,643)
303.35448

>  <PCAT_CMPD_ID> (3,643)
WAY-650942

>  <CNC_ID> (3,643)
359366649

>  <transfer_container_id> (3,643)
PTN000000069

>  <COMPOUND_NUMBER> (3,643)
WAY-650942

>  <LOCATION_CODE> (3,643)
PTNCS

>  <AMOUNT_CURRENT> (3,643)
32.6

$$$$
AY-17839-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,644)
3647

>  <Formula> (3,644)
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>  <MolWeight> (3,644)
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>  <PCAT_CMPD_ID> (3,644)
AY-17839-A

>  <CNC_ID> (3,644)
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>  <transfer_container_id> (3,644)
PTN000000070

>  <COMPOUND_NUMBER> (3,644)
AY-17839-A

>  <LOCATION_CODE> (3,644)
PTNCS

>  <AMOUNT_CURRENT> (3,644)
32.4

$$$$
CL-413490
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,645)
3648

>  <Formula> (3,645)
C18H16N2OS

>  <MolWeight> (3,645)
308.39744

>  <PCAT_CMPD_ID> (3,645)
CL-413490

>  <CNC_ID> (3,645)
359367446

>  <transfer_container_id> (3,645)
PTN000000070

>  <COMPOUND_NUMBER> (3,645)
CL-413490

>  <LOCATION_CODE> (3,645)
PTNCS

>  <AMOUNT_CURRENT> (3,645)
32.4

$$$$
CL-422592
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,646)
3649

>  <Formula> (3,646)
C15H10F5N

>  <MolWeight> (3,646)
299.238616

>  <PCAT_CMPD_ID> (3,646)
CL-422592

>  <CNC_ID> (3,646)
359367477

>  <transfer_container_id> (3,646)
PTN000000070

>  <COMPOUND_NUMBER> (3,646)
CL-422592

>  <LOCATION_CODE> (3,646)
PTNCS

>  <AMOUNT_CURRENT> (3,646)
32.7

$$$$
WAY-269264
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,647)
3650

>  <Formula> (3,647)
C17H16ClN3O

>  <MolWeight> (3,647)
313.78144

>  <PCAT_CMPD_ID> (3,647)
WAY-269264

>  <CNC_ID> (3,647)
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>  <transfer_container_id> (3,647)
PTN000000070

>  <COMPOUND_NUMBER> (3,647)
WAY-269264

>  <LOCATION_CODE> (3,647)
PTNCS

>  <AMOUNT_CURRENT> (3,647)
29.5

$$$$
WAY-600628
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,648)
3651

>  <Formula> (3,648)
C21H15N3O3

>  <MolWeight> (3,648)
357.3621

>  <PCAT_CMPD_ID> (3,648)
WAY-600628

>  <CNC_ID> (3,648)
359374347

>  <transfer_container_id> (3,648)
PTN000000070

>  <COMPOUND_NUMBER> (3,648)
WAY-600628

>  <LOCATION_CODE> (3,648)
PTNCS

>  <AMOUNT_CURRENT> (3,648)
32.8

$$$$
WAY-600747
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,649)
3652

>  <Formula> (3,649)
C20H15N3

>  <MolWeight> (3,649)
297.3532

>  <PCAT_CMPD_ID> (3,649)
WAY-600747

>  <CNC_ID> (3,649)
359374466

>  <transfer_container_id> (3,649)
PTN000000070

>  <COMPOUND_NUMBER> (3,649)
WAY-600747

>  <LOCATION_CODE> (3,649)
PTNCS

>  <AMOUNT_CURRENT> (3,649)
32.5

$$$$
WAY-600830
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,650)
3653

>  <Formula> (3,650)
C9H19NO3S

>  <MolWeight> (3,650)
221.31706

>  <PCAT_CMPD_ID> (3,650)
WAY-600830

>  <CNC_ID> (3,650)
359374558

>  <transfer_container_id> (3,650)
PTN000000070

>  <COMPOUND_NUMBER> (3,650)
WAY-600830

>  <LOCATION_CODE> (3,650)
PTNCS

>  <AMOUNT_CURRENT> (3,650)
32.3

$$$$
WAY-601776
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,651)
3654

>  <Formula> (3,651)
C15H11NOS

>  <MolWeight> (3,651)
253.31894

>  <PCAT_CMPD_ID> (3,651)
WAY-601776

>  <CNC_ID> (3,651)
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>  <transfer_container_id> (3,651)
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>  <COMPOUND_NUMBER> (3,651)
WAY-601776

>  <LOCATION_CODE> (3,651)
PTNCS

>  <AMOUNT_CURRENT> (3,651)
32.5

$$$$
WAY-615456
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,652)
3655

>  <Formula> (3,652)
C18H19NO

>  <MolWeight> (3,652)
265.34956

>  <PCAT_CMPD_ID> (3,652)
WAY-615456

>  <CNC_ID> (3,652)
359376178

>  <transfer_container_id> (3,652)
PTN000000070

>  <COMPOUND_NUMBER> (3,652)
WAY-615456

>  <LOCATION_CODE> (3,652)
PTNCS

>  <AMOUNT_CURRENT> (3,652)
32.9

$$$$
WAY-632835
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,653)
3656

>  <Formula> (3,653)
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>  <MolWeight> (3,653)
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>  <PCAT_CMPD_ID> (3,653)
WAY-632835

>  <CNC_ID> (3,653)
359376951

>  <transfer_container_id> (3,653)
PTN000000070

>  <COMPOUND_NUMBER> (3,653)
WAY-632835

>  <LOCATION_CODE> (3,653)
PTNCS

>  <AMOUNT_CURRENT> (3,653)
33

$$$$
WAY-633836
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,654)
3657

>  <Formula> (3,654)
C20H21N3O2

>  <MolWeight> (3,654)
335.39964

>  <PCAT_CMPD_ID> (3,654)
WAY-633836

>  <CNC_ID> (3,654)
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>  <transfer_container_id> (3,654)
PTN000000070

>  <COMPOUND_NUMBER> (3,654)
WAY-633836

>  <LOCATION_CODE> (3,654)
PTNCS

>  <AMOUNT_CURRENT> (3,654)
32.3

$$$$
WAY-652093
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,655)
3658

>  <Formula> (3,655)
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>  <MolWeight> (3,655)
270.36776

>  <PCAT_CMPD_ID> (3,655)
WAY-652093

>  <CNC_ID> (3,655)
359378974

>  <transfer_container_id> (3,655)
PTN000000070

>  <COMPOUND_NUMBER> (3,655)
WAY-652093

>  <LOCATION_CODE> (3,655)
PTNCS

>  <AMOUNT_CURRENT> (3,655)
32.3

$$$$
CL-331360
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,656)
3659

>  <Formula> (3,656)
C16H12N4

>  <MolWeight> (3,656)
260.29328

>  <PCAT_CMPD_ID> (3,656)
CL-331360

>  <CNC_ID> (3,656)
359380530

>  <transfer_container_id> (3,656)
PTN000000071

>  <COMPOUND_NUMBER> (3,656)
CL-331360

>  <LOCATION_CODE> (3,656)
PTNCS

>  <AMOUNT_CURRENT> (3,656)
32.2

$$$$
WAY-271638
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,657)
3660

>  <Formula> (3,657)
C17H13N5

>  <MolWeight> (3,657)
287.31862

>  <PCAT_CMPD_ID> (3,657)
WAY-271638

>  <CNC_ID> (3,657)
359381161

>  <transfer_container_id> (3,657)
PTN000000071

>  <COMPOUND_NUMBER> (3,657)
WAY-271638

>  <LOCATION_CODE> (3,657)
PTNCS

>  <AMOUNT_CURRENT> (3,657)
32.5

$$$$
WAY-271991
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,658)
3662

>  <Formula> (3,658)
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>  <MolWeight> (3,658)
385.20988

>  <PCAT_CMPD_ID> (3,658)
WAY-271991

>  <CNC_ID> (3,658)
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>  <transfer_container_id> (3,658)
PTN000000071

>  <COMPOUND_NUMBER> (3,658)
WAY-271991

>  <LOCATION_CODE> (3,658)
PTNCS

>  <AMOUNT_CURRENT> (3,658)
32.5

$$$$
WAY-272650
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,659)
3663

>  <Formula> (3,659)
C14H16N2O3S

>  <MolWeight> (3,659)
292.35344

>  <PCAT_CMPD_ID> (3,659)
WAY-272650

>  <CNC_ID> (3,659)
359382173

>  <transfer_container_id> (3,659)
PTN000000071

>  <COMPOUND_NUMBER> (3,659)
WAY-272650

>  <LOCATION_CODE> (3,659)
PTNCS

>  <AMOUNT_CURRENT> (3,659)
32.5

$$$$
WAY-320298
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,660)
3664

>  <Formula> (3,660)
C22H19N3O3

>  <MolWeight> (3,660)
373.40456

>  <PCAT_CMPD_ID> (3,660)
WAY-320298

>  <CNC_ID> (3,660)
359384625

>  <transfer_container_id> (3,660)
PTN000000071

>  <COMPOUND_NUMBER> (3,660)
WAY-320298

>  <LOCATION_CODE> (3,660)
PTNCS

>  <AMOUNT_CURRENT> (3,660)
32.5

$$$$
WAY-320319
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,661)
3665

>  <Formula> (3,661)
C15H16N2O2S

>  <MolWeight> (3,661)
288.36474

>  <PCAT_CMPD_ID> (3,661)
WAY-320319

>  <CNC_ID> (3,661)
359384645

>  <transfer_container_id> (3,661)
PTN000000071

>  <COMPOUND_NUMBER> (3,661)
WAY-320319

>  <LOCATION_CODE> (3,661)
PTNCS

>  <AMOUNT_CURRENT> (3,661)
32.5

$$$$
WAY-320388
csChFnd80/10101909502D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,662)
3666

>  <Formula> (3,662)
C20H17Cl2N3O2S

>  <MolWeight> (3,662)
434.33888

>  <PCAT_CMPD_ID> (3,662)
WAY-320388

>  <CNC_ID> (3,662)
359384713

>  <transfer_container_id> (3,662)
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>  <COMPOUND_NUMBER> (3,662)
WAY-320388

>  <LOCATION_CODE> (3,662)
PTNCS

>  <AMOUNT_CURRENT> (3,662)
32.5

$$$$
WAY-602785
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,663)
3667

>  <Formula> (3,663)
C21H22FNO3S

>  <MolWeight> (3,663)
387.4676832

>  <PCAT_CMPD_ID> (3,663)
WAY-602785

>  <CNC_ID> (3,663)
359388734

>  <transfer_container_id> (3,663)
PTN000000071

>  <COMPOUND_NUMBER> (3,663)
WAY-602785

>  <LOCATION_CODE> (3,663)
PTNCS

>  <AMOUNT_CURRENT> (3,663)
32.3

$$$$
WAY-603086
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 11  3  1  0  0  0  0
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 13 12  2  0  0  0  0
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 15 17  2  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
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  5  6  1  0  0  0  0
  7 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,664)
3668

>  <Formula> (3,664)
C13H13N3O4S

>  <MolWeight> (3,664)
307.32502

>  <PCAT_CMPD_ID> (3,664)
WAY-603086

>  <CNC_ID> (3,664)
359389034

>  <transfer_container_id> (3,664)
PTN000000071

>  <COMPOUND_NUMBER> (3,664)
WAY-603086

>  <LOCATION_CODE> (3,664)
PTNCS

>  <AMOUNT_CURRENT> (3,664)
32.7

$$$$
WAY-603471
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 13  3  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17 15  1  0  0  0  0
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 19  9  2  0  0  0  0
 20  4  1  0  0  0  0
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 13 14  2  0  0  0  0
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M  END
>  <Mol_ID> (3,665)
3669

>  <Formula> (3,665)
C19H19ClN4O2S

>  <MolWeight> (3,665)
402.89776

>  <PCAT_CMPD_ID> (3,665)
WAY-603471

>  <CNC_ID> (3,665)
359389419

>  <transfer_container_id> (3,665)
PTN000000071

>  <COMPOUND_NUMBER> (3,665)
WAY-603471

>  <LOCATION_CODE> (3,665)
PTNCS

>  <AMOUNT_CURRENT> (3,665)
32.6

$$$$
WAY-635252
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 13  9  2  0  0  0  0
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 15  1  1  0  0  0  0
 16  1  2  0  0  0  0
 17  2  1  0  0  0  0
 18  5  1  0  0  0  0
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 12 11  2  0  0  0  0
M  END
>  <Mol_ID> (3,666)
3670

>  <Formula> (3,666)
C17H17ClN2O4

>  <MolWeight> (3,666)
348.78088

>  <PCAT_CMPD_ID> (3,666)
WAY-635252

>  <CNC_ID> (3,666)
359390353

>  <transfer_container_id> (3,666)
PTN000000071

>  <COMPOUND_NUMBER> (3,666)
WAY-635252

>  <LOCATION_CODE> (3,666)
PTNCS

>  <AMOUNT_CURRENT> (3,666)
32.4

$$$$
WAY-655417
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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 13  5  1  0  0  0  0
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 15  6  2  0  0  0  0
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 18  3  1  0  0  0  0
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 12 14  2  0  0  0  0
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M  END
>  <Mol_ID> (3,667)
3671

>  <Formula> (3,667)
C18H26N2O2S

>  <MolWeight> (3,667)
334.47624

>  <PCAT_CMPD_ID> (3,667)
WAY-655417

>  <CNC_ID> (3,667)
359393657

>  <transfer_container_id> (3,667)
PTN000000071

>  <COMPOUND_NUMBER> (3,667)
WAY-655417

>  <LOCATION_CODE> (3,667)
PTNCS

>  <AMOUNT_CURRENT> (3,667)
33

$$$$
WAY-321490
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,668)
3672

>  <Formula> (3,668)
C13H16N4O3

>  <MolWeight> (3,668)
276.29114

>  <PCAT_CMPD_ID> (3,668)
WAY-321490

>  <CNC_ID> (3,668)
359397613

>  <transfer_container_id> (3,668)
PTN000000072

>  <COMPOUND_NUMBER> (3,668)
WAY-321490

>  <LOCATION_CODE> (3,668)
PTNCS

>  <AMOUNT_CURRENT> (3,668)
32.5

$$$$
WAY-321916
csChFnd80/10101909502D

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 10 14  2  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,669)
3673

>  <Formula> (3,669)
C17H12ClNO3S

>  <MolWeight> (3,669)
345.80008

>  <PCAT_CMPD_ID> (3,669)
WAY-321916

>  <CNC_ID> (3,669)
359398022

>  <transfer_container_id> (3,669)
PTN000000072

>  <COMPOUND_NUMBER> (3,669)
WAY-321916

>  <LOCATION_CODE> (3,669)
PTNCS

>  <AMOUNT_CURRENT> (3,669)
32.5

$$$$
WAY-321918
csChFnd80/10101909502D

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 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,670)
3674

>  <Formula> (3,670)
C22H20N2O3S

>  <MolWeight> (3,670)
392.4708

>  <PCAT_CMPD_ID> (3,670)
WAY-321918

>  <CNC_ID> (3,670)
359398024

>  <transfer_container_id> (3,670)
PTN000000072

>  <COMPOUND_NUMBER> (3,670)
WAY-321918

>  <LOCATION_CODE> (3,670)
PTNCS

>  <AMOUNT_CURRENT> (3,670)
32.5

$$$$
WAY-322006
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,671)
3675

>  <Formula> (3,671)
C17H11NO2S

>  <MolWeight> (3,671)
293.33974

>  <PCAT_CMPD_ID> (3,671)
WAY-322006

>  <CNC_ID> (3,671)
359398111

>  <transfer_container_id> (3,671)
PTN000000072

>  <COMPOUND_NUMBER> (3,671)
WAY-322006

>  <LOCATION_CODE> (3,671)
PTNCS

>  <AMOUNT_CURRENT> (3,671)
32.5

$$$$
WAY-322047
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,672)
3676

>  <Formula> (3,672)
C15H16N2O

>  <MolWeight> (3,672)
240.30034

>  <PCAT_CMPD_ID> (3,672)
WAY-322047

>  <CNC_ID> (3,672)
359398152

>  <transfer_container_id> (3,672)
PTN000000072

>  <COMPOUND_NUMBER> (3,672)
WAY-322047

>  <LOCATION_CODE> (3,672)
PTNCS

>  <AMOUNT_CURRENT> (3,672)
32.5

$$$$
WAY-322232-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,673)
3677

>  <Formula> (3,673)
C16H18N2O2

>  <MolWeight> (3,673)
270.32632

>  <PCAT_CMPD_ID> (3,673)
WAY-322232-A

>  <CNC_ID> (3,673)
359398334

>  <transfer_container_id> (3,673)
PTN000000072

>  <COMPOUND_NUMBER> (3,673)
WAY-322232-A

>  <LOCATION_CODE> (3,673)
PTNCS

>  <AMOUNT_CURRENT> (3,673)
32.5

$$$$
WAY-322572
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,674)
3678

>  <Formula> (3,674)
C20H21N3OS

>  <MolWeight> (3,674)
351.46524

>  <PCAT_CMPD_ID> (3,674)
WAY-322572

>  <CNC_ID> (3,674)
359398650

>  <transfer_container_id> (3,674)
PTN000000072

>  <COMPOUND_NUMBER> (3,674)
WAY-322572

>  <LOCATION_CODE> (3,674)
PTNCS

>  <AMOUNT_CURRENT> (3,674)
32.5

$$$$
WAY-323031
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,675)
3679

>  <Formula> (3,675)
C15H14O3

>  <MolWeight> (3,675)
242.26986

>  <PCAT_CMPD_ID> (3,675)
WAY-323031

>  <CNC_ID> (3,675)
359399102

>  <transfer_container_id> (3,675)
PTN000000072

>  <COMPOUND_NUMBER> (3,675)
WAY-323031

>  <LOCATION_CODE> (3,675)
PTNCS

>  <AMOUNT_CURRENT> (3,675)
32.5

$$$$
WAY-323196
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,676)
3680

>  <Formula> (3,676)
C14H15N3O2S

>  <MolWeight> (3,676)
289.3528

>  <PCAT_CMPD_ID> (3,676)
WAY-323196

>  <CNC_ID> (3,676)
359399266

>  <transfer_container_id> (3,676)
PTN000000072

>  <COMPOUND_NUMBER> (3,676)
WAY-323196

>  <LOCATION_CODE> (3,676)
PTNCS

>  <AMOUNT_CURRENT> (3,676)
32.5

$$$$
WAY-603603
csChFnd80/10101909502D

 23 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,677)
3681

>  <Formula> (3,677)
C16H12N4OS2

>  <MolWeight> (3,677)
340.42268

>  <PCAT_CMPD_ID> (3,677)
WAY-603603

>  <CNC_ID> (3,677)
359401435

>  <transfer_container_id> (3,677)
PTN000000072

>  <COMPOUND_NUMBER> (3,677)
WAY-603603

>  <LOCATION_CODE> (3,677)
PTNCS

>  <AMOUNT_CURRENT> (3,677)
32.9

$$$$
WAY-603730
csChFnd80/10101909502D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,678)
3682

>  <Formula> (3,678)
C23H18N2O2S

>  <MolWeight> (3,678)
386.46622

>  <PCAT_CMPD_ID> (3,678)
WAY-603730

>  <CNC_ID> (3,678)
359401566

>  <transfer_container_id> (3,678)
PTN000000072

>  <COMPOUND_NUMBER> (3,678)
WAY-603730

>  <LOCATION_CODE> (3,678)
PTNCS

>  <AMOUNT_CURRENT> (3,678)
32.5

$$$$
WAY-604467
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,679)
3683

>  <Formula> (3,679)
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>  <MolWeight> (3,679)
239.22946

>  <PCAT_CMPD_ID> (3,679)
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>  <CNC_ID> (3,679)
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>  <transfer_container_id> (3,679)
PTN000000072

>  <COMPOUND_NUMBER> (3,679)
WAY-604467

>  <LOCATION_CODE> (3,679)
PTNCS

>  <AMOUNT_CURRENT> (3,679)
32.7

$$$$
WAY-604630-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,680)
3684

>  <Formula> (3,680)
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>  <MolWeight> (3,680)
236.31164

>  <PCAT_CMPD_ID> (3,680)
WAY-604630-A

>  <CNC_ID> (3,680)
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>  <transfer_container_id> (3,680)
PTN000000072

>  <COMPOUND_NUMBER> (3,680)
WAY-604630-A

>  <LOCATION_CODE> (3,680)
PTNCS

>  <AMOUNT_CURRENT> (3,680)
32.3

$$$$
WAY-605657
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,681)
3685

>  <Formula> (3,681)
C18H15NO4

>  <MolWeight> (3,681)
309.316

>  <PCAT_CMPD_ID> (3,681)
WAY-605657

>  <CNC_ID> (3,681)
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>  <transfer_container_id> (3,681)
PTN000000072

>  <COMPOUND_NUMBER> (3,681)
WAY-605657

>  <LOCATION_CODE> (3,681)
PTNCS

>  <AMOUNT_CURRENT> (3,681)
32.3

$$$$
WAY-605889
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,682)
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>  <Formula> (3,682)
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>  <MolWeight> (3,682)
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>  <PCAT_CMPD_ID> (3,682)
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>  <CNC_ID> (3,682)
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>  <transfer_container_id> (3,682)
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>  <COMPOUND_NUMBER> (3,682)
WAY-605889

>  <LOCATION_CODE> (3,682)
PTNCS

>  <AMOUNT_CURRENT> (3,682)
32.7

$$$$
WAY-637967
csChFnd80/10101909502D

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>  <Mol_ID> (3,683)
3687

>  <Formula> (3,683)
C19H16N2O5

>  <MolWeight> (3,683)
352.34074

>  <PCAT_CMPD_ID> (3,683)
WAY-637967

>  <CNC_ID> (3,683)
359404946

>  <transfer_container_id> (3,683)
PTN000000072

>  <COMPOUND_NUMBER> (3,683)
WAY-637967

>  <LOCATION_CODE> (3,683)
PTNCS

>  <AMOUNT_CURRENT> (3,683)
32.5

$$$$
WAY-656893
csChFnd80/10101909502D

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>  <Mol_ID> (3,684)
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>  <MolWeight> (3,684)
260.24538

>  <PCAT_CMPD_ID> (3,684)
WAY-656893

>  <CNC_ID> (3,684)
359406607

>  <transfer_container_id> (3,684)
PTN000000072

>  <COMPOUND_NUMBER> (3,684)
WAY-656893

>  <LOCATION_CODE> (3,684)
PTNCS

>  <AMOUNT_CURRENT> (3,684)
32.1

$$$$
WAY-657801
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (3,685)
3689

>  <Formula> (3,685)
C14H14N2O3

>  <MolWeight> (3,685)
258.27256

>  <PCAT_CMPD_ID> (3,685)
WAY-657801

>  <CNC_ID> (3,685)
359407514

>  <transfer_container_id> (3,685)
PTN000000072

>  <COMPOUND_NUMBER> (3,685)
WAY-657801

>  <LOCATION_CODE> (3,685)
PTNCS

>  <AMOUNT_CURRENT> (3,685)
32.2

$$$$
WAY-323594
csChFnd80/10101909502D

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 10  4  1  0  0  0  0
 11  2  2  0  0  0  0
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 13 10  2  0  0  0  0
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 15  8  1  0  0  0  0
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  7  9  1  0  0  0  0
  6  4  1  0  0  0  0
 16 12  2  0  0  0  0
 23 17  2  0  0  0  0
M  END
>  <Mol_ID> (3,686)
3690

>  <Formula> (3,686)
C16H10ClN3O3S

>  <MolWeight> (3,686)
359.7869

>  <PCAT_CMPD_ID> (3,686)
WAY-323594

>  <CNC_ID> (3,686)
359410342

>  <transfer_container_id> (3,686)
PTN000000073

>  <COMPOUND_NUMBER> (3,686)
WAY-323594

>  <LOCATION_CODE> (3,686)
PTNCS

>  <AMOUNT_CURRENT> (3,686)
32.5

$$$$
WAY-323711
csChFnd80/10101909502D

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 12 15  1  0  0  0  0
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M  END
>  <Mol_ID> (3,687)
3691

>  <Formula> (3,687)
C20H21NO6

>  <MolWeight> (3,687)
371.38384

>  <PCAT_CMPD_ID> (3,687)
WAY-323711

>  <CNC_ID> (3,687)
359410456

>  <transfer_container_id> (3,687)
PTN000000073

>  <COMPOUND_NUMBER> (3,687)
WAY-323711

>  <LOCATION_CODE> (3,687)
PTNCS

>  <AMOUNT_CURRENT> (3,687)
32.5

$$$$
WAY-323883
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,688)
3692

>  <Formula> (3,688)
C12H9NO3

>  <MolWeight> (3,688)
215.20476

>  <PCAT_CMPD_ID> (3,688)
WAY-323883

>  <CNC_ID> (3,688)
359410624

>  <transfer_container_id> (3,688)
PTN000000073

>  <COMPOUND_NUMBER> (3,688)
WAY-323883

>  <LOCATION_CODE> (3,688)
PTNCS

>  <AMOUNT_CURRENT> (3,688)
32.5

$$$$
WAY-324098
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,689)
3693

>  <Formula> (3,689)
C11H14N4

>  <MolWeight> (3,689)
202.25566

>  <PCAT_CMPD_ID> (3,689)
WAY-324098

>  <CNC_ID> (3,689)
359410835

>  <transfer_container_id> (3,689)
PTN000000073

>  <COMPOUND_NUMBER> (3,689)
WAY-324098

>  <LOCATION_CODE> (3,689)
PTNCS

>  <AMOUNT_CURRENT> (3,689)
32.5

$$$$
WAY-324229
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,690)
3694

>  <Formula> (3,690)
C16H17NO2

>  <MolWeight> (3,690)
255.31168

>  <PCAT_CMPD_ID> (3,690)
WAY-324229

>  <CNC_ID> (3,690)
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>  <transfer_container_id> (3,690)
PTN000000073

>  <COMPOUND_NUMBER> (3,690)
WAY-324229

>  <LOCATION_CODE> (3,690)
PTNCS

>  <AMOUNT_CURRENT> (3,690)
32.5

$$$$
WAY-324882
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,691)
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>  <Formula> (3,691)
C13H15N3O2

>  <MolWeight> (3,691)
245.2771

>  <PCAT_CMPD_ID> (3,691)
WAY-324882

>  <CNC_ID> (3,691)
359411611

>  <transfer_container_id> (3,691)
PTN000000073

>  <COMPOUND_NUMBER> (3,691)
WAY-324882

>  <LOCATION_CODE> (3,691)
PTNCS

>  <AMOUNT_CURRENT> (3,691)
32.5

$$$$
WAY-324938
csChFnd80/10101909502D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,692)
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>  <Formula> (3,692)
C12H15N3S2

>  <MolWeight> (3,692)
265.3976

>  <PCAT_CMPD_ID> (3,692)
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>  <CNC_ID> (3,692)
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>  <transfer_container_id> (3,692)
PTN000000073

>  <COMPOUND_NUMBER> (3,692)
WAY-324938

>  <LOCATION_CODE> (3,692)
PTNCS

>  <AMOUNT_CURRENT> (3,692)
32.5

$$$$
WAY-325139
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,693)
3697

>  <Formula> (3,693)
C16H15NO4S2

>  <MolWeight> (3,693)
349.4246

>  <PCAT_CMPD_ID> (3,693)
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>  <CNC_ID> (3,693)
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>  <transfer_container_id> (3,693)
PTN000000073

>  <COMPOUND_NUMBER> (3,693)
WAY-325139

>  <LOCATION_CODE> (3,693)
PTNCS

>  <AMOUNT_CURRENT> (3,693)
32.5

$$$$
WAY-325147-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,694)
3698

>  <Formula> (3,694)
C19H18NO+

>  <MolWeight> (3,694)
276.35232

>  <PCAT_CMPD_ID> (3,694)
WAY-325147-A

>  <CNC_ID> (3,694)
359411868

>  <transfer_container_id> (3,694)
PTN000000073

>  <COMPOUND_NUMBER> (3,694)
WAY-325147-A

>  <LOCATION_CODE> (3,694)
PTNCS

>  <AMOUNT_CURRENT> (3,694)
32.5

$$$$
WAY-325152
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,695)
3699

>  <Formula> (3,695)
C13H17N3OS

>  <MolWeight> (3,695)
263.35858

>  <PCAT_CMPD_ID> (3,695)
WAY-325152

>  <CNC_ID> (3,695)
359411873

>  <transfer_container_id> (3,695)
PTN000000073

>  <COMPOUND_NUMBER> (3,695)
WAY-325152

>  <LOCATION_CODE> (3,695)
PTNCS

>  <AMOUNT_CURRENT> (3,695)
32.5

$$$$
WAY-658017
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,696)
3700

>  <Formula> (3,696)
C24H21N5O

>  <MolWeight> (3,696)
395.45644

>  <PCAT_CMPD_ID> (3,696)
WAY-658017

>  <CNC_ID> (3,696)
359418073

>  <transfer_container_id> (3,696)
PTN000000073

>  <COMPOUND_NUMBER> (3,696)
WAY-658017

>  <LOCATION_CODE> (3,696)
PTNCS

>  <AMOUNT_CURRENT> (3,696)
32.2

$$$$
WAY-659349
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,697)
3701

>  <Formula> (3,697)
C18H13F3N2O2

>  <MolWeight> (3,697)
346.3032296

>  <PCAT_CMPD_ID> (3,697)
WAY-659349

>  <CNC_ID> (3,697)
359419402

>  <transfer_container_id> (3,697)
PTN000000073

>  <COMPOUND_NUMBER> (3,697)
WAY-659349

>  <LOCATION_CODE> (3,697)
PTNCS

>  <AMOUNT_CURRENT> (3,697)
32.7

$$$$
WAY-659384
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
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M  END
>  <Mol_ID> (3,698)
3702

>  <Formula> (3,698)
C19H20N2O2S2

>  <MolWeight> (3,698)
372.5043

>  <PCAT_CMPD_ID> (3,698)
WAY-659384

>  <CNC_ID> (3,698)
359419437

>  <transfer_container_id> (3,698)
PTN000000073

>  <COMPOUND_NUMBER> (3,698)
WAY-659384

>  <LOCATION_CODE> (3,698)
PTNCS

>  <AMOUNT_CURRENT> (3,698)
32.3

$$$$
WAY-659459
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 15  5  1  0  0  0  0
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M  END
>  <Mol_ID> (3,699)
3703

>  <Formula> (3,699)
C17H15NO2

>  <MolWeight> (3,699)
265.3065

>  <PCAT_CMPD_ID> (3,699)
WAY-659459

>  <CNC_ID> (3,699)
359419512

>  <transfer_container_id> (3,699)
PTN000000073

>  <COMPOUND_NUMBER> (3,699)
WAY-659459

>  <LOCATION_CODE> (3,699)
PTNCS

>  <AMOUNT_CURRENT> (3,699)
32.6

$$$$
WAY-326252
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 18 16  1  0  0  0  0
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M  END
>  <Mol_ID> (3,700)
3704

>  <Formula> (3,700)
C17H17N3O3S2

>  <MolWeight> (3,700)
375.46518

>  <PCAT_CMPD_ID> (3,700)
WAY-326252

>  <CNC_ID> (3,700)
359423226

>  <transfer_container_id> (3,700)
PTN000000074

>  <COMPOUND_NUMBER> (3,700)
WAY-326252

>  <LOCATION_CODE> (3,700)
PTNCS

>  <AMOUNT_CURRENT> (3,700)
32.5

$$$$
WAY-326253
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
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  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
  2  4  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,701)
3705

>  <Formula> (3,701)
C9H9N3O2S

>  <MolWeight> (3,701)
223.25166

>  <PCAT_CMPD_ID> (3,701)
WAY-326253

>  <CNC_ID> (3,701)
359423227

>  <transfer_container_id> (3,701)
PTN000000074

>  <COMPOUND_NUMBER> (3,701)
WAY-326253

>  <LOCATION_CODE> (3,701)
PTNCS

>  <AMOUNT_CURRENT> (3,701)
32.5

$$$$
WAY-326422
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  3  2  0  0  0  0
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 14  4  1  0  0  0  0
 15 16  1  0  0  0  0
 16  2  1  0  0  0  0
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 20 17  2  0  0  0  0
 23  5  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,702)
3706

>  <Formula> (3,702)
C18H19BrF2N2O2S

>  <MolWeight> (3,702)
445.3214664

>  <PCAT_CMPD_ID> (3,702)
WAY-326422

>  <CNC_ID> (3,702)
359423391

>  <transfer_container_id> (3,702)
PTN000000074

>  <COMPOUND_NUMBER> (3,702)
WAY-326422

>  <LOCATION_CODE> (3,702)
PTNCS

>  <AMOUNT_CURRENT> (3,702)
32.5

$$$$
WAY-326426
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  2  0  0  0  0
 16  4  1  0  0  0  0
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 24  8  1  0  0  0  0
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M  END
>  <Mol_ID> (3,703)
3707

>  <Formula> (3,703)
C19H21BrFN3O3S

>  <MolWeight> (3,703)
470.3557432

>  <PCAT_CMPD_ID> (3,703)
WAY-326426

>  <CNC_ID> (3,703)
359423395

>  <transfer_container_id> (3,703)
PTN000000074

>  <COMPOUND_NUMBER> (3,703)
WAY-326426

>  <LOCATION_CODE> (3,703)
PTNCS

>  <AMOUNT_CURRENT> (3,703)
32.5

$$$$
WAY-639753
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,704)
3708

>  <Formula> (3,704)
C9H6N2O4

>  <MolWeight> (3,704)
206.15494

>  <PCAT_CMPD_ID> (3,704)
WAY-639753

>  <CNC_ID> (3,704)
359429804

>  <transfer_container_id> (3,704)
PTN000000074

>  <COMPOUND_NUMBER> (3,704)
WAY-639753

>  <LOCATION_CODE> (3,704)
PTNCS

>  <AMOUNT_CURRENT> (3,704)
32

$$$$
WAY-662076-A
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,705)
3709

>  <Formula> (3,705)
C10H11ClFN

>  <MolWeight> (3,705)
199.6524432

>  <PCAT_CMPD_ID> (3,705)
WAY-662076-A

>  <CNC_ID> (3,705)
359433313

>  <transfer_container_id> (3,705)
PTN000000074

>  <COMPOUND_NUMBER> (3,705)
WAY-662076-A

>  <LOCATION_CODE> (3,705)
PTNCS

>  <AMOUNT_CURRENT> (3,705)
32.5

$$$$
WAY-662239
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 27 26  2  0  0  0  0
M  END
>  <Mol_ID> (3,706)
3710

>  <Formula> (3,706)
C19H17N5O2S

>  <MolWeight> (3,706)
379.43558

>  <PCAT_CMPD_ID> (3,706)
WAY-662239

>  <CNC_ID> (3,706)
359433476

>  <transfer_container_id> (3,706)
PTN000000074

>  <COMPOUND_NUMBER> (3,706)
WAY-662239

>  <LOCATION_CODE> (3,706)
PTNCS

>  <AMOUNT_CURRENT> (3,706)
32.6

$$$$
WAY-332688
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,707)
3711

>  <Formula> (3,707)
C23H22N2O4S

>  <MolWeight> (3,707)
422.49678

>  <PCAT_CMPD_ID> (3,707)
WAY-332688

>  <CNC_ID> (3,707)
359331224

>  <transfer_container_id> (3,707)
PTN000000067

>  <COMPOUND_NUMBER> (3,707)
WAY-332688

>  <LOCATION_CODE> (3,707)
PTNCS

>  <AMOUNT_CURRENT> (3,707)
32.5

$$$$
WAY-642890
csChFnd80/10101909502D

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 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (3,708)
3712

>  <Formula> (3,708)
C12H10N4O2S

>  <MolWeight> (3,708)
274.2984

>  <PCAT_CMPD_ID> (3,708)
WAY-642890

>  <CNC_ID> (3,708)
359324628

>  <transfer_container_id> (3,708)
PTN000000065

>  <COMPOUND_NUMBER> (3,708)
WAY-642890

>  <LOCATION_CODE> (3,708)
PTNCS

>  <AMOUNT_CURRENT> (3,708)
32.5

$$$$
WAY-616065
csChFnd80/10101909502D

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 10  6  1  0  0  0  0
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 15 13  2  0  0  0  0
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M  END
>  <Mol_ID> (3,709)
3713

>  <Formula> (3,709)
C18H21N7O2

>  <MolWeight> (3,709)
367.40504

>  <PCAT_CMPD_ID> (3,709)
WAY-616065

>  <CNC_ID> (3,709)
359321150

>  <transfer_container_id> (3,709)
PTN000000065

>  <COMPOUND_NUMBER> (3,709)
WAY-616065

>  <LOCATION_CODE> (3,709)
PTNCS

>  <AMOUNT_CURRENT> (3,709)
32.9

$$$$
WAY-297798
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,710)
3714

>  <Formula> (3,710)
C22H25N3O4

>  <MolWeight> (3,710)
395.4516

>  <PCAT_CMPD_ID> (3,710)
WAY-297798

>  <CNC_ID> (3,710)
359344242

>  <transfer_container_id> (3,710)
PTN000000068

>  <COMPOUND_NUMBER> (3,710)
WAY-297798

>  <LOCATION_CODE> (3,710)
PTNCS

>  <AMOUNT_CURRENT> (3,710)
33.4

$$$$
WAY-297676
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,711)
3715

>  <Formula> (3,711)
C14H10BrN3O3

>  <MolWeight> (3,711)
348.1515

>  <PCAT_CMPD_ID> (3,711)
WAY-297676

>  <CNC_ID> (3,711)
359344120

>  <transfer_container_id> (3,711)
PTN000000068

>  <COMPOUND_NUMBER> (3,711)
WAY-297676

>  <LOCATION_CODE> (3,711)
PTNCS

>  <AMOUNT_CURRENT> (3,711)
33.4

$$$$
WL-25786
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,712)
3716

>  <Formula> (3,712)
C6H4N4O2S

>  <MolWeight> (3,712)
196.18656

>  <PCAT_CMPD_ID> (3,712)
WL-25786

>  <CNC_ID> (3,712)
359353686

>  <transfer_container_id> (3,712)
PTN000000068

>  <COMPOUND_NUMBER> (3,712)
WL-25786

>  <LOCATION_CODE> (3,712)
PTNCS

>  <AMOUNT_CURRENT> (3,712)
33.2

$$$$
WAY-298467
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,713)
3717

>  <Formula> (3,713)
C14H16ClN3O2S

>  <MolWeight> (3,713)
325.81374

>  <PCAT_CMPD_ID> (3,713)
WAY-298467

>  <CNC_ID> (3,713)
359357461

>  <transfer_container_id> (3,713)
PTN000000069

>  <COMPOUND_NUMBER> (3,713)
WAY-298467

>  <LOCATION_CODE> (3,713)
PTNCS

>  <AMOUNT_CURRENT> (3,713)
33.2

$$$$
WAY-388472
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,714)
3718

>  <Formula> (3,714)
C14H14N2O3S

>  <MolWeight> (3,714)
290.33756

>  <PCAT_CMPD_ID> (3,714)
WAY-388472

>  <CNC_ID> (3,714)
359372610

>  <transfer_container_id> (3,714)
PTN000000070

>  <COMPOUND_NUMBER> (3,714)
WAY-388472

>  <LOCATION_CODE> (3,714)
PTNCS

>  <AMOUNT_CURRENT> (3,714)
26

$$$$
WAY-228318
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,715)
3719

>  <Formula> (3,715)
C19H20N2O3S

>  <MolWeight> (3,715)
356.4387

>  <PCAT_CMPD_ID> (3,715)
WAY-228318

>  <CNC_ID> (3,715)
359408003

>  <transfer_container_id> (3,715)
PTN000000073

>  <COMPOUND_NUMBER> (3,715)
WAY-228318

>  <LOCATION_CODE> (3,715)
PTNCS

>  <AMOUNT_CURRENT> (3,715)
33.4

$$$$
WAY-312584
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,716)
3720

>  <Formula> (3,716)
C11H13NOS

>  <MolWeight> (3,716)
207.29202

>  <PCAT_CMPD_ID> (3,716)
WAY-312584

>  <CNC_ID> (3,716)
359327621

>  <transfer_container_id> (3,716)
PTN000000067

>  <COMPOUND_NUMBER> (3,716)
WAY-312584

>  <LOCATION_CODE> (3,716)
PTNCS

>  <AMOUNT_CURRENT> (3,716)
33.8

$$$$
CL-42016
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,717)
3721

>  <Formula> (3,717)
C15H17NO2

>  <MolWeight> (3,717)
243.30098

>  <PCAT_CMPD_ID> (3,717)
CL-42016

>  <CNC_ID> (3,717)
359339930

>  <transfer_container_id> (3,717)
PTN000000068

>  <COMPOUND_NUMBER> (3,717)
CL-42016

>  <LOCATION_CODE> (3,717)
PTNCS

>  <AMOUNT_CURRENT> (3,717)
33.3

$$$$
WAY-114862
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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 10  7  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
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 15 11  1  0  0  0  0
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  4  5  1  0  0  0  0
 16 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,718)
3722

>  <Formula> (3,718)
C12H20N2OS

>  <MolWeight> (3,718)
240.365

>  <PCAT_CMPD_ID> (3,718)
WAY-114862

>  <CNC_ID> (3,718)
359340040

>  <transfer_container_id> (3,718)
PTN000000068

>  <COMPOUND_NUMBER> (3,718)
WAY-114862

>  <LOCATION_CODE> (3,718)
PTNCS

>  <AMOUNT_CURRENT> (3,718)
33.5

$$$$
WAY-234297
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
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 11 15  2  0  0  0  0
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 13 17  2  0  0  0  0
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 21 23  1  0  0  0  0
  8 12  1  0  0  0  0
 13 15  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,719)
3723

>  <Formula> (3,719)
C17H12O6

>  <MolWeight> (3,719)
312.27358

>  <PCAT_CMPD_ID> (3,719)
WAY-234297

>  <CNC_ID> (3,719)
359340271

>  <transfer_container_id> (3,719)
PTN000000068

>  <COMPOUND_NUMBER> (3,719)
WAY-234297

>  <LOCATION_CODE> (3,719)
PTNCS

>  <AMOUNT_CURRENT> (3,719)
29.7

$$$$
WAY-296551
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
  9 14  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,720)
3724

>  <Formula> (3,720)
C17H21N3O3S

>  <MolWeight> (3,720)
347.43194

>  <PCAT_CMPD_ID> (3,720)
WAY-296551

>  <CNC_ID> (3,720)
359342995

>  <transfer_container_id> (3,720)
PTN000000068

>  <COMPOUND_NUMBER> (3,720)
WAY-296551

>  <LOCATION_CODE> (3,720)
PTNCS

>  <AMOUNT_CURRENT> (3,720)
33.4

$$$$
WAY-296641
csChFnd80/10101909502D

 35 39  0  0  0  0  0  0  0  0999 V2000
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 15 22  1  0  0  0  0
 29 34  2  0  0  0  0
 30 31  2  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (3,721)
3725

>  <Formula> (3,721)
C26H28N6O2S

>  <MolWeight> (3,721)
488.60452

>  <PCAT_CMPD_ID> (3,721)
WAY-296641

>  <CNC_ID> (3,721)
359343085

>  <transfer_container_id> (3,721)
PTN000000068

>  <COMPOUND_NUMBER> (3,721)
WAY-296641

>  <LOCATION_CODE> (3,721)
PTNCS

>  <AMOUNT_CURRENT> (3,721)
33.3

$$$$
WAY-297160
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,722)
3726

>  <Formula> (3,722)
C17H12N2O4S

>  <MolWeight> (3,722)
340.35318

>  <PCAT_CMPD_ID> (3,722)
WAY-297160

>  <CNC_ID> (3,722)
359343604

>  <transfer_container_id> (3,722)
PTN000000068

>  <COMPOUND_NUMBER> (3,722)
WAY-297160

>  <LOCATION_CODE> (3,722)
PTNCS

>  <AMOUNT_CURRENT> (3,722)
33.1

$$$$
WAY-297330
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,723)
3727

>  <Formula> (3,723)
C14H11NO4

>  <MolWeight> (3,723)
257.24144

>  <PCAT_CMPD_ID> (3,723)
WAY-297330

>  <CNC_ID> (3,723)
359343774

>  <transfer_container_id> (3,723)
PTN000000068

>  <COMPOUND_NUMBER> (3,723)
WAY-297330

>  <LOCATION_CODE> (3,723)
PTNCS

>  <AMOUNT_CURRENT> (3,723)
33.3

$$$$
WAY-646020
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,724)
3728

>  <Formula> (3,724)
C18H18N2O3

>  <MolWeight> (3,724)
310.34712

>  <PCAT_CMPD_ID> (3,724)
WAY-646020

>  <CNC_ID> (3,724)
359338693

>  <transfer_container_id> (3,724)
PTN000000067

>  <COMPOUND_NUMBER> (3,724)
WAY-646020

>  <LOCATION_CODE> (3,724)
PTNCS

>  <AMOUNT_CURRENT> (3,724)
32.3

$$$$
WAY-278087
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,725)
3729

>  <Formula> (3,725)
C25H24N2O3

>  <MolWeight> (3,725)
400.46966

>  <PCAT_CMPD_ID> (3,725)
WAY-278087

>  <CNC_ID> (3,725)
359342632

>  <transfer_container_id> (3,725)
PTN000000068

>  <COMPOUND_NUMBER> (3,725)
WAY-278087

>  <LOCATION_CODE> (3,725)
PTNCS

>  <AMOUNT_CURRENT> (3,725)
32.5

$$$$
WAY-631001
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,726)
3730

>  <Formula> (3,726)
C18H19N3S2

>  <MolWeight> (3,726)
341.49356

>  <PCAT_CMPD_ID> (3,726)
WAY-631001

>  <CNC_ID> (3,726)
359363520

>  <transfer_container_id> (3,726)
PTN000000069

>  <COMPOUND_NUMBER> (3,726)
WAY-631001

>  <LOCATION_CODE> (3,726)
PTNCS

>  <AMOUNT_CURRENT> (3,726)
32.7

$$$$
WAY-650554
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,727)
3731

>  <Formula> (3,727)
C19H16Cl2N2OS

>  <MolWeight> (3,727)
391.31414

>  <PCAT_CMPD_ID> (3,727)
WAY-650554

>  <CNC_ID> (3,727)
359366261

>  <transfer_container_id> (3,727)
PTN000000069

>  <COMPOUND_NUMBER> (3,727)
WAY-650554

>  <LOCATION_CODE> (3,727)
PTNCS

>  <AMOUNT_CURRENT> (3,727)
32.7

$$$$
WAY-652978-A
csChFnd80/10101909502D

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 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
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 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15 14  1  0  0  0  0
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  3  2  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,728)
3732

>  <Formula> (3,728)
C14H18N2O

>  <MolWeight> (3,728)
230.30552

>  <PCAT_CMPD_ID> (3,728)
WAY-652978

>  <CNC_ID> (3,728)
359379858

>  <transfer_container_id> (3,728)
PTN000000070

>  <COMPOUND_NUMBER> (3,728)
WAY-652978

>  <LOCATION_CODE> (3,728)
PTNCS

>  <AMOUNT_CURRENT> (3,728)
32.8

$$$$
WAY-237809
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
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 14  6  2  0  0  0  0
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  4  3  1  0  0  0  0
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 15 17  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,729)
3733

>  <Formula> (3,729)
C21H19NO3S

>  <MolWeight> (3,729)
365.44546

>  <PCAT_CMPD_ID> (3,729)
WAY-237809

>  <CNC_ID> (3,729)
359380885

>  <transfer_container_id> (3,729)
PTN000000071

>  <COMPOUND_NUMBER> (3,729)
WAY-237809

>  <LOCATION_CODE> (3,729)
PTNCS

>  <AMOUNT_CURRENT> (3,729)
32.7

$$$$
CL-418164
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,730)
3734

>  <Formula> (3,730)
C13H16N2O2S2

>  <MolWeight> (3,730)
296.40834

>  <PCAT_CMPD_ID> (3,730)
CL-418164

>  <CNC_ID> (3,730)
359313620

>  <transfer_container_id> (3,730)
PTN000000065

>  <COMPOUND_NUMBER> (3,730)
CL-418164

>  <LOCATION_CODE> (3,730)
PTNCS

>  <AMOUNT_CURRENT> (3,730)
33.7

$$$$
WAY-312230
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,731)
3735

>  <Formula> (3,731)
C15H13N3O2S

>  <MolWeight> (3,731)
299.34762

>  <PCAT_CMPD_ID> (3,731)
WAY-312230

>  <CNC_ID> (3,731)
359315970

>  <transfer_container_id> (3,731)
PTN000000065

>  <COMPOUND_NUMBER> (3,731)
WAY-312230

>  <LOCATION_CODE> (3,731)
PTNCS

>  <AMOUNT_CURRENT> (3,731)
33.2

$$$$
WAY-312336
csChFnd80/10101909502D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,732)
3736

>  <Formula> (3,732)
C11H17F3N2O3

>  <MolWeight> (3,732)
282.2594896

>  <PCAT_CMPD_ID> (3,732)
WAY-312336

>  <CNC_ID> (3,732)
359316076

>  <transfer_container_id> (3,732)
PTN000000065

>  <COMPOUND_NUMBER> (3,732)
WAY-312336

>  <LOCATION_CODE> (3,732)
PTNCS

>  <AMOUNT_CURRENT> (3,732)
33.5

$$$$
WAY-344923
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  4  3  2  0  0  0  0
  5 11  1  0  0  0  0
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  8  6  1  0  0  0  0
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 10  8  2  0  0  0  0
 11 17  2  0  0  0  0
 12  5  2  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  2  0  0  0  0
 16  8  1  0  0  0  0
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 22  3  1  0  0  0  0
 23  7  1  0  0  0  0
 24 20  1  0  0  0  0
  7  4  1  0  0  0  0
 11 18  1  0  0  0  0
 20 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,733)
3737

>  <Formula> (3,733)
C19H18BrN3O

>  <MolWeight> (3,733)
384.26972

>  <PCAT_CMPD_ID> (3,733)
WAY-344923

>  <CNC_ID> (3,733)
359320234

>  <transfer_container_id> (3,733)
PTN000000065

>  <COMPOUND_NUMBER> (3,733)
WAY-344923

>  <LOCATION_CODE> (3,733)
PTNCS

>  <AMOUNT_CURRENT> (3,733)
32.9

$$$$
WAY-344180
csChFnd80/10101909502D

 34 38  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  4  1  0  0  0  0
 11 14  1  0  0  0  0
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 15  2  1  0  0  0  0
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 17 10  1  0  0  0  0
 18  8  2  0  0  0  0
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 23  9  2  0  0  0  0
 24  9  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 31  1  0  0  0  0
  5  3  1  0  0  0  0
 31 28  2  0  0  0  0
 32 30  1  0  0  0  0
  7 14  2  0  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,734)
3738

>  <Formula> (3,734)
C26H22N4O3S

>  <MolWeight> (3,734)
470.54288

>  <PCAT_CMPD_ID> (3,734)
WAY-344180

>  <CNC_ID> (3,734)
359319516

>  <transfer_container_id> (3,734)
PTN000000065

>  <COMPOUND_NUMBER> (3,734)
WAY-344180

>  <LOCATION_CODE> (3,734)
PTNCS

>  <AMOUNT_CURRENT> (3,734)
32.8

$$$$
WAY-345259
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  7  1  0  0  0  0
  5  4  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  2  0  0  0  0
 18  8  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 17 15  1  0  0  0  0
 10 12  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,735)
3739

>  <Formula> (3,735)
C17H23NO3

>  <MolWeight> (3,735)
289.36942

>  <PCAT_CMPD_ID> (3,735)
WAY-345259

>  <CNC_ID> (3,735)
359320551

>  <transfer_container_id> (3,735)
PTN000000065

>  <COMPOUND_NUMBER> (3,735)
WAY-345259

>  <LOCATION_CODE> (3,735)
PTNCS

>  <AMOUNT_CURRENT> (3,735)
29.7

$$$$
WAY-311272
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  7 12  1  0  0  0  0
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 19 21  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (3,736)
3740

>  <Formula> (3,736)
C22H23N5O4

>  <MolWeight> (3,736)
421.44912

>  <PCAT_CMPD_ID> (3,736)
WAY-311272

>  <CNC_ID> (3,736)
359315013

>  <transfer_container_id> (3,736)
PTN000000065

>  <COMPOUND_NUMBER> (3,736)
WAY-311272

>  <LOCATION_CODE> (3,736)
PTNCS

>  <AMOUNT_CURRENT> (3,736)
33.8

$$$$
WAY-311834
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 17 20  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,737)
3741

>  <Formula> (3,737)
C19H19FN2O4S

>  <MolWeight> (3,737)
390.4285632

>  <PCAT_CMPD_ID> (3,737)
WAY-311834

>  <CNC_ID> (3,737)
359315575

>  <transfer_container_id> (3,737)
PTN000000065

>  <COMPOUND_NUMBER> (3,737)
WAY-311834

>  <LOCATION_CODE> (3,737)
PTNCS

>  <AMOUNT_CURRENT> (3,737)
33.8

$$$$
WAY-311047
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,738)
3742

>  <Formula> (3,738)
C10H9N3O

>  <MolWeight> (3,738)
187.19796

>  <PCAT_CMPD_ID> (3,738)
WAY-311047

>  <CNC_ID> (3,738)
359314789

>  <transfer_container_id> (3,738)
PTN000000065

>  <COMPOUND_NUMBER> (3,738)
WAY-311047

>  <LOCATION_CODE> (3,738)
PTNCS

>  <AMOUNT_CURRENT> (3,738)
33.7

$$$$
WAY-311647
csChFnd80/10101909502D

 14 16  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,739)
3743

>  <Formula> (3,739)
C12H8OS

>  <MolWeight> (3,739)
200.25632

>  <PCAT_CMPD_ID> (3,739)
WAY-311647

>  <CNC_ID> (3,739)
359315388

>  <transfer_container_id> (3,739)
PTN000000065

>  <COMPOUND_NUMBER> (3,739)
WAY-311647

>  <LOCATION_CODE> (3,739)
PTNCS

>  <AMOUNT_CURRENT> (3,739)
33.1

$$$$
WAY-345611
csChFnd80/10101909502D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12 17  1  0  0  0  0
 13 10  1  0  0  0  0
 14  9  1  0  0  0  0
 15  6  2  0  0  0  0
 16  6  1  0  0  0  0
 17  4  1  0  0  0  0
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 22  5  2  0  0  0  0
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 14  3  1  0  0  0  0
 27 29  1  0  0  0  0
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M  END
>  <Mol_ID> (3,740)
3744

>  <Formula> (3,740)
C19H18F2N2O5S

>  <MolWeight> (3,740)
424.4184264

>  <PCAT_CMPD_ID> (3,740)
WAY-345611

>  <CNC_ID> (3,740)
359320868

>  <transfer_container_id> (3,740)
PTN000000065

>  <COMPOUND_NUMBER> (3,740)
WAY-345611

>  <LOCATION_CODE> (3,740)
PTNCS

>  <AMOUNT_CURRENT> (3,740)
32.1

$$$$
WAY-345399
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  7  2  0  0  0  0
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 14  6  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
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 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
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 10 12  2  0  0  0  0
  9 18  1  0  0  0  0
 22 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,741)
3745

>  <Formula> (3,741)
C18H18ClNO2

>  <MolWeight> (3,741)
315.79402

>  <PCAT_CMPD_ID> (3,741)
WAY-345399

>  <CNC_ID> (3,741)
359320669

>  <transfer_container_id> (3,741)
PTN000000065

>  <COMPOUND_NUMBER> (3,741)
WAY-345399

>  <LOCATION_CODE> (3,741)
PTNCS

>  <AMOUNT_CURRENT> (3,741)
32.6

$$$$
WAY-223438
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,742)
3746

>  <Formula> (3,742)
C15H10O4

>  <MolWeight> (3,742)
254.2375

>  <PCAT_CMPD_ID> (3,742)
WAY-223438

>  <CNC_ID> (3,742)
359313837

>  <transfer_container_id> (3,742)
PTN000000065

>  <COMPOUND_NUMBER> (3,742)
WAY-223438

>  <LOCATION_CODE> (3,742)
PTNCS

>  <AMOUNT_CURRENT> (3,742)
33.1

$$$$
WAY-345447
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
   12.1292  -13.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3667  -13.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4500  -12.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5167  -14.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8292   -8.6792    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  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 10  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
  6  9  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,743)
3747

>  <Formula> (3,743)
C14H15NOS

>  <MolWeight> (3,743)
245.34

>  <PCAT_CMPD_ID> (3,743)
WAY-345447

>  <CNC_ID> (3,743)
359320716

>  <transfer_container_id> (3,743)
PTN000000065

>  <COMPOUND_NUMBER> (3,743)
WAY-345447

>  <LOCATION_CODE> (3,743)
PTNCS

>  <AMOUNT_CURRENT> (3,743)
32.7

$$$$
WAY-345591
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  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  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11 14  2  0  0  0  0
 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 17  2  0  0  0  0
 16  9  2  0  0  0  0
 17 19  1  0  0  0  0
 18  9  1  0  0  0  0
 19 13  2  0  0  0  0
 20 11  1  0  0  0  0
 21 15  1  0  0  0  0
 22  8  2  0  0  0  0
 23  6  2  0  0  0  0
 24 21  1  0  0  0  0
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 26 23  1  0  0  0  0
 10 12  1  0  0  0  0
  8  4  1  0  0  0  0
 22 25  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,744)
3748

>  <Formula> (3,744)
C21H17NO4

>  <MolWeight> (3,744)
347.36398

>  <PCAT_CMPD_ID> (3,744)
WAY-345591

>  <CNC_ID> (3,744)
359320848

>  <transfer_container_id> (3,744)
PTN000000065

>  <COMPOUND_NUMBER> (3,744)
WAY-345591

>  <LOCATION_CODE> (3,744)
PTNCS

>  <AMOUNT_CURRENT> (3,744)
21.7

$$$$
WAY-312554-A
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 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  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,745)
3749

>  <Formula> (3,745)
C14H18F3N3O

>  <MolWeight> (3,745)
301.3074296

>  <PCAT_CMPD_ID> (3,745)
WAY-312554-A

>  <CNC_ID> (3,745)
359316293

>  <transfer_container_id> (3,745)
PTN000000065

>  <COMPOUND_NUMBER> (3,745)
WAY-312554-A

>  <LOCATION_CODE> (3,745)
PTNCS

>  <AMOUNT_CURRENT> (3,745)
33.9

$$$$
WAY-343709
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  1  2  0  0  0  0
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 13 15  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17  5  2  0  0  0  0
 18 14  1  0  0  0  0
 19  6  2  0  0  0  0
 20  8  2  0  0  0  0
 21 14  2  0  0  0  0
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  3  4  2  0  0  0  0
 19 24  1  0  0  0  0
 13  7  1  0  0  0  0
 27 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,746)
3750

>  <Formula> (3,746)
C21H24N4O2

>  <MolWeight> (3,746)
364.44086

>  <PCAT_CMPD_ID> (3,746)
WAY-343709

>  <CNC_ID> (3,746)
359319051

>  <transfer_container_id> (3,746)
PTN000000065

>  <COMPOUND_NUMBER> (3,746)
WAY-343709

>  <LOCATION_CODE> (3,746)
PTNCS

>  <AMOUNT_CURRENT> (3,746)
32.4

$$$$
WAY-310569
csChFnd80/10101909502D

 33 34  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (3,747)
3751

>  <Formula> (3,747)
C24H33ClN4O4

>  <MolWeight> (3,747)
476.99622

>  <PCAT_CMPD_ID> (3,747)
WAY-310569

>  <CNC_ID> (3,747)
359314310

>  <transfer_container_id> (3,747)
PTN000000065

>  <COMPOUND_NUMBER> (3,747)
WAY-310569

>  <LOCATION_CODE> (3,747)
PTNCS

>  <AMOUNT_CURRENT> (3,747)
33.3

$$$$
WAY-312260
csChFnd80/10101909502D

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 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,748)
3752

>  <Formula> (3,748)
C14H15ClN2O3

>  <MolWeight> (3,748)
294.7335

>  <PCAT_CMPD_ID> (3,748)
WAY-312260

>  <CNC_ID> (3,748)
359316000

>  <transfer_container_id> (3,748)
PTN000000065

>  <COMPOUND_NUMBER> (3,748)
WAY-312260

>  <LOCATION_CODE> (3,748)
PTNCS

>  <AMOUNT_CURRENT> (3,748)
33.2

$$$$
WAY-343736
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,749)
3753

>  <Formula> (3,749)
C19H20FN3O4

>  <MolWeight> (3,749)
373.3782032

>  <PCAT_CMPD_ID> (3,749)
WAY-343736

>  <CNC_ID> (3,749)
359319077

>  <transfer_container_id> (3,749)
PTN000000065

>  <COMPOUND_NUMBER> (3,749)
WAY-343736

>  <LOCATION_CODE> (3,749)
PTNCS

>  <AMOUNT_CURRENT> (3,749)
32.7

$$$$
WAY-310836
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,750)
3754

>  <Formula> (3,750)
C10H11N5O

>  <MolWeight> (3,750)
217.22724

>  <PCAT_CMPD_ID> (3,750)
WAY-310836

>  <CNC_ID> (3,750)
359314578

>  <transfer_container_id> (3,750)
PTN000000065

>  <COMPOUND_NUMBER> (3,750)
WAY-310836

>  <LOCATION_CODE> (3,750)
PTNCS

>  <AMOUNT_CURRENT> (3,750)
33.6

$$$$
WAY-312521
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,751)
3755

>  <Formula> (3,751)
C13H14ClN3O

>  <MolWeight> (3,751)
263.72276

>  <PCAT_CMPD_ID> (3,751)
WAY-312521

>  <CNC_ID> (3,751)
359316260

>  <transfer_container_id> (3,751)
PTN000000065

>  <COMPOUND_NUMBER> (3,751)
WAY-312521

>  <LOCATION_CODE> (3,751)
PTNCS

>  <AMOUNT_CURRENT> (3,751)
33.3

$$$$
WAY-216779
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,752)
3756

>  <Formula> (3,752)
C17H15FN2O2

>  <MolWeight> (3,752)
298.3116032

>  <PCAT_CMPD_ID> (3,752)
WAY-216779

>  <CNC_ID> (3,752)
359313793

>  <transfer_container_id> (3,752)
PTN000000065

>  <COMPOUND_NUMBER> (3,752)
WAY-216779

>  <LOCATION_CODE> (3,752)
PTNCS

>  <AMOUNT_CURRENT> (3,752)
33.4

$$$$
WAY-112309
csChFnd80/10101909502D

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 10  9  1  0  0  0  0
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 13  6  1  0  0  0  0
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 10  5  2  0  0  0  0
  8  4  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,753)
3757

>  <Formula> (3,753)
C14H13N3

>  <MolWeight> (3,753)
223.27312

>  <PCAT_CMPD_ID> (3,753)
WAY-112309

>  <CNC_ID> (3,753)
359326811

>  <transfer_container_id> (3,753)
PTN000000067

>  <COMPOUND_NUMBER> (3,753)
WAY-112309

>  <LOCATION_CODE> (3,753)
PTNCS

>  <AMOUNT_CURRENT> (3,753)
33.3

$$$$
WAY-345507
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  1  0  0  0  0
 13 15  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17  5  1  0  0  0  0
 18  6  1  0  0  0  0
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  6  5  2  0  0  0  0
 19 20  1  0  0  0  0
 13 10  2  0  0  0  0
M  END
>  <Mol_ID> (3,754)
3758

>  <Formula> (3,754)
C15H13BrFNOS

>  <MolWeight> (3,754)
354.2372232

>  <PCAT_CMPD_ID> (3,754)
WAY-345507

>  <CNC_ID> (3,754)
359320776

>  <transfer_container_id> (3,754)
PTN000000065

>  <COMPOUND_NUMBER> (3,754)
WAY-345507

>  <LOCATION_CODE> (3,754)
PTNCS

>  <AMOUNT_CURRENT> (3,754)
32.6

$$$$
WAY-345030
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  7  2  0  0  0  0
 12  8  1  0  0  0  0
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 14 21  2  0  0  0  0
 15 14  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
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  5  4  2  0  0  0  0
 22 16  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,755)
3759

>  <Formula> (3,755)
C16H14FNO3S

>  <MolWeight> (3,755)
319.3506632

>  <PCAT_CMPD_ID> (3,755)
WAY-345030

>  <CNC_ID> (3,755)
359320340

>  <transfer_container_id> (3,755)
PTN000000065

>  <COMPOUND_NUMBER> (3,755)
WAY-345030

>  <LOCATION_CODE> (3,755)
PTNCS

>  <AMOUNT_CURRENT> (3,755)
23.77

$$$$
WAY-345018
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  8  1  0  0  0  0
 17 13  2  0  0  0  0
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 23 21  1  0  0  0  0
  5  4  2  0  0  0  0
 20 19  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,756)
3760

>  <Formula> (3,756)
C18H19NO3S

>  <MolWeight> (3,756)
329.41336

>  <PCAT_CMPD_ID> (3,756)
WAY-345018

>  <CNC_ID> (3,756)
359320328

>  <transfer_container_id> (3,756)
PTN000000065

>  <COMPOUND_NUMBER> (3,756)
WAY-345018

>  <LOCATION_CODE> (3,756)
PTNCS

>  <AMOUNT_CURRENT> (3,756)
32.9

$$$$
WAY-344140
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14 17  1  0  0  0  0
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 16  6  2  0  0  0  0
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 21  1  1  0  0  0  0
 22  9  1  0  0  0  0
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 24 15  1  0  0  0  0
  3  5  1  0  0  0  0
 18 19  2  0  0  0  0
 15 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,757)
3761

>  <Formula> (3,757)
C18H19N3OS2

>  <MolWeight> (3,757)
357.49296

>  <PCAT_CMPD_ID> (3,757)
WAY-344140

>  <CNC_ID> (3,757)
359319476

>  <transfer_container_id> (3,757)
PTN000000065

>  <COMPOUND_NUMBER> (3,757)
WAY-344140

>  <LOCATION_CODE> (3,757)
PTNCS

>  <AMOUNT_CURRENT> (3,757)
32.7

$$$$
WAY-296789
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,758)
3762

>  <Formula> (3,758)
C19H18ClNO6S

>  <MolWeight> (3,758)
423.86732

>  <PCAT_CMPD_ID> (3,758)
WAY-296789

>  <CNC_ID> (3,758)
359343233

>  <transfer_container_id> (3,758)
PTN000000068

>  <COMPOUND_NUMBER> (3,758)
WAY-296789

>  <LOCATION_CODE> (3,758)
PTNCS

>  <AMOUNT_CURRENT> (3,758)
33.1

$$$$
WAY-297754
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,759)
3763

>  <Formula> (3,759)
C15H11ClN2S

>  <MolWeight> (3,759)
286.77924

>  <PCAT_CMPD_ID> (3,759)
WAY-297754

>  <CNC_ID> (3,759)
359344198

>  <transfer_container_id> (3,759)
PTN000000068

>  <COMPOUND_NUMBER> (3,759)
WAY-297754

>  <LOCATION_CODE> (3,759)
PTNCS

>  <AMOUNT_CURRENT> (3,759)
33.2

$$$$
CL-401135
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,760)
3764

>  <Formula> (3,760)
C18H16N4O2S

>  <MolWeight> (3,760)
352.41024

>  <PCAT_CMPD_ID> (3,760)
CL-401135

>  <CNC_ID> (3,760)
359353740

>  <transfer_container_id> (3,760)
PTN000000069

>  <COMPOUND_NUMBER> (3,760)
CL-401135

>  <LOCATION_CODE> (3,760)
PTNCS

>  <AMOUNT_CURRENT> (3,760)
33.4

$$$$
CL-431851
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,761)
3765

>  <Formula> (3,761)
C15H20O2

>  <MolWeight> (3,761)
232.3181

>  <PCAT_CMPD_ID> (3,761)
CL-431851

>  <CNC_ID> (3,761)
359353812

>  <transfer_container_id> (3,761)
PTN000000069

>  <COMPOUND_NUMBER> (3,761)
CL-431851

>  <LOCATION_CODE> (3,761)
PTNCS

>  <AMOUNT_CURRENT> (3,761)
33.5

$$$$
WAY-115766
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,762)
3766

>  <Formula> (3,762)
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>  <MolWeight> (3,762)
256.70866

>  <PCAT_CMPD_ID> (3,762)
WAY-115766

>  <CNC_ID> (3,762)
359353917

>  <transfer_container_id> (3,762)
PTN000000069

>  <COMPOUND_NUMBER> (3,762)
WAY-115766

>  <LOCATION_CODE> (3,762)
PTNCS

>  <AMOUNT_CURRENT> (3,762)
33.3

$$$$
WAY-297999
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,763)
3767

>  <Formula> (3,763)
C13H13FN2

>  <MolWeight> (3,763)
216.2541232

>  <PCAT_CMPD_ID> (3,763)
WAY-297999

>  <CNC_ID> (3,763)
359356993

>  <transfer_container_id> (3,763)
PTN000000069

>  <COMPOUND_NUMBER> (3,763)
WAY-297999

>  <LOCATION_CODE> (3,763)
PTNCS

>  <AMOUNT_CURRENT> (3,763)
33.2

$$$$
WAY-298191
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,764)
3768

>  <Formula> (3,764)
C16H13BrClN3

>  <MolWeight> (3,764)
362.65152

>  <PCAT_CMPD_ID> (3,764)
WAY-298191

>  <CNC_ID> (3,764)
359357185

>  <transfer_container_id> (3,764)
PTN000000069

>  <COMPOUND_NUMBER> (3,764)
WAY-298191

>  <LOCATION_CODE> (3,764)
PTNCS

>  <AMOUNT_CURRENT> (3,764)
33.5

$$$$
WAY-298316
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,765)
3769

>  <Formula> (3,765)
C16H17N3O

>  <MolWeight> (3,765)
267.32568

>  <PCAT_CMPD_ID> (3,765)
WAY-298316

>  <CNC_ID> (3,765)
359357310

>  <transfer_container_id> (3,765)
PTN000000069

>  <COMPOUND_NUMBER> (3,765)
WAY-298316

>  <LOCATION_CODE> (3,765)
PTNCS

>  <AMOUNT_CURRENT> (3,765)
33.1

$$$$
WAY-299145
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,766)
3770

>  <Formula> (3,766)
C23H17N3O5

>  <MolWeight> (3,766)
415.39818

>  <PCAT_CMPD_ID> (3,766)
WAY-299145

>  <CNC_ID> (3,766)
359358139

>  <transfer_container_id> (3,766)
PTN000000069

>  <COMPOUND_NUMBER> (3,766)
WAY-299145

>  <LOCATION_CODE> (3,766)
PTNCS

>  <AMOUNT_CURRENT> (3,766)
33.3

$$$$
WAY-299285
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,767)
3771

>  <Formula> (3,767)
C22H26O3S

>  <MolWeight> (3,767)
370.50504

>  <PCAT_CMPD_ID> (3,767)
WAY-299285

>  <CNC_ID> (3,767)
359358279

>  <transfer_container_id> (3,767)
PTN000000069

>  <COMPOUND_NUMBER> (3,767)
WAY-299285

>  <LOCATION_CODE> (3,767)
PTNCS

>  <AMOUNT_CURRENT> (3,767)
33.2

$$$$
WAY-382582
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,768)
3772

>  <Formula> (3,768)
C11H10N2O2S

>  <MolWeight> (3,768)
234.2743

>  <PCAT_CMPD_ID> (3,768)
WAY-382582

>  <CNC_ID> (3,768)
359360744

>  <transfer_container_id> (3,768)
PTN000000069

>  <COMPOUND_NUMBER> (3,768)
WAY-382582

>  <LOCATION_CODE> (3,768)
PTNCS

>  <AMOUNT_CURRENT> (3,768)
32.2

$$$$
WAY-382602
csChFnd80/10101909502D

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 16  7  1  0  0  0  0
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  3  5  1  0  0  0  0
 24 17  2  0  0  0  0
 20 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,769)
3773

>  <Formula> (3,769)
C19H17NO4

>  <MolWeight> (3,769)
323.34258

>  <PCAT_CMPD_ID> (3,769)
WAY-382602

>  <CNC_ID> (3,769)
359360763

>  <transfer_container_id> (3,769)
PTN000000069

>  <COMPOUND_NUMBER> (3,769)
WAY-382602

>  <LOCATION_CODE> (3,769)
PTNCS

>  <AMOUNT_CURRENT> (3,769)
32.8

$$$$
WAY-382670
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
 18 19  1  0  0  0  0
 11  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,770)
3774

>  <Formula> (3,770)
C16H19N3O

>  <MolWeight> (3,770)
269.34156

>  <PCAT_CMPD_ID> (3,770)
WAY-382670

>  <CNC_ID> (3,770)
359360831

>  <transfer_container_id> (3,770)
PTN000000069

>  <COMPOUND_NUMBER> (3,770)
WAY-382670

>  <LOCATION_CODE> (3,770)
PTNCS

>  <AMOUNT_CURRENT> (3,770)
32.5

$$$$
WAY-382685
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -0.3143   -0.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,771)
3775

>  <Formula> (3,771)
C13H14N2

>  <MolWeight> (3,771)
198.26366

>  <PCAT_CMPD_ID> (3,771)
WAY-382685

>  <CNC_ID> (3,771)
359360844

>  <transfer_container_id> (3,771)
PTN000000069

>  <COMPOUND_NUMBER> (3,771)
WAY-382685

>  <LOCATION_CODE> (3,771)
PTNCS

>  <AMOUNT_CURRENT> (3,771)
32.7

$$$$
WAY-382698
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,772)
3776

>  <Formula> (3,772)
C17H14N2O3

>  <MolWeight> (3,772)
294.30466

>  <PCAT_CMPD_ID> (3,772)
WAY-382698

>  <CNC_ID> (3,772)
359360857

>  <transfer_container_id> (3,772)
PTN000000069

>  <COMPOUND_NUMBER> (3,772)
WAY-382698

>  <LOCATION_CODE> (3,772)
PTNCS

>  <AMOUNT_CURRENT> (3,772)
27

$$$$
WAY-117246
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  5  6  2  0  0  0  0
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M  END
>  <Mol_ID> (3,773)
3777

>  <Formula> (3,773)
C13H12O3S

>  <MolWeight> (3,773)
248.29758

>  <PCAT_CMPD_ID> (3,773)
WAY-117246

>  <CNC_ID> (3,773)
359367621

>  <transfer_container_id> (3,773)
PTN000000070

>  <COMPOUND_NUMBER> (3,773)
WAY-117246

>  <LOCATION_CODE> (3,773)
PTNCS

>  <AMOUNT_CURRENT> (3,773)
33.1

$$$$
WAY-300624
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 12 17  1  0  0  0  0
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M  END
>  <Mol_ID> (3,774)
3778

>  <Formula> (3,774)
C17H22N2O2

>  <MolWeight> (3,774)
286.36878

>  <PCAT_CMPD_ID> (3,774)
WAY-300624

>  <CNC_ID> (3,774)
359371267

>  <transfer_container_id> (3,774)
PTN000000070

>  <COMPOUND_NUMBER> (3,774)
WAY-300624

>  <LOCATION_CODE> (3,774)
PTNCS

>  <AMOUNT_CURRENT> (3,774)
33.5

$$$$
WAY-301129
csChFnd80/10101909502D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,775)
3779

>  <Formula> (3,775)
C21H19ClN6

>  <MolWeight> (3,775)
390.86876

>  <PCAT_CMPD_ID> (3,775)
WAY-301129

>  <CNC_ID> (3,775)
359371468

>  <transfer_container_id> (3,775)
PTN000000070

>  <COMPOUND_NUMBER> (3,775)
WAY-301129

>  <LOCATION_CODE> (3,775)
PTNCS

>  <AMOUNT_CURRENT> (3,775)
33.4

$$$$
WAY-301327
csChFnd80/10101909502D

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 11  2  1  0  0  0  0
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M  END
>  <Mol_ID> (3,776)
3780

>  <Formula> (3,776)
C23H20N2O6

>  <MolWeight> (3,776)
420.4147

>  <PCAT_CMPD_ID> (3,776)
WAY-301327

>  <CNC_ID> (3,776)
359371666

>  <transfer_container_id> (3,776)
PTN000000070

>  <COMPOUND_NUMBER> (3,776)
WAY-301327

>  <LOCATION_CODE> (3,776)
PTNCS

>  <AMOUNT_CURRENT> (3,776)
33

$$$$
WAY-301359
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 15 18  2  0  0  0  0
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M  END
>  <Mol_ID> (3,777)
3781

>  <Formula> (3,777)
C17H14N2O2

>  <MolWeight> (3,777)
278.30526

>  <PCAT_CMPD_ID> (3,777)
WAY-301359

>  <CNC_ID> (3,777)
359371697

>  <transfer_container_id> (3,777)
PTN000000070

>  <COMPOUND_NUMBER> (3,777)
WAY-301359

>  <LOCATION_CODE> (3,777)
PTNCS

>  <AMOUNT_CURRENT> (3,777)
33.4

$$$$
WAY-388338
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,778)
3782

>  <Formula> (3,778)
C11H11N3OS2

>  <MolWeight> (3,778)
265.35454

>  <PCAT_CMPD_ID> (3,778)
WAY-388338

>  <CNC_ID> (3,778)
359372478

>  <transfer_container_id> (3,778)
PTN000000070

>  <COMPOUND_NUMBER> (3,778)
WAY-388338

>  <LOCATION_CODE> (3,778)
PTNCS

>  <AMOUNT_CURRENT> (3,778)
32.5

$$$$
WAY-388403
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,779)
3783

>  <Formula> (3,779)
C18H19BrN2O2

>  <MolWeight> (3,779)
375.25966

>  <PCAT_CMPD_ID> (3,779)
WAY-388403

>  <CNC_ID> (3,779)
359372543

>  <transfer_container_id> (3,779)
PTN000000070

>  <COMPOUND_NUMBER> (3,779)
WAY-388403

>  <LOCATION_CODE> (3,779)
PTNCS

>  <AMOUNT_CURRENT> (3,779)
32.9

$$$$
WAY-301867
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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 10  8  2  0  0  0  0
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M  END
>  <Mol_ID> (3,780)
3784

>  <Formula> (3,780)
C14H11F3N2O3

>  <MolWeight> (3,780)
312.2439496

>  <PCAT_CMPD_ID> (3,780)
WAY-301867

>  <CNC_ID> (3,780)
359382853

>  <transfer_container_id> (3,780)
PTN000000071

>  <COMPOUND_NUMBER> (3,780)
WAY-301867

>  <LOCATION_CODE> (3,780)
PTNCS

>  <AMOUNT_CURRENT> (3,780)
33.4

$$$$
WAY-302211
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 16 18  2  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,781)
3785

>  <Formula> (3,781)
C13H13N3O2

>  <MolWeight> (3,781)
243.26122

>  <PCAT_CMPD_ID> (3,781)
WAY-302211

>  <CNC_ID> (3,781)
359383197

>  <transfer_container_id> (3,781)
PTN000000071

>  <COMPOUND_NUMBER> (3,781)
WAY-302211

>  <LOCATION_CODE> (3,781)
PTNCS

>  <AMOUNT_CURRENT> (3,781)
33

$$$$
WAY-383283
csChFnd80/10101909502D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
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 14  5  1  0  0  0  0
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 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 12 17  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,782)
3786

>  <Formula> (3,782)
C18H22ClNO3

>  <MolWeight> (3,782)
335.82518

>  <PCAT_CMPD_ID> (3,782)
WAY-383283

>  <CNC_ID> (3,782)
359385451

>  <transfer_container_id> (3,782)
PTN000000071

>  <COMPOUND_NUMBER> (3,782)
WAY-383283

>  <LOCATION_CODE> (3,782)
PTNCS

>  <AMOUNT_CURRENT> (3,782)
32.7

$$$$
WAY-382888
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  3  1  0  0  0  0
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 13  7  2  0  0  0  0
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 15  9  2  0  0  0  0
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 16 21  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,783)
3787

>  <Formula> (3,783)
C23H21NO4

>  <MolWeight> (3,783)
375.41714

>  <PCAT_CMPD_ID> (3,783)
WAY-382888

>  <CNC_ID> (3,783)
359385146

>  <transfer_container_id> (3,783)
PTN000000071

>  <COMPOUND_NUMBER> (3,783)
WAY-382888

>  <LOCATION_CODE> (3,783)
PTNCS

>  <AMOUNT_CURRENT> (3,783)
32.3

$$$$
WAY-391662
csChFnd80/10101909502D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  6  2  0  0  0  0
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 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
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 13 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,784)
3788

>  <Formula> (3,784)
C9H8N2O2S

>  <MolWeight> (3,784)
208.23702

>  <PCAT_CMPD_ID> (3,784)
WAY-391662

>  <CNC_ID> (3,784)
359386980

>  <transfer_container_id> (3,784)
PTN000000071

>  <COMPOUND_NUMBER> (3,784)
WAY-391662

>  <LOCATION_CODE> (3,784)
PTNCS

>  <AMOUNT_CURRENT> (3,784)
26.3

$$$$
WAY-392221
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 30 25  2  0  0  0  0
  5  4  1  0  0  0  0
 15 18  1  0  0  0  0
 28 30  1  0  0  0  0
 26 29  2  0  0  0  0
M  END
>  <Mol_ID> (3,785)
3789

>  <Formula> (3,785)
C23H19N5O2

>  <MolWeight> (3,785)
397.42926

>  <PCAT_CMPD_ID> (3,785)
WAY-392221

>  <CNC_ID> (3,785)
359387504

>  <transfer_container_id> (3,785)
PTN000000071

>  <COMPOUND_NUMBER> (3,785)
WAY-392221

>  <LOCATION_CODE> (3,785)
PTNCS

>  <AMOUNT_CURRENT> (3,785)
32.4

$$$$
WAY-303368
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 13  4  2  0  0  0  0
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 13 11  1  0  0  0  0
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M  END
>  <Mol_ID> (3,786)
3790

>  <Formula> (3,786)
C22H19NO5

>  <MolWeight> (3,786)
377.38996

>  <PCAT_CMPD_ID> (3,786)
WAY-303368

>  <CNC_ID> (3,786)
359394548

>  <transfer_container_id> (3,786)
PTN000000072

>  <COMPOUND_NUMBER> (3,786)
WAY-303368

>  <LOCATION_CODE> (3,786)
PTNCS

>  <AMOUNT_CURRENT> (3,786)
33.8

$$$$
WAY-304152
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.2074    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,787)
3791

>  <Formula> (3,787)
C11H8ClNO2

>  <MolWeight> (3,787)
221.63972

>  <PCAT_CMPD_ID> (3,787)
WAY-304152

>  <CNC_ID> (3,787)
359395330

>  <transfer_container_id> (3,787)
PTN000000072

>  <COMPOUND_NUMBER> (3,787)
WAY-304152

>  <LOCATION_CODE> (3,787)
PTNCS

>  <AMOUNT_CURRENT> (3,787)
33.2

$$$$
WAY-305222-A
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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M  END
>  <Mol_ID> (3,788)
3792

>  <Formula> (3,788)
C16H23N5O

>  <MolWeight> (3,788)
301.38672

>  <PCAT_CMPD_ID> (3,788)
WAY-305222-A

>  <CNC_ID> (3,788)
359396398

>  <transfer_container_id> (3,788)
PTN000000072

>  <COMPOUND_NUMBER> (3,788)
WAY-305222-A

>  <LOCATION_CODE> (3,788)
PTNCS

>  <AMOUNT_CURRENT> (3,788)
33.1

$$$$
WAY-383601
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
  4  5  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,789)
3793

>  <Formula> (3,789)
C11H15NO4

>  <MolWeight> (3,789)
225.2411

>  <PCAT_CMPD_ID> (3,789)
WAY-383601

>  <CNC_ID> (3,789)
359399671

>  <transfer_container_id> (3,789)
PTN000000072

>  <COMPOUND_NUMBER> (3,789)
WAY-383601

>  <LOCATION_CODE> (3,789)
PTNCS

>  <AMOUNT_CURRENT> (3,789)
32.3

$$$$
WAY-384059
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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 14 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,790)
3794

>  <Formula> (3,790)
C19H13FN4O

>  <MolWeight> (3,790)
332.3311232

>  <PCAT_CMPD_ID> (3,790)
WAY-384059

>  <CNC_ID> (3,790)
359399561

>  <transfer_container_id> (3,790)
PTN000000072

>  <COMPOUND_NUMBER> (3,790)
WAY-384059

>  <LOCATION_CODE> (3,790)
PTNCS

>  <AMOUNT_CURRENT> (3,790)
32.9

$$$$
WAY-384808
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,791)
3795

>  <Formula> (3,791)
C15H10F3NO3S

>  <MolWeight> (3,791)
341.3050096

>  <PCAT_CMPD_ID> (3,791)
WAY-384808

>  <CNC_ID> (3,791)
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>  <transfer_container_id> (3,791)
PTN000000072

>  <COMPOUND_NUMBER> (3,791)
WAY-384808

>  <LOCATION_CODE> (3,791)
PTNCS

>  <AMOUNT_CURRENT> (3,791)
32.3

$$$$
WAY-385063
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,792)
3796

>  <Formula> (3,792)
C20H22F3NO4

>  <MolWeight> (3,792)
397.3881896

>  <PCAT_CMPD_ID> (3,792)
WAY-385063

>  <CNC_ID> (3,792)
359400992

>  <transfer_container_id> (3,792)
PTN000000072

>  <COMPOUND_NUMBER> (3,792)
WAY-385063

>  <LOCATION_CODE> (3,792)
PTNCS

>  <AMOUNT_CURRENT> (3,792)
32.1

$$$$
WAY-387973
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,793)
3797

>  <Formula> (3,793)
C14H10BrNOS

>  <MolWeight> (3,793)
320.2043

>  <PCAT_CMPD_ID> (3,793)
WAY-387973

>  <CNC_ID> (3,793)
359414028

>  <transfer_container_id> (3,793)
PTN000000073

>  <COMPOUND_NUMBER> (3,793)
WAY-387973

>  <LOCATION_CODE> (3,793)
PTNCS

>  <AMOUNT_CURRENT> (3,793)
29.3

$$$$
WAY-345699
csChFnd80/10101909502D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,794)
3798

>  <Formula> (3,794)
C12H14N4OS

>  <MolWeight> (3,794)
262.33076

>  <PCAT_CMPD_ID> (3,794)
WAY-345699

>  <CNC_ID> (3,794)
359433631

>  <transfer_container_id> (3,794)
PTN000000075

>  <COMPOUND_NUMBER> (3,794)
WAY-345699

>  <LOCATION_CODE> (3,794)
PTNCS

>  <AMOUNT_CURRENT> (3,794)
32.2

$$$$
WAY-345873
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,795)
3799

>  <Formula> (3,795)
C22H28N2O4S

>  <MolWeight> (3,795)
416.53372

>  <PCAT_CMPD_ID> (3,795)
WAY-345873

>  <CNC_ID> (3,795)
359433795

>  <transfer_container_id> (3,795)
PTN000000075

>  <COMPOUND_NUMBER> (3,795)
WAY-345873

>  <LOCATION_CODE> (3,795)
PTNCS

>  <AMOUNT_CURRENT> (3,795)
32.3

$$$$
WAY-358521
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 14 13  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,796)
3800

>  <Formula> (3,796)
C19H18N2O4

>  <MolWeight> (3,796)
338.35722

>  <PCAT_CMPD_ID> (3,796)
WAY-358521

>  <CNC_ID> (3,796)
359446235

>  <transfer_container_id> (3,796)
PTN000000076

>  <COMPOUND_NUMBER> (3,796)
WAY-358521

>  <LOCATION_CODE> (3,796)
PTNCS

>  <AMOUNT_CURRENT> (3,796)
32.9

$$$$
WAY-358632
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  2  2  0  0  0  0
 12  1  1  0  0  0  0
 13  3  2  0  0  0  0
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 17 12  1  0  0  0  0
 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
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 21 20  1  0  0  0  0
 11 10  1  0  0  0  0
 14  8  1  0  0  0  0
  9  7  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,797)
3801

>  <Formula> (3,797)
C16H12O5

>  <MolWeight> (3,797)
284.26348

>  <PCAT_CMPD_ID> (3,797)
WAY-358632

>  <CNC_ID> (3,797)
359446344

>  <transfer_container_id> (3,797)
PTN000000076

>  <COMPOUND_NUMBER> (3,797)
WAY-358632

>  <LOCATION_CODE> (3,797)
PTNCS

>  <AMOUNT_CURRENT> (3,797)
32.4

$$$$
WAY-328972
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 22  2  0  0  0  0
 20  8  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23  9  1  0  0  0  0
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 25 15  1  0  0  0  0
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 28 26  1  0  0  0  0
  6  3  1  0  0  0  0
  9  8  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (3,798)
3802

>  <Formula> (3,798)
C20H22FN3O3S

>  <MolWeight> (3,798)
403.4703832

>  <PCAT_CMPD_ID> (3,798)
WAY-328972

>  <CNC_ID> (3,798)
359316337

>  <transfer_container_id> (3,798)
PTN000000065

>  <COMPOUND_NUMBER> (3,798)
WAY-328972

>  <LOCATION_CODE> (3,798)
PTNCS

>  <AMOUNT_CURRENT> (3,798)
32.5

$$$$
WAY-330079
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
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 18 15  1  0  0  0  0
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  5  7  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,799)
3803

>  <Formula> (3,799)
C12H10ClN3O2S

>  <MolWeight> (3,799)
295.7447

>  <PCAT_CMPD_ID> (3,799)
WAY-330079

>  <CNC_ID> (3,799)
359317444

>  <transfer_container_id> (3,799)
PTN000000065

>  <COMPOUND_NUMBER> (3,799)
WAY-330079

>  <LOCATION_CODE> (3,799)
PTNCS

>  <AMOUNT_CURRENT> (3,799)
32.5

$$$$
WAY-330726
csChFnd80/10101909502D

 30 32  0  0  0  0  0  0  0  0999 V2000
   12.7000   -8.5500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  2  0  0  0  0
 11  8  1  0  0  0  0
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 29  6  1  0  0  0  0
 30 22  1  0  0  0  0
  7  4  1  0  0  0  0
 21 22  2  0  0  0  0
 24 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,800)
3804

>  <Formula> (3,800)
C21H22ClN3O4S

>  <MolWeight> (3,800)
447.93508

>  <PCAT_CMPD_ID> (3,800)
WAY-330726

>  <CNC_ID> (3,800)
359318081

>  <transfer_container_id> (3,800)
PTN000000065

>  <COMPOUND_NUMBER> (3,800)
WAY-330726

>  <LOCATION_CODE> (3,800)
PTNCS

>  <AMOUNT_CURRENT> (3,800)
32.5

$$$$
WAY-332702
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.2500  -11.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  9  1  0  0  0  0
 14  9  2  0  0  0  0
 15  6  2  0  0  0  0
 16 10  2  0  0  0  0
 17  4  1  0  0  0  0
 18 14  1  0  0  0  0
 19 13  2  0  0  0  0
 20 18  2  0  0  0  0
 21  5  1  0  0  0  0
 22 14  1  0  0  0  0
 23 19  1  0  0  0  0
 24  7  1  0  0  0  0
 25 22  1  0  0  0  0
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 28 24  1  0  0  0  0
  3  4  1  0  0  0  0
 21 27  1  0  0  0  0
 16 12  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,801)
3805

>  <Formula> (3,801)
C22H21ClN2O3

>  <MolWeight> (3,801)
396.86674

>  <PCAT_CMPD_ID> (3,801)
WAY-332702

>  <CNC_ID> (3,801)
359331238

>  <transfer_container_id> (3,801)
PTN000000067

>  <COMPOUND_NUMBER> (3,801)
WAY-332702

>  <LOCATION_CODE> (3,801)
PTNCS

>  <AMOUNT_CURRENT> (3,801)
32.5

$$$$
WAY-642017
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2 15  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15 18  1  0  0  0  0
 16  7  2  0  0  0  0
 17 14  2  0  0  0  0
 18  5  1  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 17  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  8 12  1  0  0  0  0
 13 11  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,802)
3806

>  <Formula> (3,802)
C17H17N3OS3

>  <MolWeight> (3,802)
375.53138

>  <PCAT_CMPD_ID> (3,802)
WAY-642017

>  <CNC_ID> (3,802)
359323755

>  <transfer_container_id> (3,802)
PTN000000065

>  <COMPOUND_NUMBER> (3,802)
WAY-642017

>  <LOCATION_CODE> (3,802)
PTNCS

>  <AMOUNT_CURRENT> (3,802)
32.6

$$$$
WAY-330568
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  2  0  0  0  0
 16  6  2  0  0  0  0
 17 14  2  0  0  0  0
 18 12  1  0  0  0  0
 19 24  1  0  0  0  0
 20 14  1  0  0  0  0
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 22 18  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  1  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
  5  9  1  0  0  0  0
  8  7  1  0  0  0  0
 10 11  2  0  0  0  0
 19 25  2  0  0  0  0
M  END
>  <Mol_ID> (3,803)
3807

>  <Formula> (3,803)
C19H19FN2O5

>  <MolWeight> (3,803)
374.3629632

>  <PCAT_CMPD_ID> (3,803)
WAY-330568

>  <CNC_ID> (3,803)
359317923

>  <transfer_container_id> (3,803)
PTN000000065

>  <COMPOUND_NUMBER> (3,803)
WAY-330568

>  <LOCATION_CODE> (3,803)
PTNCS

>  <AMOUNT_CURRENT> (3,803)
32.5

$$$$
WAY-332385
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 10  8  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  2  0  0  0  0
 13  6  1  0  0  0  0
 14 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 21  1  0  0  0  0
 17 15  2  0  0  0  0
 18 26  1  0  0  0  0
 19 16  1  0  0  0  0
 20 22  1  0  0  0  0
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 25 10  1  0  0  0  0
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 27 15  1  0  0  0  0
  3  4  1  0  0  0  0
 20 16  2  0  0  0  0
 17 14  1  0  0  0  0
M  END
>  <Mol_ID> (3,804)
3808

>  <Formula> (3,804)
C20H22ClN5O

>  <MolWeight> (3,804)
383.87458

>  <PCAT_CMPD_ID> (3,804)
WAY-332385

>  <CNC_ID> (3,804)
359330921

>  <transfer_container_id> (3,804)
PTN000000067

>  <COMPOUND_NUMBER> (3,804)
WAY-332385

>  <LOCATION_CODE> (3,804)
PTNCS

>  <AMOUNT_CURRENT> (3,804)
32.5

$$$$
WAY-333715
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,805)
3809

>  <Formula> (3,805)
C19H23N5O4S

>  <MolWeight> (3,805)
417.48202

>  <PCAT_CMPD_ID> (3,805)
WAY-333715

>  <CNC_ID> (3,805)
359332248

>  <transfer_container_id> (3,805)
PTN000000067

>  <COMPOUND_NUMBER> (3,805)
WAY-333715

>  <LOCATION_CODE> (3,805)
PTNCS

>  <AMOUNT_CURRENT> (3,805)
32.5

$$$$
WAY-329481
csChFnd80/10101909502D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,806)
3810

>  <Formula> (3,806)
C25H25NO5

>  <MolWeight> (3,806)
419.4697

>  <PCAT_CMPD_ID> (3,806)
WAY-329481

>  <CNC_ID> (3,806)
359316849

>  <transfer_container_id> (3,806)
PTN000000065

>  <COMPOUND_NUMBER> (3,806)
WAY-329481

>  <LOCATION_CODE> (3,806)
PTNCS

>  <AMOUNT_CURRENT> (3,806)
32.5

$$$$
WAY-615987
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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M  END
>  <Mol_ID> (3,807)
3811

>  <Formula> (3,807)
C13H14ClNO2

>  <MolWeight> (3,807)
251.70876

>  <PCAT_CMPD_ID> (3,807)
WAY-615987

>  <CNC_ID> (3,807)
359321072

>  <transfer_container_id> (3,807)
PTN000000065

>  <COMPOUND_NUMBER> (3,807)
WAY-615987

>  <LOCATION_CODE> (3,807)
PTNCS

>  <AMOUNT_CURRENT> (3,807)
33

$$$$
WAY-624877
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11  8  2  0  0  0  0
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 14 16  2  0  0  0  0
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M  END
>  <Mol_ID> (3,808)
3812

>  <Formula> (3,808)
C16H18N2O3S

>  <MolWeight> (3,808)
318.39072

>  <PCAT_CMPD_ID> (3,808)
WAY-624877

>  <CNC_ID> (3,808)
359323298

>  <transfer_container_id> (3,808)
PTN000000065

>  <COMPOUND_NUMBER> (3,808)
WAY-624877

>  <LOCATION_CODE> (3,808)
PTNCS

>  <AMOUNT_CURRENT> (3,808)
32.2

$$$$
WAY-616785
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,809)
3813

>  <Formula> (3,809)
C17H29N3O2

>  <MolWeight> (3,809)
307.43106

>  <PCAT_CMPD_ID> (3,809)
WAY-616785

>  <CNC_ID> (3,809)
359321871

>  <transfer_container_id> (3,809)
PTN000000065

>  <COMPOUND_NUMBER> (3,809)
WAY-616785

>  <LOCATION_CODE> (3,809)
PTNCS

>  <AMOUNT_CURRENT> (3,809)
32.7

$$$$
WAY-332665
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  3  2  0  0  0  0
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 13  9  1  0  0  0  0
 14  2  1  0  0  0  0
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 18 12  2  0  0  0  0
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 23 19  2  0  0  0  0
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 25 18  1  0  0  0  0
 26 23  1  0  0  0  0
  4  6  1  0  0  0  0
 26 25  2  0  0  0  0
 24 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,810)
3814

>  <Formula> (3,810)
C17H17N5O3S

>  <MolWeight> (3,810)
371.41358

>  <PCAT_CMPD_ID> (3,810)
WAY-332665

>  <CNC_ID> (3,810)
359331201

>  <transfer_container_id> (3,810)
PTN000000067

>  <COMPOUND_NUMBER> (3,810)
WAY-332665

>  <LOCATION_CODE> (3,810)
PTNCS

>  <AMOUNT_CURRENT> (3,810)
32.5

$$$$
WAY-329111
csChFnd80/10101909502D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  5  4  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16 11  1  0  0  0  0
 17 11  2  0  0  0  0
 18 14  1  0  0  0  0
 19  8  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22  9  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
 25 19  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  1  0  0  0  0
  3  6  1  0  0  0  0
  9  8  2  0  0  0  0
 25 26  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,811)
3815

>  <Formula> (3,811)
C20H21N3O3S

>  <MolWeight> (3,811)
383.46404

>  <PCAT_CMPD_ID> (3,811)
WAY-329111

>  <CNC_ID> (3,811)
359316476

>  <transfer_container_id> (3,811)
PTN000000065

>  <COMPOUND_NUMBER> (3,811)
WAY-329111

>  <LOCATION_CODE> (3,811)
PTNCS

>  <AMOUNT_CURRENT> (3,811)
32.5

$$$$
WAY-331341
csChFnd80/10101909502D

 27 31  0  0  0  0  0  0  0  0999 V2000
   11.1000   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
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  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10 12  1  0  0  0  0
 11  7  2  0  0  0  0
 12 15  2  0  0  0  0
 13 11  1  0  0  0  0
 14 20  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18  6  2  0  0  0  0
 19 16  1  0  0  0  0
 20 22  2  0  0  0  0
 21 11  1  0  0  0  0
 22 15  1  0  0  0  0
 23 18  1  0  0  0  0
 24  6  1  0  0  0  0
 25 18  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
  4  5  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 25 27  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (3,812)
3816

>  <Formula> (3,812)
C20H14ClN3O3

>  <MolWeight> (3,812)
379.79646

>  <PCAT_CMPD_ID> (3,812)
WAY-331341

>  <CNC_ID> (3,812)
359318696

>  <transfer_container_id> (3,812)
PTN000000065

>  <COMPOUND_NUMBER> (3,812)
WAY-331341

>  <LOCATION_CODE> (3,812)
PTNCS

>  <AMOUNT_CURRENT> (3,812)
32.5

$$$$
WAY-330744
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
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 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12 20  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
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 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
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 22  9  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  1  0  0  0  0
  6  9  1  0  0  0  0
  3  5  1  0  0  0  0
 19 18  2  0  0  0  0
 12 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,813)
3817

>  <Formula> (3,813)
C16H21N5O2S

>  <MolWeight> (3,813)
347.43524

>  <PCAT_CMPD_ID> (3,813)
WAY-330744

>  <CNC_ID> (3,813)
359318099

>  <transfer_container_id> (3,813)
PTN000000065

>  <COMPOUND_NUMBER> (3,813)
WAY-330744

>  <LOCATION_CODE> (3,813)
PTNCS

>  <AMOUNT_CURRENT> (3,813)
32.5

$$$$
WAY-334773
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  4  2  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 14  8  1  0  0  0  0
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 19  7  2  0  0  0  0
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 22  9  2  0  0  0  0
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 29 22  1  0  0  0  0
  8  5  1  0  0  0  0
  7  9  1  0  0  0  0
 29 28  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,814)
3818

>  <Formula> (3,814)
C24H27N3OS

>  <MolWeight> (3,814)
405.55568

>  <PCAT_CMPD_ID> (3,814)
WAY-334773

>  <CNC_ID> (3,814)
359333303

>  <transfer_container_id> (3,814)
PTN000000067

>  <COMPOUND_NUMBER> (3,814)
WAY-334773

>  <LOCATION_CODE> (3,814)
PTNCS

>  <AMOUNT_CURRENT> (3,814)
32.5

$$$$
WAY-334952
csChFnd80/10101909502D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,815)
3819

>  <Formula> (3,815)
C24H20N4O2S2

>  <MolWeight> (3,815)
460.5712

>  <PCAT_CMPD_ID> (3,815)
WAY-334952

>  <CNC_ID> (3,815)
359333482

>  <transfer_container_id> (3,815)
PTN000000067

>  <COMPOUND_NUMBER> (3,815)
WAY-334952

>  <LOCATION_CODE> (3,815)
PTNCS

>  <AMOUNT_CURRENT> (3,815)
32.5

$$$$
WAY-335008
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,816)
3820

>  <Formula> (3,816)
C21H17Cl2N5O3S

>  <MolWeight> (3,816)
490.36238

>  <PCAT_CMPD_ID> (3,816)
WAY-335008

>  <CNC_ID> (3,816)
359333538

>  <transfer_container_id> (3,816)
PTN000000067

>  <COMPOUND_NUMBER> (3,816)
WAY-335008

>  <LOCATION_CODE> (3,816)
PTNCS

>  <AMOUNT_CURRENT> (3,816)
32.5

$$$$
WAY-335277
csChFnd80/10101909502D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,817)
3821

>  <Formula> (3,817)
C23H20ClN3O4

>  <MolWeight> (3,817)
437.8756

>  <PCAT_CMPD_ID> (3,817)
WAY-335277

>  <CNC_ID> (3,817)
359344538

>  <transfer_container_id> (3,817)
PTN000000068

>  <COMPOUND_NUMBER> (3,817)
WAY-335277

>  <LOCATION_CODE> (3,817)
PTNCS

>  <AMOUNT_CURRENT> (3,817)
32.5

$$$$
WAY-335541
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,818)
3822

>  <Formula> (3,818)
C24H20N2O2S

>  <MolWeight> (3,818)
400.4928

>  <PCAT_CMPD_ID> (3,818)
WAY-335541

>  <CNC_ID> (3,818)
359344801

>  <transfer_container_id> (3,818)
PTN000000068

>  <COMPOUND_NUMBER> (3,818)
WAY-335541

>  <LOCATION_CODE> (3,818)
PTNCS

>  <AMOUNT_CURRENT> (3,818)
32.5

$$$$
WAY-611973
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 15  7  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,819)
3823

>  <Formula> (3,819)
C16H26N2O4

>  <MolWeight> (3,819)
310.38864

>  <PCAT_CMPD_ID> (3,819)
WAY-611973

>  <CNC_ID> (3,819)
359347875

>  <transfer_container_id> (3,819)
PTN000000068

>  <COMPOUND_NUMBER> (3,819)
WAY-611973

>  <LOCATION_CODE> (3,819)
PTNCS

>  <AMOUNT_CURRENT> (3,819)
32.6

$$$$
WAY-629528-A
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
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 15 11  2  0  0  0  0
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 23 20  2  0  0  0  0
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 19 24  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,820)
3824

>  <Formula> (3,820)
C17H19N3O3S

>  <MolWeight> (3,820)
345.41606

>  <PCAT_CMPD_ID> (3,820)
WAY-629528-A

>  <CNC_ID> (3,820)
359350678

>  <transfer_container_id> (3,820)
PTN000000068

>  <COMPOUND_NUMBER> (3,820)
WAY-629528-A

>  <LOCATION_CODE> (3,820)
PTNCS

>  <AMOUNT_CURRENT> (3,820)
32.3

$$$$
WAY-338251
csChFnd80/10101909502D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 11  8  1  0  0  0  0
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M  END
>  <Mol_ID> (3,821)
3825

>  <Formula> (3,821)
C22H15F2N3O5S

>  <MolWeight> (3,821)
471.4334064

>  <PCAT_CMPD_ID> (3,821)
WAY-338251

>  <CNC_ID> (3,821)
359358868

>  <transfer_container_id> (3,821)
PTN000000069

>  <COMPOUND_NUMBER> (3,821)
WAY-338251

>  <LOCATION_CODE> (3,821)
PTNCS

>  <AMOUNT_CURRENT> (3,821)
32.5

$$$$
WAY-339334
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,822)
3826

>  <Formula> (3,822)
C25H22N2O5

>  <MolWeight> (3,822)
430.45258

>  <PCAT_CMPD_ID> (3,822)
WAY-339334

>  <CNC_ID> (3,822)
359359951

>  <transfer_container_id> (3,822)
PTN000000069

>  <COMPOUND_NUMBER> (3,822)
WAY-339334

>  <LOCATION_CODE> (3,822)
PTNCS

>  <AMOUNT_CURRENT> (3,822)
32.5

$$$$
WAY-649505
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  5  1  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  1  2  0  0  0  0
 11  5  2  0  0  0  0
 12  8  1  0  0  0  0
 13  4  2  0  0  0  0
 14  8  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 21  1  0  0  0  0
 18 11  1  0  0  0  0
 19  6  1  0  0  0  0
 20  6  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 26 23  2  0  0  0  0
 27 25  2  0  0  0  0
 15 16  2  0  0  0  0
 27 26  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,823)
3827

>  <Formula> (3,823)
C19H22N2O5S

>  <MolWeight> (3,823)
390.45338

>  <PCAT_CMPD_ID> (3,823)
WAY-649505

>  <CNC_ID> (3,823)
359365212

>  <transfer_container_id> (3,823)
PTN000000069

>  <COMPOUND_NUMBER> (3,823)
WAY-649505

>  <LOCATION_CODE> (3,823)
PTNCS

>  <AMOUNT_CURRENT> (3,823)
32.6

$$$$
WAY-649611
csChFnd80/10101909502D

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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  8 13  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
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 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
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,824)
3828

>  <Formula> (3,824)
C19H24N4O4

>  <MolWeight> (3,824)
372.41826

>  <PCAT_CMPD_ID> (3,824)
WAY-649611

>  <CNC_ID> (3,824)
359365318

>  <transfer_container_id> (3,824)
PTN000000069

>  <COMPOUND_NUMBER> (3,824)
WAY-649611

>  <LOCATION_CODE> (3,824)
PTNCS

>  <AMOUNT_CURRENT> (3,824)
32.2

$$$$
WAY-650532
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3 19  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  5  2  0  0  0  0
  7 13  1  0  0  0  0
  8  6  1  0  0  0  0
  9 15  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  2  1  0  0  0  0
 15 17  1  0  0  0  0
 16  2  2  0  0  0  0
 17  4  1  0  0  0  0
 18  1  1  0  0  0  0
 19 12  2  0  0  0  0
 20  9  2  0  0  0  0
 21 18  1  0  0  0  0
 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
 24 23  1  0  0  0  0
 21 17  1  0  0  0  0
  3  8  2  0  0  0  0
M  END
>  <Mol_ID> (3,825)
3829

>  <Formula> (3,825)
C14H18ClN3O5S

>  <MolWeight> (3,825)
375.82782

>  <PCAT_CMPD_ID> (3,825)
WAY-650532

>  <CNC_ID> (3,825)
359366239

>  <transfer_container_id> (3,825)
PTN000000069

>  <COMPOUND_NUMBER> (3,825)
WAY-650532

>  <LOCATION_CODE> (3,825)
PTNCS

>  <AMOUNT_CURRENT> (3,825)
32.8

$$$$
WAY-650537-A
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
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  8  5  2  0  0  0  0
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 10  3  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  4  1  0  0  0  0
 17  5  1  0  0  0  0
 18 17  2  0  0  0  0
 19  6  1  0  0  0  0
 20 18  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 12  4  1  0  0  0  0
 20 14  2  0  0  0  0
M  END
>  <Mol_ID> (3,826)
3830

>  <Formula> (3,826)
C17H26ClN3O

>  <MolWeight> (3,826)
323.86084

>  <PCAT_CMPD_ID> (3,826)
WAY-650537

>  <CNC_ID> (3,826)
359366244

>  <transfer_container_id> (3,826)
PTN000000069

>  <COMPOUND_NUMBER> (3,826)
WAY-650537

>  <LOCATION_CODE> (3,826)
PTNCS

>  <AMOUNT_CURRENT> (3,826)
32.7

$$$$
WAY-650847
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10 17  1  0  0  0  0
 12 18  2  0  0  0  0
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 15 20  2  0  0  0  0
 10 12  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,827)
3831

>  <Formula> (3,827)
C15H13N3O2

>  <MolWeight> (3,827)
267.28262

>  <PCAT_CMPD_ID> (3,827)
WAY-650847

>  <CNC_ID> (3,827)
359366554

>  <transfer_container_id> (3,827)
PTN000000069

>  <COMPOUND_NUMBER> (3,827)
WAY-650847

>  <LOCATION_CODE> (3,827)
PTNCS

>  <AMOUNT_CURRENT> (3,827)
32.9

$$$$
WAY-601070
csChFnd80/10101909502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,828)
3832

>  <Formula> (3,828)
C21H23ClN4O5S

>  <MolWeight> (3,828)
478.94912

>  <PCAT_CMPD_ID> (3,828)
WAY-601070

>  <CNC_ID> (3,828)
359374798

>  <transfer_container_id> (3,828)
PTN000000070

>  <COMPOUND_NUMBER> (3,828)
WAY-601070

>  <LOCATION_CODE> (3,828)
PTNCS

>  <AMOUNT_CURRENT> (3,828)
32

$$$$
WAY-651763
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  2  0  0  0  0
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M  END
>  <Mol_ID> (3,829)
3833

>  <Formula> (3,829)
C12H7F3O2

>  <MolWeight> (3,829)
240.1779896

>  <PCAT_CMPD_ID> (3,829)
WAY-651763

>  <CNC_ID> (3,829)
359378644

>  <transfer_container_id> (3,829)
PTN000000070

>  <COMPOUND_NUMBER> (3,829)
WAY-651763

>  <LOCATION_CODE> (3,829)
PTNCS

>  <AMOUNT_CURRENT> (3,829)
32.5

$$$$
WAY-320353
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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  6  9  1  0  0  0  0
 13 16  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,830)
3834

>  <Formula> (3,830)
C18H18N2O

>  <MolWeight> (3,830)
278.34832

>  <PCAT_CMPD_ID> (3,830)
WAY-320353

>  <CNC_ID> (3,830)
359384679

>  <transfer_container_id> (3,830)
PTN000000071

>  <COMPOUND_NUMBER> (3,830)
WAY-320353

>  <LOCATION_CODE> (3,830)
PTNCS

>  <AMOUNT_CURRENT> (3,830)
32.5

$$$$
WAY-655434
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 18  9  2  0  0  0  0
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 10  6  2  0  0  0  0
 22 21  1  0  0  0  0
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M  END
>  <Mol_ID> (3,831)
3835

>  <Formula> (3,831)
C17H14Cl2N2O5

>  <MolWeight> (3,831)
397.20946

>  <PCAT_CMPD_ID> (3,831)
WAY-655434

>  <CNC_ID> (3,831)
359393674

>  <transfer_container_id> (3,831)
PTN000000071

>  <COMPOUND_NUMBER> (3,831)
WAY-655434

>  <LOCATION_CODE> (3,831)
PTNCS

>  <AMOUNT_CURRENT> (3,831)
32.3

$$$$
WAY-321403
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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M  END
>  <Mol_ID> (3,832)
3836

>  <Formula> (3,832)
C20H19N3O2S

>  <MolWeight> (3,832)
365.44876

>  <PCAT_CMPD_ID> (3,832)
WAY-321403

>  <CNC_ID> (3,832)
359397527

>  <transfer_container_id> (3,832)
PTN000000072

>  <COMPOUND_NUMBER> (3,832)
WAY-321403

>  <LOCATION_CODE> (3,832)
PTNCS

>  <AMOUNT_CURRENT> (3,832)
32.5

$$$$
WAY-321848
csChFnd80/10101909502D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  7 10  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,833)
3837

>  <Formula> (3,833)
C12H13N3O

>  <MolWeight> (3,833)
215.25112

>  <PCAT_CMPD_ID> (3,833)
WAY-321848

>  <CNC_ID> (3,833)
359397956

>  <transfer_container_id> (3,833)
PTN000000072

>  <COMPOUND_NUMBER> (3,833)
WAY-321848

>  <LOCATION_CODE> (3,833)
PTNCS

>  <AMOUNT_CURRENT> (3,833)
32.5

$$$$
WAY-321861
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
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 13  9  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
 18 19  2  0  0  0  0
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 21 18  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,834)
3838

>  <Formula> (3,834)
C16H17ClO4

>  <MolWeight> (3,834)
308.75678

>  <PCAT_CMPD_ID> (3,834)
WAY-321861

>  <CNC_ID> (3,834)
359397969

>  <transfer_container_id> (3,834)
PTN000000072

>  <COMPOUND_NUMBER> (3,834)
WAY-321861

>  <LOCATION_CODE> (3,834)
PTNCS

>  <AMOUNT_CURRENT> (3,834)
32.5

$$$$
WAY-321955
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 11  1  0  0  0  0
  4  5  2  0  0  0  0
 14 11  1  0  0  0  0
M  END
>  <Mol_ID> (3,835)
3839

>  <Formula> (3,835)
C14H18ClN5O

>  <MolWeight> (3,835)
307.77862

>  <PCAT_CMPD_ID> (3,835)
WAY-321955

>  <CNC_ID> (3,835)
359398060

>  <transfer_container_id> (3,835)
PTN000000072

>  <COMPOUND_NUMBER> (3,835)
WAY-321955

>  <LOCATION_CODE> (3,835)
PTNCS

>  <AMOUNT_CURRENT> (3,835)
32.5

$$$$
WAY-322036-A
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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M  END
>  <Mol_ID> (3,836)
3840

>  <Formula> (3,836)
C14H20N2

>  <MolWeight> (3,836)
216.322

>  <PCAT_CMPD_ID> (3,836)
WAY-322036-A

>  <CNC_ID> (3,836)
359398141

>  <transfer_container_id> (3,836)
PTN000000072

>  <COMPOUND_NUMBER> (3,836)
WAY-322036-A

>  <LOCATION_CODE> (3,836)
PTNCS

>  <AMOUNT_CURRENT> (3,836)
32.5

$$$$
WAY-322134
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 11  8  2  0  0  0  0
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 18 17  1  0  0  0  0
 12  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,837)
3841

>  <Formula> (3,837)
C17H20N6S

>  <MolWeight> (3,837)
340.4459

>  <PCAT_CMPD_ID> (3,837)
WAY-322134

>  <CNC_ID> (3,837)
359398236

>  <transfer_container_id> (3,837)
PTN000000072

>  <COMPOUND_NUMBER> (3,837)
WAY-322134

>  <LOCATION_CODE> (3,837)
PTNCS

>  <AMOUNT_CURRENT> (3,837)
32.5

$$$$
WAY-322850
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 22 15  2  0  0  0  0
 23 20  1  0  0  0  0
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  5  2  1  0  0  0  0
 10 11  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,838)
3842

>  <Formula> (3,838)
C22H23NO4

>  <MolWeight> (3,838)
365.42232

>  <PCAT_CMPD_ID> (3,838)
WAY-322850

>  <CNC_ID> (3,838)
359398923

>  <transfer_container_id> (3,838)
PTN000000072

>  <COMPOUND_NUMBER> (3,838)
WAY-322850

>  <LOCATION_CODE> (3,838)
PTNCS

>  <AMOUNT_CURRENT> (3,838)
32.5

$$$$
WAY-322915
csChFnd80/10101909502D

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 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  1  1  0  0  0  0
 13  6  1  0  0  0  0
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  3  5  1  0  0  0  0
 27 26  2  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,839)
3843

>  <Formula> (3,839)
C21H22N2O4

>  <MolWeight> (3,839)
366.41038

>  <PCAT_CMPD_ID> (3,839)
WAY-322915

>  <CNC_ID> (3,839)
359398988

>  <transfer_container_id> (3,839)
PTN000000072

>  <COMPOUND_NUMBER> (3,839)
WAY-322915

>  <LOCATION_CODE> (3,839)
PTNCS

>  <AMOUNT_CURRENT> (3,839)
32.5

$$$$
WAY-322980
csChFnd80/10101909502D

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 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12 10  2  0  0  0  0
 13  4  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
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  6  7  1  0  0  0  0
 20 19  2  0  0  0  0
M  END
>  <Mol_ID> (3,840)
3844

>  <Formula> (3,840)
C15H16N2O3

>  <MolWeight> (3,840)
272.29914

>  <PCAT_CMPD_ID> (3,840)
WAY-322980

>  <CNC_ID> (3,840)
359399051

>  <transfer_container_id> (3,840)
PTN000000072

>  <COMPOUND_NUMBER> (3,840)
WAY-322980

>  <LOCATION_CODE> (3,840)
PTNCS

>  <AMOUNT_CURRENT> (3,840)
32.5

$$$$
WAY-657155
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,841)
3845

>  <Formula> (3,841)
C16H16N2O2

>  <MolWeight> (3,841)
268.31044

>  <PCAT_CMPD_ID> (3,841)
WAY-657155

>  <CNC_ID> (3,841)
359406869

>  <transfer_container_id> (3,841)
PTN000000072

>  <COMPOUND_NUMBER> (3,841)
WAY-657155

>  <LOCATION_CODE> (3,841)
PTNCS

>  <AMOUNT_CURRENT> (3,841)
32.8

$$$$
WY-41265
csChFnd80/10101909502D

 10 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,842)
3846

>  <Formula> (3,842)
C7H6N2S

>  <MolWeight> (3,842)
150.20094

>  <PCAT_CMPD_ID> (3,842)
WY-41265

>  <CNC_ID> (3,842)
359407648

>  <transfer_container_id> (3,842)
PTN000000072

>  <COMPOUND_NUMBER> (3,842)
WY-41265

>  <LOCATION_CODE> (3,842)
PTNCS

>  <AMOUNT_CURRENT> (3,842)
32.2

$$$$
GI-569462
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,843)
3847

>  <Formula> (3,843)
C10H8Cl2N2O3

>  <MolWeight> (3,843)
275.08812

>  <PCAT_CMPD_ID> (3,843)
GI-569462

>  <CNC_ID> (3,843)
359407773

>  <transfer_container_id> (3,843)
PTN000000073

>  <COMPOUND_NUMBER> (3,843)
GI-569462

>  <LOCATION_CODE> (3,843)
PTNCS

>  <AMOUNT_CURRENT> (3,843)
32.5

$$$$
WAY-323221
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,844)
3848

>  <Formula> (3,844)
C16H12ClNO5S2

>  <MolWeight> (3,844)
397.85318

>  <PCAT_CMPD_ID> (3,844)
WAY-323221

>  <CNC_ID> (3,844)
359409975

>  <transfer_container_id> (3,844)
PTN000000073

>  <COMPOUND_NUMBER> (3,844)
WAY-323221

>  <LOCATION_CODE> (3,844)
PTNCS

>  <AMOUNT_CURRENT> (3,844)
32.5

$$$$
WAY-323349-A
csChFnd80/10101909502D

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 15  3  1  0  0  0  0
 16  6  1  0  0  0  0
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M  END
>  <Mol_ID> (3,845)
3849

>  <Formula> (3,845)
C20H25NO5

>  <MolWeight> (3,845)
359.4162

>  <PCAT_CMPD_ID> (3,845)
WAY-323349-A

>  <CNC_ID> (3,845)
359410103

>  <transfer_container_id> (3,845)
PTN000000073

>  <COMPOUND_NUMBER> (3,845)
WAY-323349-A

>  <LOCATION_CODE> (3,845)
PTNCS

>  <AMOUNT_CURRENT> (3,845)
32.5

$$$$
WAY-323352
csChFnd80/10101909502D

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 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
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 12 10  1  0  0  0  0
M  END
>  <Mol_ID> (3,846)
3850

>  <Formula> (3,846)
C15H15NO7

>  <MolWeight> (3,846)
321.2821

>  <PCAT_CMPD_ID> (3,846)
WAY-323352

>  <CNC_ID> (3,846)
359410105

>  <transfer_container_id> (3,846)
PTN000000073

>  <COMPOUND_NUMBER> (3,846)
WAY-323352

>  <LOCATION_CODE> (3,846)
PTNCS

>  <AMOUNT_CURRENT> (3,846)
32.5

$$$$
WAY-323364
csChFnd80/10101909502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,847)
3851

>  <Formula> (3,847)
C21H18N2O5S2

>  <MolWeight> (3,847)
442.50802

>  <PCAT_CMPD_ID> (3,847)
WAY-323364

>  <CNC_ID> (3,847)
359410117

>  <transfer_container_id> (3,847)
PTN000000073

>  <COMPOUND_NUMBER> (3,847)
WAY-323364

>  <LOCATION_CODE> (3,847)
PTNCS

>  <AMOUNT_CURRENT> (3,847)
32.5

$$$$
WAY-323502
csChFnd80/10101909502D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,848)
3852

>  <Formula> (3,848)
C7H9N3O2S

>  <MolWeight> (3,848)
199.23026

>  <PCAT_CMPD_ID> (3,848)
WAY-323502

>  <CNC_ID> (3,848)
359410250

>  <transfer_container_id> (3,848)
PTN000000073

>  <COMPOUND_NUMBER> (3,848)
WAY-323502

>  <LOCATION_CODE> (3,848)
PTNCS

>  <AMOUNT_CURRENT> (3,848)
32.5

$$$$
WAY-323628
csChFnd80/10101909502D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,849)
3853

>  <Formula> (3,849)
C15H18ClNO3

>  <MolWeight> (3,849)
295.76132

>  <PCAT_CMPD_ID> (3,849)
WAY-323628

>  <CNC_ID> (3,849)
359410374

>  <transfer_container_id> (3,849)
PTN000000073

>  <COMPOUND_NUMBER> (3,849)
WAY-323628

>  <LOCATION_CODE> (3,849)
PTNCS

>  <AMOUNT_CURRENT> (3,849)
32.5

$$$$
WAY-323630
csChFnd80/10101909502D

 29 30  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  5  2  0  0  0  0
 13  7  2  0  0  0  0
 14  3  1  0  0  0  0
 15 20  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  1  0  0  0  0
 18  6  1  0  0  0  0
 19  6  1  0  0  0  0
 20 14  1  0  0  0  0
 21 29  2  0  0  0  0
 22 14  2  0  0  0  0
 23 17  1  0  0  0  0
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 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 22  1  0  0  0  0
  7  2  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,850)
3854

>  <Formula> (3,850)
C22H31NO6

>  <MolWeight> (3,850)
405.48464

>  <PCAT_CMPD_ID> (3,850)
WAY-323630

>  <CNC_ID> (3,850)
359410376

>  <transfer_container_id> (3,850)
PTN000000073

>  <COMPOUND_NUMBER> (3,850)
WAY-323630

>  <LOCATION_CODE> (3,850)
PTNCS

>  <AMOUNT_CURRENT> (3,850)
32.5

$$$$
WAY-323698
csChFnd80/10101909502D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.1631    0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 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
  7 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 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
 22 23  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  2  0  0  0  0
 12 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,851)
3855

>  <Formula> (3,851)
C20H14O3

>  <MolWeight> (3,851)
302.32336

>  <PCAT_CMPD_ID> (3,851)
WAY-323698

>  <CNC_ID> (3,851)
359410444

>  <transfer_container_id> (3,851)
PTN000000073

>  <COMPOUND_NUMBER> (3,851)
WAY-323698

>  <LOCATION_CODE> (3,851)
PTNCS

>  <AMOUNT_CURRENT> (3,851)
32.5

$$$$
WAY-323898-A
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  2  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  2  0  0  0  0
 15  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
  2  4  2  0  0  0  0
 16  9  2  0  0  0  0
M  END
>  <Mol_ID> (3,852)
3856

>  <Formula> (3,852)
C14H18N2O

>  <MolWeight> (3,852)
230.30552

>  <PCAT_CMPD_ID> (3,852)
WAY-323898-A

>  <CNC_ID> (3,852)
359410638

>  <transfer_container_id> (3,852)
PTN000000073

>  <COMPOUND_NUMBER> (3,852)
WAY-323898-A

>  <LOCATION_CODE> (3,852)
PTNCS

>  <AMOUNT_CURRENT> (3,852)
32.5

$$$$
WAY-323979
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.1917   -0.1375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  3  1  1  0  0  0  0
  4  8  1  0  0  0  0
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 10  1  2  0  0  0  0
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 12  7  1  0  0  0  0
 13  3  2  0  0  0  0
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 17  3  1  0  0  0  0
 18  6  1  0  0  0  0
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 21 20  1  0  0  0  0
 19 21  2  0  0  0  0
  5  8  2  0  0  0  0
  6  4  1  0  0  0  0
M  END
>  <Mol_ID> (3,853)
3857

>  <Formula> (3,853)
C14H11FN2O2S2

>  <MolWeight> (3,853)
322.3777432

>  <PCAT_CMPD_ID> (3,853)
WAY-323979

>  <CNC_ID> (3,853)
359410718

>  <transfer_container_id> (3,853)
PTN000000073

>  <COMPOUND_NUMBER> (3,853)
WAY-323979

>  <LOCATION_CODE> (3,853)
PTNCS

>  <AMOUNT_CURRENT> (3,853)
32.5

$$$$
WAY-324211
csChFnd80/10101909502D

 23 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
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 23 17  2  0  0  0  0
  4  9  1  0  0  0  0
  6  8  2  0  0  0  0
 21 15  1  0  0  0  0
 22 16  2  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (3,854)
3858

>  <Formula> (3,854)
C19H14N4

>  <MolWeight> (3,854)
298.34126

>  <PCAT_CMPD_ID> (3,854)
WAY-324211

>  <CNC_ID> (3,854)
359410948

>  <transfer_container_id> (3,854)
PTN000000073

>  <COMPOUND_NUMBER> (3,854)
WAY-324211

>  <LOCATION_CODE> (3,854)
PTNCS

>  <AMOUNT_CURRENT> (3,854)
32.5

$$$$
WAY-324718
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 13  6  1  0  0  0  0
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 11  7  1  0  0  0  0
M  END
>  <Mol_ID> (3,855)
3859

>  <Formula> (3,855)
C16H19NO5

>  <MolWeight> (3,855)
305.32576

>  <PCAT_CMPD_ID> (3,855)
WAY-324718

>  <CNC_ID> (3,855)
359411450

>  <transfer_container_id> (3,855)
PTN000000073

>  <COMPOUND_NUMBER> (3,855)
WAY-324718

>  <LOCATION_CODE> (3,855)
PTNCS

>  <AMOUNT_CURRENT> (3,855)
32.5

$$$$
WAY-324843
csChFnd80/10101909502D

 19 22  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
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  4  3  1  0  0  0  0
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 19 15  2  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (3,856)
3860

>  <Formula> (3,856)
C16H10N2O

>  <MolWeight> (3,856)
246.2634

>  <PCAT_CMPD_ID> (3,856)
WAY-324843

>  <CNC_ID> (3,856)
359411575

>  <transfer_container_id> (3,856)
PTN000000073

>  <COMPOUND_NUMBER> (3,856)
WAY-324843

>  <LOCATION_CODE> (3,856)
PTNCS

>  <AMOUNT_CURRENT> (3,856)
32.5

$$$$
WAY-324886
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  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 12  2  0  0  0  0
 15 11  1  0  0  0  0
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 17  9  2  0  0  0  0
 18  9  1  0  0  0  0
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  2  5  1  0  0  0  0
 22 20  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,857)
3861

>  <Formula> (3,857)
C16H14N4O2

>  <MolWeight> (3,857)
294.30796

>  <PCAT_CMPD_ID> (3,857)
WAY-324886

>  <CNC_ID> (3,857)
359411615

>  <transfer_container_id> (3,857)
PTN000000073

>  <COMPOUND_NUMBER> (3,857)
WAY-324886

>  <LOCATION_CODE> (3,857)
PTNCS

>  <AMOUNT_CURRENT> (3,857)
32.5

$$$$
WAY-325052
csChFnd80/10101909502D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  3  2  0  0  0  0
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 20  9  2  0  0  0  0
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  7  9  1  0  0  0  0
  5  6  1  0  0  0  0
 17 15  2  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (3,858)
3862

>  <Formula> (3,858)
C17H10ClNO2S

>  <MolWeight> (3,858)
327.7848

>  <PCAT_CMPD_ID> (3,858)
WAY-325052

>  <CNC_ID> (3,858)
359411777

>  <transfer_container_id> (3,858)
PTN000000073

>  <COMPOUND_NUMBER> (3,858)
WAY-325052

>  <LOCATION_CODE> (3,858)
PTNCS

>  <AMOUNT_CURRENT> (3,858)
32.5

$$$$
WAY-325305
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 13  8  2  0  0  0  0
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 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (3,859)
3863

>  <Formula> (3,859)
C20H19ClN4O2S

>  <MolWeight> (3,859)
414.90846

>  <PCAT_CMPD_ID> (3,859)
WAY-325305

>  <CNC_ID> (3,859)
359412026

>  <transfer_container_id> (3,859)
PTN000000073

>  <COMPOUND_NUMBER> (3,859)
WAY-325305

>  <LOCATION_CODE> (3,859)
PTNCS

>  <AMOUNT_CURRENT> (3,859)
32.5

$$$$
WAY-619393
csChFnd80/10101909502D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,860)
3864

>  <Formula> (3,860)
C20H14N2O6S

>  <MolWeight> (3,860)
410.39996

>  <PCAT_CMPD_ID> (3,860)
WAY-619393

>  <CNC_ID> (3,860)
359416370

>  <transfer_container_id> (3,860)
PTN000000073

>  <COMPOUND_NUMBER> (3,860)
WAY-619393

>  <LOCATION_CODE> (3,860)
PTNCS

>  <AMOUNT_CURRENT> (3,860)
32.2

$$$$
CL-425440
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,861)
3865

>  <Formula> (3,861)
C12H15NO2S

>  <MolWeight> (3,861)
237.318

>  <PCAT_CMPD_ID> (3,861)
CL-425440

>  <CNC_ID> (3,861)
359420023

>  <transfer_container_id> (3,861)
PTN000000074

>  <COMPOUND_NUMBER> (3,861)
CL-425440

>  <LOCATION_CODE> (3,861)
PTNCS

>  <AMOUNT_CURRENT> (3,861)
32.5

$$$$
WAY-326231
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,862)
3866

>  <Formula> (3,862)
C7H6BrN3O

>  <MolWeight> (3,862)
228.04604

>  <PCAT_CMPD_ID> (3,862)
WAY-326231

>  <CNC_ID> (3,862)
359423205

>  <transfer_container_id> (3,862)
PTN000000074

>  <COMPOUND_NUMBER> (3,862)
WAY-326231

>  <LOCATION_CODE> (3,862)
PTNCS

>  <AMOUNT_CURRENT> (3,862)
32.5

$$$$
WAY-326245-A
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,863)
3867

>  <Formula> (3,863)
C13H12ClNO2S

>  <MolWeight> (3,863)
281.75788

>  <PCAT_CMPD_ID> (3,863)
WAY-326245-A

>  <CNC_ID> (3,863)
359423219

>  <transfer_container_id> (3,863)
PTN000000074

>  <COMPOUND_NUMBER> (3,863)
WAY-326245-A

>  <LOCATION_CODE> (3,863)
PTNCS

>  <AMOUNT_CURRENT> (3,863)
32.5

$$$$
WAY-326264
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,864)
3868

>  <Formula> (3,864)
C15H14FN5

>  <MolWeight> (3,864)
283.3035632

>  <PCAT_CMPD_ID> (3,864)
WAY-326264

>  <CNC_ID> (3,864)
359423238

>  <transfer_container_id> (3,864)
PTN000000074

>  <COMPOUND_NUMBER> (3,864)
WAY-326264

>  <LOCATION_CODE> (3,864)
PTNCS

>  <AMOUNT_CURRENT> (3,864)
32.5

$$$$
WAY-326277
csChFnd80/10101909502D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,865)
3869

>  <Formula> (3,865)
C16H15ClN2OS

>  <MolWeight> (3,865)
318.8211

>  <PCAT_CMPD_ID> (3,865)
WAY-326277

>  <CNC_ID> (3,865)
359423251

>  <transfer_container_id> (3,865)
PTN000000074

>  <COMPOUND_NUMBER> (3,865)
WAY-326277

>  <LOCATION_CODE> (3,865)
PTNCS

>  <AMOUNT_CURRENT> (3,865)
32.5

$$$$
WAY-327010
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (3,866)
3870

>  <Formula> (3,866)
C11H9ClFN3OS

>  <MolWeight> (3,866)
285.7250632

>  <PCAT_CMPD_ID> (3,866)
WAY-327010

>  <CNC_ID> (3,866)
359423974

>  <transfer_container_id> (3,866)
PTN000000074

>  <COMPOUND_NUMBER> (3,866)
WAY-327010

>  <LOCATION_CODE> (3,866)
PTNCS

>  <AMOUNT_CURRENT> (3,866)
32.5

$$$$
WAY-297782
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,867)
3871

>  <Formula> (3,867)
C13H14O3S

>  <MolWeight> (3,867)
250.31346

>  <PCAT_CMPD_ID> (3,867)
WAY-297782

>  <CNC_ID> (3,867)
359344226

>  <transfer_container_id> (3,867)
PTN000000068

>  <COMPOUND_NUMBER> (3,867)
WAY-297782

>  <LOCATION_CODE> (3,867)
PTNCS

>  <AMOUNT_CURRENT> (3,867)
33.3

$$$$
WAY-297809
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23 24  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
M  END
>  <Mol_ID> (3,868)
3872

>  <Formula> (3,868)
C17H19N5O2

>  <MolWeight> (3,868)
325.36506

>  <PCAT_CMPD_ID> (3,868)
WAY-297809

>  <CNC_ID> (3,868)
359344253

>  <transfer_container_id> (3,868)
PTN000000068

>  <COMPOUND_NUMBER> (3,868)
WAY-297809

>  <LOCATION_CODE> (3,868)
PTNCS

>  <AMOUNT_CURRENT> (3,868)
33.2

$$$$
WAY-297586
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,869)
3873

>  <Formula> (3,869)
C20H16BrNO

>  <MolWeight> (3,869)
366.25114

>  <PCAT_CMPD_ID> (3,869)
WAY-297586

>  <CNC_ID> (3,869)
359344030

>  <transfer_container_id> (3,869)
PTN000000068

>  <COMPOUND_NUMBER> (3,869)
WAY-297586

>  <LOCATION_CODE> (3,869)
PTNCS

>  <AMOUNT_CURRENT> (3,869)
33.4

$$$$
WAY-297761
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,870)
3874

>  <Formula> (3,870)
C21H19N3O2

>  <MolWeight> (3,870)
345.39446

>  <PCAT_CMPD_ID> (3,870)
WAY-297761

>  <CNC_ID> (3,870)
359344205

>  <transfer_container_id> (3,870)
PTN000000068

>  <COMPOUND_NUMBER> (3,870)
WAY-297761

>  <LOCATION_CODE> (3,870)
PTNCS

>  <AMOUNT_CURRENT> (3,870)
33.3

$$$$
WAY-297762
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,871)
3875

>  <Formula> (3,871)
C15H17N5O3

>  <MolWeight> (3,871)
315.32718

>  <PCAT_CMPD_ID> (3,871)
WAY-297762

>  <CNC_ID> (3,871)
359344206

>  <transfer_container_id> (3,871)
PRL000000078

>  <COMPOUND_NUMBER> (3,871)
WAY-297762

>  <LOCATION_CODE> (3,871)
PRLCS

>  <AMOUNT_CURRENT> (3,871)
33.3

$$$$
WAY-297832
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,872)
3876

>  <Formula> (3,872)
C14H16N2O3

>  <MolWeight> (3,872)
260.28844

>  <PCAT_CMPD_ID> (3,872)
WAY-297832

>  <CNC_ID> (3,872)
359344276

>  <transfer_container_id> (3,872)
PTN000000068

>  <COMPOUND_NUMBER> (3,872)
WAY-297832

>  <LOCATION_CODE> (3,872)
PTNCS

>  <AMOUNT_CURRENT> (3,872)
33

$$$$
WAY-297842
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,873)
3877

>  <Formula> (3,873)
C17H23NO

>  <MolWeight> (3,873)
257.37062

>  <PCAT_CMPD_ID> (3,873)
WAY-297842

>  <CNC_ID> (3,873)
359344286

>  <transfer_container_id> (3,873)
PTN000000068

>  <COMPOUND_NUMBER> (3,873)
WAY-297842

>  <LOCATION_CODE> (3,873)
PTNCS

>  <AMOUNT_CURRENT> (3,873)
33.4

$$$$
WAY-297849
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,874)
3878

>  <Formula> (3,874)
C16H20ClN3O2

>  <MolWeight> (3,874)
321.8019

>  <PCAT_CMPD_ID> (3,874)
WAY-297849

>  <CNC_ID> (3,874)
359344293

>  <transfer_container_id> (3,874)
PTN000000068

>  <COMPOUND_NUMBER> (3,874)
WAY-297849

>  <LOCATION_CODE> (3,874)
PTNCS

>  <AMOUNT_CURRENT> (3,874)
33.2

$$$$
WAY-297986
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,875)
3879

>  <Formula> (3,875)
C19H20N2O4S

>  <MolWeight> (3,875)
372.4381

>  <PCAT_CMPD_ID> (3,875)
WAY-297986

>  <CNC_ID> (3,875)
359344430

>  <transfer_container_id> (3,875)
PTN000000068

>  <COMPOUND_NUMBER> (3,875)
WAY-297986

>  <LOCATION_CODE> (3,875)
PTNCS

>  <AMOUNT_CURRENT> (3,875)
33.1

$$$$
GI-523240
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 22 23  1  0  0  0  0
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  9 13  2  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (3,876)
3880

>  <Formula> (3,876)
C18H18O5

>  <MolWeight> (3,876)
314.33252

>  <PCAT_CMPD_ID> (3,876)
GI-523240

>  <CNC_ID> (3,876)
359353837

>  <transfer_container_id> (3,876)
PTN000000069

>  <COMPOUND_NUMBER> (3,876)
GI-523240

>  <LOCATION_CODE> (3,876)
PTNCS

>  <AMOUNT_CURRENT> (3,876)
33.2

$$$$
WAY-388396
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 14  8  2  0  0  0  0
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 17  5  1  0  0  0  0
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 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,877)
3881

>  <Formula> (3,877)
C18H17FN2OS2

>  <MolWeight> (3,877)
360.4687832

>  <PCAT_CMPD_ID> (3,877)
WAY-388396

>  <CNC_ID> (3,877)
359372536

>  <transfer_container_id> (3,877)
PTN000000070

>  <COMPOUND_NUMBER> (3,877)
WAY-388396

>  <LOCATION_CODE> (3,877)
PTNCS

>  <AMOUNT_CURRENT> (3,877)
32.5

$$$$
WAY-388453
csChFnd80/10101909502D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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 13  8  1  0  0  0  0
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 18 15  2  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (3,878)
3882

>  <Formula> (3,878)
C15H12FN5O2

>  <MolWeight> (3,878)
313.2864832

>  <PCAT_CMPD_ID> (3,878)
WAY-388453

>  <CNC_ID> (3,878)
359372591

>  <transfer_container_id> (3,878)
PTN000000070

>  <COMPOUND_NUMBER> (3,878)
WAY-388453

>  <LOCATION_CODE> (3,878)
PTNCS

>  <AMOUNT_CURRENT> (3,878)
32.9

$$$$
WAY-306113
csChFnd80/10101909502D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,879)
3883

>  <Formula> (3,879)
C24H19NO3S

>  <MolWeight> (3,879)
401.47756

>  <PCAT_CMPD_ID> (3,879)
WAY-306113

>  <CNC_ID> (3,879)
359408614

>  <transfer_container_id> (3,879)
PTN000000073

>  <COMPOUND_NUMBER> (3,879)
WAY-306113

>  <LOCATION_CODE> (3,879)
PTNCS

>  <AMOUNT_CURRENT> (3,879)
33.5

$$$$
WL-178183
csChFnd80/10101909502D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
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 16  7  1  0  0  0  0
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 20 17  1  0  0  0  0
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  5  2  2  0  0  0  0
 14 15  2  0  0  0  0
M  END
>  <Mol_ID> (3,880)
3884

>  <Formula> (3,880)
C15H17NO5

>  <MolWeight> (3,880)
291.29918

>  <PCAT_CMPD_ID> (3,880)
WL-178183

>  <CNC_ID> (3,880)
359419945

>  <transfer_container_id> (3,880)
PTN000000073

>  <COMPOUND_NUMBER> (3,880)
WL-178183

>  <LOCATION_CODE> (3,880)
PTNCS

>  <AMOUNT_CURRENT> (3,880)
33.8

$$$$
GI-526551
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,881)
3885

>  <Formula> (3,881)
C16H14N4O

>  <MolWeight> (3,881)
278.30856

>  <PCAT_CMPD_ID> (3,881)
GI-526551

>  <CNC_ID> (3,881)
359326776

>  <transfer_container_id> (3,881)
PTN000000067

>  <COMPOUND_NUMBER> (3,881)
GI-526551

>  <LOCATION_CODE> (3,881)
PTNCS

>  <AMOUNT_CURRENT> (3,881)
33.3

$$$$
WAY-313261
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  8 10  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,882)
3886

>  <Formula> (3,882)
C19H23NO4

>  <MolWeight> (3,882)
329.39022

>  <PCAT_CMPD_ID> (3,882)
WAY-313261

>  <CNC_ID> (3,882)
359328297

>  <transfer_container_id> (3,882)
PTN000000067

>  <COMPOUND_NUMBER> (3,882)
WAY-313261

>  <LOCATION_CODE> (3,882)
PTNCS

>  <AMOUNT_CURRENT> (3,882)
33.9

$$$$
CL-92032
csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,883)
3887

>  <Formula> (3,883)
C9H8N4OS

>  <MolWeight> (3,883)
220.25102

>  <PCAT_CMPD_ID> (3,883)
CL-92032

>  <CNC_ID> (3,883)
359339973

>  <transfer_container_id> (3,883)
PTN000000068

>  <COMPOUND_NUMBER> (3,883)
CL-92032

>  <LOCATION_CODE> (3,883)
PTNCS

>  <AMOUNT_CURRENT> (3,883)
33

$$$$
WAY-113638
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 13 16  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (3,884)
3888

>  <Formula> (3,884)
C16H17ClN2O3

>  <MolWeight> (3,884)
320.77078

>  <PCAT_CMPD_ID> (3,884)
WAY-113638

>  <CNC_ID> (3,884)
359340026

>  <transfer_container_id> (3,884)
PTN000000068

>  <COMPOUND_NUMBER> (3,884)
WAY-113638

>  <LOCATION_CODE> (3,884)
PTNCS

>  <AMOUNT_CURRENT> (3,884)
33.5

$$$$
WAY-236638
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,885)
3889

>  <Formula> (3,885)
C19H15ClN2O4

>  <MolWeight> (3,885)
370.7864

>  <PCAT_CMPD_ID> (3,885)
WAY-236638

>  <CNC_ID> (3,885)
359340301

>  <transfer_container_id> (3,885)
PTN000000068

>  <COMPOUND_NUMBER> (3,885)
WAY-236638

>  <LOCATION_CODE> (3,885)
PTNCS

>  <AMOUNT_CURRENT> (3,885)
33.1

$$$$
WAY-296479
csChFnd80/10101909502D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
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M  END
>  <Mol_ID> (3,886)
3890

>  <Formula> (3,886)
C10H6BrN3S

>  <MolWeight> (3,886)
280.14374

>  <PCAT_CMPD_ID> (3,886)
WAY-296479

>  <CNC_ID> (3,886)
359342923

>  <transfer_container_id> (3,886)
PTN000000068

>  <COMPOUND_NUMBER> (3,886)
WAY-296479

>  <LOCATION_CODE> (3,886)
PTNCS

>  <AMOUNT_CURRENT> (3,886)
33.4

$$$$
WAY-296571
csChFnd80/10101909502D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,887)
3891

>  <Formula> (3,887)
C14H17NO3

>  <MolWeight> (3,887)
247.28968

>  <PCAT_CMPD_ID> (3,887)
WAY-296571

>  <CNC_ID> (3,887)
359343015

>  <transfer_container_id> (3,887)
PTN000000068

>  <COMPOUND_NUMBER> (3,887)
WAY-296571

>  <LOCATION_CODE> (3,887)
PTNCS

>  <AMOUNT_CURRENT> (3,887)
33.4

$$$$
WAY-296588
csChFnd80/10101909502D

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  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
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M  END
>  <Mol_ID> (3,888)
3892

>  <Formula> (3,888)
C15H13N3OS3

>  <MolWeight> (3,888)
347.47822

>  <PCAT_CMPD_ID> (3,888)
WAY-296588

>  <CNC_ID> (3,888)
359343032

>  <transfer_container_id> (3,888)
PTN000000068

>  <COMPOUND_NUMBER> (3,888)
WAY-296588

>  <LOCATION_CODE> (3,888)
PTNCS

>  <AMOUNT_CURRENT> (3,888)
33.2

$$$$
WAY-296701
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,889)
3893

>  <Formula> (3,889)
C19H24N2O4

>  <MolWeight> (3,889)
344.40486

>  <PCAT_CMPD_ID> (3,889)
WAY-296701

>  <CNC_ID> (3,889)
359343145

>  <transfer_container_id> (3,889)
PTN000000068

>  <COMPOUND_NUMBER> (3,889)
WAY-296701

>  <LOCATION_CODE> (3,889)
PTNCS

>  <AMOUNT_CURRENT> (3,889)
33.2

$$$$
WAY-296931
csChFnd80/10101909502D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,890)
3894

>  <Formula> (3,890)
C18H18F2N2O2

>  <MolWeight> (3,890)
332.3445264

>  <PCAT_CMPD_ID> (3,890)
WAY-296931

>  <CNC_ID> (3,890)
359343375

>  <transfer_container_id> (3,890)
PTN000000068

>  <COMPOUND_NUMBER> (3,890)
WAY-296931

>  <LOCATION_CODE> (3,890)
PTNCS

>  <AMOUNT_CURRENT> (3,890)
33.3

$$$$
WAY-297087
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,891)
3895

>  <Formula> (3,891)
C19H16ClNO

>  <MolWeight> (3,891)
309.78944

>  <PCAT_CMPD_ID> (3,891)
WAY-297087

>  <CNC_ID> (3,891)
359343531

>  <transfer_container_id> (3,891)
PTN000000068

>  <COMPOUND_NUMBER> (3,891)
WAY-297087

>  <LOCATION_CODE> (3,891)
PTNCS

>  <AMOUNT_CURRENT> (3,891)
33.5

$$$$
WAY-297121
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,892)
3896

>  <Formula> (3,892)
C21H20N2O4S

>  <MolWeight> (3,892)
396.4595

>  <PCAT_CMPD_ID> (3,892)
WAY-297121

>  <CNC_ID> (3,892)
359343565

>  <transfer_container_id> (3,892)
PTN000000068

>  <COMPOUND_NUMBER> (3,892)
WAY-297121

>  <LOCATION_CODE> (3,892)
PTNCS

>  <AMOUNT_CURRENT> (3,892)
33.1

$$$$
WAY-297124
csChFnd80/10101909502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,893)
3897

>  <Formula> (3,893)
C12H12FNO2S

>  <MolWeight> (3,893)
253.2925832

>  <PCAT_CMPD_ID> (3,893)
WAY-297124

>  <CNC_ID> (3,893)
359343568

>  <transfer_container_id> (3,893)
PTN000000068

>  <COMPOUND_NUMBER> (3,893)
WAY-297124

>  <LOCATION_CODE> (3,893)
PTNCS

>  <AMOUNT_CURRENT> (3,893)
33

$$$$
WAY-297131
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,894)
3898

>  <Formula> (3,894)
C13H13NO4S2

>  <MolWeight> (3,894)
311.37662

>  <PCAT_CMPD_ID> (3,894)
WAY-297131

>  <CNC_ID> (3,894)
359343575

>  <transfer_container_id> (3,894)
PTN000000068

>  <COMPOUND_NUMBER> (3,894)
WAY-297131

>  <LOCATION_CODE> (3,894)
PTNCS

>  <AMOUNT_CURRENT> (3,894)
33.3

$$$$
WAY-297171
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,895)
3899

>  <Formula> (3,895)
C14H16N2O4

>  <MolWeight> (3,895)
276.28784

>  <PCAT_CMPD_ID> (3,895)
WAY-297171

>  <CNC_ID> (3,895)
359343615

>  <transfer_container_id> (3,895)
PTN000000068

>  <COMPOUND_NUMBER> (3,895)
WAY-297171

>  <LOCATION_CODE> (3,895)
PTNCS

>  <AMOUNT_CURRENT> (3,895)
33

$$$$
WAY-297282
csChFnd80/10101909502D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (3,896)
3900

>  <Formula> (3,896)
C17H19N3O4S

>  <MolWeight> (3,896)
361.41546

>  <PCAT_CMPD_ID> (3,896)
WAY-297282

>  <CNC_ID> (3,896)
359343726

>  <transfer_container_id> (3,896)
PTN000000068

>  <COMPOUND_NUMBER> (3,896)
WAY-297282

>  <LOCATION_CODE> (3,896)
PTNCS

>  <AMOUNT_CURRENT> (3,896)
33.3

$$$$
WAY-332983
csChFnd80/10101909502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,897)
3901

>  <Formula> (3,897)
C17H18N6O2

>  <MolWeight> (3,897)
338.36382

>  <PCAT_CMPD_ID> (3,897)
WAY-332983

>  <CNC_ID> (3,897)
359331518

>  <transfer_container_id> (3,897)
PTN000000067

>  <COMPOUND_NUMBER> (3,897)
WAY-332983

>  <LOCATION_CODE> (3,897)
PTNCS

>  <AMOUNT_CURRENT> (3,897)
32.5

$$$$
WAY-333220
csChFnd80/10101909502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 15  8  2  0  0  0  0
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 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
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M  END
>  <Mol_ID> (3,898)
3902

>  <Formula> (3,898)
C19H20N2O5S

>  <MolWeight> (3,898)
388.4375

>  <PCAT_CMPD_ID> (3,898)
WAY-333220

>  <CNC_ID> (3,898)
359331755

>  <transfer_container_id> (3,898)
PTN000000067

>  <COMPOUND_NUMBER> (3,898)
WAY-333220

>  <LOCATION_CODE> (3,898)
PTNCS

>  <AMOUNT_CURRENT> (3,898)
32.5

$$$$
WAY-332982
csChFnd80/10101909502D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  7  2  0  0  0  0
 12 16  1  0  0  0  0
 13 12  2  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 17  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
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 26 25  2  0  0  0  0
  5  4  2  0  0  0  0
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 20 18  1  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (3,899)
3903

>  <Formula> (3,899)
C20H17N5O

>  <MolWeight> (3,899)
343.38188

>  <PCAT_CMPD_ID> (3,899)
WAY-332982

>  <CNC_ID> (3,899)
359331517

>  <transfer_container_id> (3,899)
PTN000000067

>  <COMPOUND_NUMBER> (3,899)
WAY-332982

>  <LOCATION_CODE> (3,899)
PTNCS

>  <AMOUNT_CURRENT> (3,899)
32.5

$$$$
WAY-332161
csChFnd80/10101909502D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
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  7 14  1  0  0  0  0
  8  3  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  2  0  0  0  0
 13 15  1  0  0  0  0
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 15  8  2  0  0  0  0
 16  1  1  0  0  0  0
 17 11  1  0  0  0  0
 18  2  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  2  0  0  0  0
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 23 20  1  0  0  0  0
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 13 10  2  0  0  0  0
 24 23  2  0  0  0  0
M  END
>  <Mol_ID> (3,900)
3904

>  <Formula> (3,900)
C20H22N2O2

>  <MolWeight> (3,900)
322.40088

>  <PCAT_CMPD_ID> (3,900)
WAY-332161

>  <CNC_ID> (3,900)
359330697

>  <transfer_container_id> (3,900)
PTN000000067

>  <COMPOUND_NUMBER> (3,900)
WAY-332161

>  <LOCATION_CODE> (3,900)
PTNCS

>  <AMOUNT_CURRENT> (3,900)
32.5

$$$$
WAY-332603
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  2  0  0  0  0
 13  4  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  2  0  0  0  0
 16 12  1  0  0  0  0
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 22 20  1  0  0  0  0
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 10  7  1  0  0  0  0
 17 16  2  0  0  0  0
M  END
>  <Mol_ID> (3,901)
3905

>  <Formula> (3,901)
C17H17NO3S

>  <MolWeight> (3,901)
315.38678

>  <PCAT_CMPD_ID> (3,901)
WAY-332603

>  <CNC_ID> (3,901)
359331139

>  <transfer_container_id> (3,901)
PTN000000067

>  <COMPOUND_NUMBER> (3,901)
WAY-332603

>  <LOCATION_CODE> (3,901)
PTNCS

>  <AMOUNT_CURRENT> (3,901)
32.5

$$$$
WAY-278784
csChFnd80/10101909502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,902)
3906

>  <Formula> (3,902)
C5H4BrN5O

>  <MolWeight> (3,902)
230.02216

>  <PCAT_CMPD_ID> (3,902)
WAY-278784

>  <CNC_ID> (3,902)
359327504

>  <transfer_container_id> (3,902)
PTN000000067

>  <COMPOUND_NUMBER> (3,902)
WAY-278784

>  <LOCATION_CODE> (3,902)
PTNCS

>  <AMOUNT_CURRENT> (3,902)
32.5

$$$$
WAY-334106
csChFnd80/10101909502D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,903)
3907

>  <Formula> (3,903)
C16H14BrN3O

>  <MolWeight> (3,903)
344.20586

>  <PCAT_CMPD_ID> (3,903)
WAY-334106

>  <CNC_ID> (3,903)
359332639

>  <transfer_container_id> (3,903)
PTN000000067

>  <COMPOUND_NUMBER> (3,903)
WAY-334106

>  <LOCATION_CODE> (3,903)
PTNCS

>  <AMOUNT_CURRENT> (3,903)
32.5

$$$$
WAY-645303
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,904)
3908

>  <Formula> (3,904)
C22H28N4O3

>  <MolWeight> (3,904)
396.48272

>  <PCAT_CMPD_ID> (3,904)
WAY-645303

>  <CNC_ID> (3,904)
359337975

>  <transfer_container_id> (3,904)
PTN000000067

>  <COMPOUND_NUMBER> (3,904)
WAY-645303

>  <LOCATION_CODE> (3,904)
PTNCS

>  <AMOUNT_CURRENT> (3,904)
32.3

$$$$
WAY-645324
csChFnd80/10101909502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,905)
3909

>  <Formula> (3,905)
C19H19N5O2S2

>  <MolWeight> (3,905)
413.51646

>  <PCAT_CMPD_ID> (3,905)
WAY-645324

>  <CNC_ID> (3,905)
359337996

>  <transfer_container_id> (3,905)
PTN000000067

>  <COMPOUND_NUMBER> (3,905)
WAY-645324

>  <LOCATION_CODE> (3,905)
PTNCS

>  <AMOUNT_CURRENT> (3,905)
32.3

$$$$
WAY-645367
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,906)
3910

>  <Formula> (3,906)
C20H18N4O3S

>  <MolWeight> (3,906)
394.44692

>  <PCAT_CMPD_ID> (3,906)
WAY-645367

>  <CNC_ID> (3,906)
359338039

>  <transfer_container_id> (3,906)
PTN000000067

>  <COMPOUND_NUMBER> (3,906)
WAY-645367

>  <LOCATION_CODE> (3,906)
PTNCS

>  <AMOUNT_CURRENT> (3,906)
33

$$$$
WAY-645980
csChFnd80/10101909502D

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 18  9  1  0  0  0  0
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 20  9  1  0  0  0  0
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  5  6  2  0  0  0  0
 13 19  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,907)
3911

>  <Formula> (3,907)
C20H22N2O4S

>  <MolWeight> (3,907)
386.46468

>  <PCAT_CMPD_ID> (3,907)
WAY-645980

>  <CNC_ID> (3,907)
359338653

>  <transfer_container_id> (3,907)
PTN000000067

>  <COMPOUND_NUMBER> (3,907)
WAY-645980

>  <LOCATION_CODE> (3,907)
PTNCS

>  <AMOUNT_CURRENT> (3,907)
32.9

$$$$
WAY-277580
csChFnd80/10101909502D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  5  3  1  0  0  0  0
  6 10  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 11  9  1  0  0  0  0
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 13  6  2  0  0  0  0
 14  3  1  0  0  0  0
 15 11  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  2  0  0  0  0
 18 15  1  0  0  0  0
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 20 14  1  0  0  0  0
 21 14  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
  4  5  2  0  0  0  0
  6  8  1  0  0  0  0
 18 19  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (3,908)
3912

>  <Formula> (3,908)
C16H13N3O4S

>  <MolWeight> (3,908)
343.35712

>  <PCAT_CMPD_ID> (3,908)
WAY-277580

>  <CNC_ID> (3,908)
359342125

>  <transfer_container_id> (3,908)
PTN000000068

>  <COMPOUND_NUMBER> (3,908)
WAY-277580

>  <LOCATION_CODE> (3,908)
PTNCS

>  <AMOUNT_CURRENT> (3,908)
32.5

$$$$
WAY-335414
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  6  2  1  0  0  0  0
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 10  3  2  0  0  0  0
 11  8  1  0  0  0  0
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 13  7  2  0  0  0  0
 14 11  1  0  0  0  0
 15  6  2  0  0  0  0
 16  5  2  0  0  0  0
 17 12  1  0  0  0  0
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  5  6  1  0  0  0  0
 23 24  2  0  0  0  0
 20 26  1  0  0  0  0
M  END
>  <Mol_ID> (3,909)
3913

>  <Formula> (3,909)
C21H28N2O3

>  <MolWeight> (3,909)
356.45862

>  <PCAT_CMPD_ID> (3,909)
WAY-335414

>  <CNC_ID> (3,909)
359344675

>  <transfer_container_id> (3,909)
PTN000000068

>  <COMPOUND_NUMBER> (3,909)
WAY-335414

>  <LOCATION_CODE> (3,909)
PTNCS

>  <AMOUNT_CURRENT> (3,909)
32.5

$$$$
WAY-336654
csChFnd80/10101909502D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  5 21  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 16 20  1  0  0  0  0
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 17 16  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (3,910)
3914

>  <Formula> (3,910)
C17H15Cl2NO2

>  <MolWeight> (3,910)
336.2125

>  <PCAT_CMPD_ID> (3,910)
WAY-336654

>  <CNC_ID> (3,910)
359345911

>  <transfer_container_id> (3,910)
PTN000000068

>  <COMPOUND_NUMBER> (3,910)
WAY-336654

>  <LOCATION_CODE> (3,910)
PTNCS

>  <AMOUNT_CURRENT> (3,910)
32.5

$$$$
WAY-337052
csChFnd80/10101909502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
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 12  8  2  0  0  0  0
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 14  4  1  0  0  0  0
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 26  6  1  0  0  0  0
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 17 15  1  0  0  0  0
  5  7  1  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (3,911)
3915

>  <Formula> (3,911)
C19H22N2O6S

>  <MolWeight> (3,911)
406.45278

>  <PCAT_CMPD_ID> (3,911)
WAY-337052

>  <CNC_ID> (3,911)
359346308

>  <transfer_container_id> (3,911)
PTN000000068

>  <COMPOUND_NUMBER> (3,911)
WAY-337052

>  <LOCATION_CODE> (3,911)
PTNCS

>  <AMOUNT_CURRENT> (3,911)
32.5

$$$$
WAY-611474
csChFnd80/10101909502D

 22 26  0  0  0  0  0  0  0  0999 V2000
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 15 12  1  0  0  0  0
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M  END
>  <Mol_ID> (3,912)
3916

>  <Formula> (3,912)
C18H20O4

>  <MolWeight> (3,912)
300.349

>  <PCAT_CMPD_ID> (3,912)
WAY-611474

>  <CNC_ID> (3,912)
359347375

>  <transfer_container_id> (3,912)
PTN000000068

>  <COMPOUND_NUMBER> (3,912)
WAY-611474

>  <LOCATION_CODE> (3,912)
PTNCS

>  <AMOUNT_CURRENT> (3,912)
32.9

$$$$
WAY-612146
csChFnd80/10101909502D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
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M  END
>  <Mol_ID> (3,913)
3917

>  <Formula> (3,913)
C26H24N2O5

>  <MolWeight> (3,913)
444.47916

>  <PCAT_CMPD_ID> (3,913)
WAY-612146

>  <CNC_ID> (3,913)
359348048

>  <transfer_container_id> (3,913)
PTN000000068

>  <COMPOUND_NUMBER> (3,913)
WAY-612146

>  <LOCATION_CODE> (3,913)
PTNCS

>  <AMOUNT_CURRENT> (3,913)
32.9

$$$$
WAY-612531
csChFnd80/10101909502D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 13 12  2  0  0  0  0
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 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
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M  END
>  <Mol_ID> (3,914)
3918

>  <Formula> (3,914)
C10H12N4O4S

>  <MolWeight> (3,914)
284.29168

>  <PCAT_CMPD_ID> (3,914)
WAY-612531

>  <CNC_ID> (3,914)
359348433

>  <transfer_container_id> (3,914)
PTN000000068

>  <COMPOUND_NUMBER> (3,914)
WAY-612531

>  <LOCATION_CODE> (3,914)
PTNCS

>  <AMOUNT_CURRENT> (3,914)
32.8

$$$$
WAY-647674
csChFnd80/10101909502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
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M  END
>  <Mol_ID> (3,915)
3919

>  <Formula> (3,915)
C17H18BrNO2S

>  <MolWeight> (3,915)
380.29932

>  <PCAT_CMPD_ID> (3,915)
WAY-647674

>  <CNC_ID> (3,915)
359352052

>  <transfer_container_id> (3,915)
PTN000000068

>  <COMPOUND_NUMBER> (3,915)
WAY-647674

>  <LOCATION_CODE> (3,915)
PTNCS

>  <AMOUNT_CURRENT> (3,915)
32.7

$$$$
WAY-648437
csChFnd80/10101909502D

 11 12  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (3,916)
3920

>  <Formula> (3,916)
C9H14N2

>  <MolWeight> (3,916)
150.22086

>  <PCAT_CMPD_ID> (3,916)
WAY-648437

>  <CNC_ID> (3,916)
359352815

>  <transfer_container_id> (3,916)
PTN000000068

>  <COMPOUND_NUMBER> (3,916)
WAY-648437

>  <LOCATION_CODE> (3,916)
PTNCS

>  <AMOUNT_CURRENT> (3,916)
33

$$$$
WAY-339715
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,917)
3921

>  <Formula> (3,917)
C23H23ClN6O3S

>  <MolWeight> (3,917)
498.98512

>  <PCAT_CMPD_ID> (3,917)
WAY-339715

>  <CNC_ID> (3,917)
359360332

>  <transfer_container_id> (3,917)
PTN000000069

>  <COMPOUND_NUMBER> (3,917)
WAY-339715

>  <LOCATION_CODE> (3,917)
PTNCS

>  <AMOUNT_CURRENT> (3,917)
32.5

$$$$
WAY-615652
csChFnd80/10101909502D

 16 18  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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 12  9  1  0  0  0  0
 13  3  1  0  0  0  0
 14  4  1  0  0  0  0
 15 16  1  0  0  0  0
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  4  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (3,918)
3922

>  <Formula> (3,918)
C10H8N2O4

>  <MolWeight> (3,918)
220.18152

>  <PCAT_CMPD_ID> (3,918)
WAY-615652

>  <CNC_ID> (3,918)
359376374

>  <transfer_container_id> (3,918)
PTN000000070

>  <COMPOUND_NUMBER> (3,918)
WAY-615652

>  <LOCATION_CODE> (3,918)
PTNCS

>  <AMOUNT_CURRENT> (3,918)
32.8

$$$$
WAY-320497
csChFnd80/10101909502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
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 16  8  2  0  0  0  0
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 18  5  1  0  0  0  0
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 20 14  1  0  0  0  0
 21  7  1  0  0  0  0
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  5  7  2  0  0  0  0
 25 26  1  0  0  0  0
 15 13  2  0  0  0  0
M  END
>  <Mol_ID> (3,919)
3923

>  <Formula> (3,919)
C19H17NO5S

>  <MolWeight> (3,919)
371.40698

>  <PCAT_CMPD_ID> (3,919)
WAY-320497

>  <CNC_ID> (3,919)
359384818

>  <transfer_container_id> (3,919)
PTN000000071

>  <COMPOUND_NUMBER> (3,919)
WAY-320497

>  <LOCATION_CODE> (3,919)
PTNCS

>  <AMOUNT_CURRENT> (3,919)
32.5

$$$$
WAY-296755-A
csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,920)
3924

>  <Formula> (3,920)
C13H19N2O4+

>  <MolWeight> (3,920)
267.30096

>  <PCAT_CMPD_ID> (3,920)
WAY-296755-A

>  <CNC_ID> (3,920)
359343199

>  <transfer_container_id> (3,920)
PTN000000068

>  <COMPOUND_NUMBER> (3,920)
WAY-296755-A

>  <LOCATION_CODE> (3,920)
PTNCS

>  <AMOUNT_CURRENT> (3,920)
33.1

$$$$

csChFnd80/10101909502D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,921)
3925

>  <Formula> (3,921)
C14H13NO4

>  <MolWeight> (3,921)
259.25732

>  <PCAT_CMPD_ID> (3,921)
CL-505349

>  <CNC_ID> (3,921)
359339965

>  <transfer_container_id> (3,921)
PTN000000068

>  <COMPOUND_NUMBER> (3,921)
CL-505349

>  <LOCATION_CODE> (3,921)
PTNCS

>  <AMOUNT_CURRENT> (3,921)
33.3

$$$$
WL-16605
csChFnd80/10101909502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (3,922)
3926

>  <Formula> (3,922)
C17H23NO2

>  <MolWeight> (3,922)
273.37002

>  <PCAT_CMPD_ID> (3,922)
WL-16605

>  <transfer_container_id> (3,922)
PTN000000068

>  <COMPOUND_NUMBER> (3,922)
WL-16605-A

>  <LOCATION_CODE> (3,922)
PTNCS

>  <AMOUNT_CURRENT> (3,922)
33.4

$$$$

csChFnd80/10101909502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3,923)
3927

>  <Formula> (3,923)
C10H12N2O2S

>  <MolWeight> (3,923)
224.27948

>  <PCAT_CMPD_ID> (3,923)
WAY-341762

>  <CNC_ID> (3,923)
359318897

>  <transfer_container_id> (3,923)
PTN000000065

>  <COMPOUND_NUMBER> (3,923)
WAY-341762

>  <LOCATION_CODE> (3,923)
PTNCS

>  <AMOUNT_CURRENT> (3,923)
32.7

$$$$
WAY-271659
csChFnd80/10101909502D

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M  END
>  <Mol_ID> (3,924)
3928

>  <Formula> (3,924)
C20H17ClN2O3S

>  <MolWeight> (3,924)
400.87858

>  <PCAT_CMPD_ID> (3,924)
WAY-271659

>  <CNC_ID> (3,924)
359381182

>  <transfer_container_id> (3,924)
PTN000000071

>  <COMPOUND_NUMBER> (3,924)
WAY-271659

>  <LOCATION_CODE> (3,924)
PTNCS

>  <AMOUNT_CURRENT> (3,924)
32.5

$$$$
