1-7364
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
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1-7364

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1-211804
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
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1-211804

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1-302325
     RDKit          3D

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M  CHG  2  16   1  18  -1
M  END
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1-302325

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A

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1-330465
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>  (4) 
1-330465

>  <Family>  (4) 
A

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1-372950
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
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1-372950

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1-372955
     RDKit          3D

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M  END
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2-24a
     RDKit          3D

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M  END
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2-24a

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A

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0.120000

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3-8
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
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3-8

>  <Family>  (8) 
A

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0.850000

>  <TG_uM>  (8) 
0.013000

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0.015000

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0

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$$$$
4-4a
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>  (9) 
4-4a

>  <Family>  (9) 
A

>  <PC_uM>  (9) 
2.800000

>  <TG_uM>  (9) 
0.310000

>  <RL_uM>  (9) 
18.900000

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0

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$$$$
4-4b
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>  (10) 
4-4b

>  <Family>  (10) 
A

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10.600000

>  <TG_uM>  (10) 
N/A

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0

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$$$$
4-4c
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
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4-4c

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A

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4.600000

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$$$$
4-10a
     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <Name>  (12) 
4-10a

>  <Family>  (12) 
A

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$$$$
4-10b
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>  (13) 
4-10b

>  <Family>  (13) 
A

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10.200000

>  <TG_uM>  (13) 
N/A

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>4

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0

>  <Similarity>  (13) 
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$$$$
4-10c
     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>  (14) 
4-10c

>  <Family>  (14) 
A

>  <PC_uM>  (14) 
2.800000

>  <TG_uM>  (14) 
N/A

>  <RL_uM>  (14) 
1.800000

>  <set>  (14) 
0

>  <Similarity>  (14) 
0.71522453450164292

$$$$
4-10d
     RDKit          3D

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M  END
>  <Name>  (15) 
4-10d

>  <Family>  (15) 
A

>  <PC_uM>  (15) 
18.200000

>  <TG_uM>  (15) 
N/A

>  <RL_uM>  (15) 
17.300000

>  <set>  (15) 
1

>  <Similarity>  (15) 
0.73124300111982088

$$$$
4-10e
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>  (16) 
4-10e

>  <Family>  (16) 
A

>  <PC_uM>  (16) 
29.300000

>  <TG_uM>  (16) 
N/A

>  <RL_uM>  (16) 
17.700000

>  <set>  (16) 
0

>  <Similarity>  (16) 
0.76196032672112024

$$$$
4-10f
     RDKit          3D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Name>  (17) 
4-10f

>  <Family>  (17) 
A

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N/A

>  <RL_uM>  (17) 
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>  <Similarity>  (17) 
0.73124300111982088

$$$$
4-10g
     RDKit          3D

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  1  2  2  0
  1  6  1  0
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  2 13  1  0
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 18 19  2  0
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 21 22  1  0
 22 23  1  0
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M  END
>  <Name>  (18) 
4-10g

>  <Family>  (18) 
A

>  <PC_uM>  (18) 
>11

>  <TG_uM>  (18) 
N/A

>  <RL_uM>  (18) 
>11

>  <set>  (18) 
1

>  <Similarity>  (18) 
0.74628571428571433

$$$$
4-10h
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -4.5214   -0.3229   -0.1720 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6304   -1.5629    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6838   -2.1843    1.0036 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5350   -1.5060    1.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3200   -0.2036    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1523    2.1810    2.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210    1.4676    2.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  2 13  1  0
  3  4  2  0
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  4 17  1  0
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 11 12  2  0
 16 17  1  0
 18 19  2  0
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 21 24  1  0
 22 23  1  0
 22 25  1  0
 24 25  1  0
M  END
>  <Name>  (19) 
4-10h

>  <Family>  (19) 
A

>  <PC_uM>  (19) 
40.400000

>  <TG_uM>  (19) 
N/A

>  <RL_uM>  (19) 
66.800000

>  <set>  (19) 
0

>  <Similarity>  (19) 
0.73536036036036034

$$$$
4-10i
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -4.6429   -0.2449   -0.1546 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7910   -1.4765    0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8597   -2.1257    1.0277 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0533    1.4305    2.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
  4 17  1  0
  5  6  2  0
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 10 11  1  0
 10 15  1  0
 11 12  2  0
 16 17  1  0
 18 19  2  0
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 21 24  1  0
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 22 25  1  0
 24 25  1  0
 25 26  1  0
M  END
>  <Name>  (20) 
4-10i

>  <Family>  (20) 
A

>  <PC_uM>  (20) 
8.500000

>  <TG_uM>  (20) 
N/A

>  <RL_uM>  (20) 
16.200000

>  <set>  (20) 
1

>  <Similarity>  (20) 
0.72555555555555551

$$$$
4-10j
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -4.5612   -0.2707   -0.1443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7063   -1.5001    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7770   -2.1402    1.0555 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080   -1.4931    1.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3553   -0.2042    0.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3933    0.3579    0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0992    0.5139    1.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3001    1.9032    1.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919    2.1151    2.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9986    1.4246    2.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8819   -2.1447    0.1168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3215    1.6457   -0.4185 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8375   -2.0226    3.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2854   -1.3216   -2.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  1  6  1  0
  2  3  1  0
  2 13  1  0
  3  4  2  0
  4  5  1  0
  4 17  1  0
  5  6  2  0
  5  7  1  0
  6 14  1  0
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 10 11  1  0
 10 15  1  0
 11 12  2  0
 16 17  1  0
 18 19  2  0
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 21 24  1  0
 22 23  1  0
 22 25  1  0
 24 25  1  0
 25 26  1  0
M  END
>  <Name>  (21) 
4-10j

>  <Family>  (21) 
A

>  <PC_uM>  (21) 
3.300000

>  <TG_uM>  (21) 
N/A

>  <RL_uM>  (21) 
7.200000

>  <set>  (21) 
0

>  <Similarity>  (21) 
0.71055495103373234

$$$$
4-10k
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -4.4361   -0.3799   -0.2783 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5429   -1.6169    0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  1  6  1  0
  2  3  1  0
  2 13  1  0
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  6 14  1  0
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 10 11  1  0
 10 15  1  0
 11 12  2  0
 16 17  1  0
 18 19  2  0
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 20 23  1  0
 21 24  1  0
 22 23  1  0
 22 25  1  0
 24 25  1  0
M  END
>  <Name>  (22) 
4-10k

>  <Family>  (22) 
A

>  <PC_uM>  (22) 
1.700000

>  <TG_uM>  (22) 
N/A

>  <RL_uM>  (22) 
26.300000

>  <set>  (22) 
1

>  <Similarity>  (22) 
0.7386877828054299

$$$$
4-10l
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -4.9944   -0.3445   -0.9392 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1834   -1.5487   -0.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
 10 15  1  0
 11 12  2  0
 16 17  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
M  END
>  <Name>  (23) 
4-10l

>  <Family>  (23) 
A

>  <PC_uM>  (23) 
3.500000

>  <TG_uM>  (23) 
N/A

>  <RL_uM>  (23) 
27.900000

>  <set>  (23) 
0

>  <Similarity>  (23) 
0.7584204413472706

$$$$
4-10m
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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   -5.2211   -0.9568    0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7729   -3.2691   -2.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1151   -1.6777    0.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6857    2.5067    1.6430 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   -1.6647   -0.8325 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Name>  (24) 
4-10m

>  <Family>  (24) 
A

>  <PC_uM>  (24) 
11.500000

>  <TG_uM>  (24) 
N/A

>  <RL_uM>  (24) 
27.000000

>  <set>  (24) 
1

>  <Similarity>  (24) 
0.75057471264367814

$$$$
4-10n
     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -5.0144    0.2862    0.4796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2074   -0.9712    0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7102   -3.2672   -2.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0547   -1.6256    0.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8867   -1.7128   -0.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4193   -3.1197   -0.9518 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  6  1  0
  2  3  1  0
  2 13  1  0
  3  4  2  0
  4  5  1  0
  4 17  1  0
  5  6  2  0
  5  7  1  0
  6 14  1  0
  7  8  2  0
  7 12  1  0
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 10 11  1  0
 10 15  1  0
 11 12  2  0
 16 17  1  0
 18 19  2  0
 19 20  1  0
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 21 25  1  0
 22 23  1  0
 23 24  1  0
 25 26  1  0
M  END
>  <Name>  (25) 
4-10n

>  <Family>  (25) 
A

>  <PC_uM>  (25) 
2.500000

>  <TG_uM>  (25) 
N/A

>  <RL_uM>  (25) 
0.440000

>  <set>  (25) 
0

>  <Similarity>  (25) 
0.73702031602708806

$$$$
4-10o
     RDKit          3D

 27 28  0  0  0  0  0  0  0  0999 V2000
   -5.0415    0.2702    1.2385 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2097   -0.9742    0.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3514   -1.6103   -0.0023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2372   -0.9448   -0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6471    1.5224   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5614    2.4603   -1.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5140   -1.5734    0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3552   -2.1722   -0.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452   -2.5274    1.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  1  6  1  0
  2  3  1  0
  2 13  1  0
  3  4  2  0
  4  5  1  0
  4 17  1  0
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M  END
>  <Name>  (26) 
4-10o

>  <Family>  (26) 
A

>  <PC_uM>  (26) 
4.900000

>  <TG_uM>  (26) 
N/A

>  <RL_uM>  (26) 
10.300000

>  <set>  (26) 
0

>  <Similarity>  (26) 
0.72314507198228128

$$$$
4-10q
     RDKit          3D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -4.9998    0.3138    0.5176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2229   -0.9391    0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3703   -1.6619   -0.6019 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  1  6  1  0
  2  3  1  0
  2 13  1  0
  3  4  2  0
  4  5  1  0
  4 17  1  0
  5  6  2  0
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 10 11  1  0
 10 15  1  0
 11 12  2  0
 16 17  1  0
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 21 25  1  0
 22 23  1  0
 23 24  1  0
 25 26  1  0
M  END
>  <Name>  (27) 
4-10q

>  <Family>  (27) 
A

>  <PC_uM>  (27) 
0.440000

>  <TG_uM>  (27) 
N/A

>  <RL_uM>  (27) 
5.000000

>  <set>  (27) 
0

>  <Similarity>  (27) 
0.74971297359357059

$$$$
4-10r
     RDKit          3D

 28 29  0  0  0  0  0  0  0  0999 V2000
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   -5.5823   -0.7901   -0.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  1  6  1  0
  2  3  1  0
  2 13  1  0
  3  4  2  0
  4  5  1  0
  4 17  1  0
  5  6  2  0
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 10 11  1  0
 10 15  1  0
 11 12  2  0
 16 17  1  0
 18 19  2  0
 19 20  1  0
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 24 27  1  0
 25 26  1  0
 26 28  1  0
M  END
>  <Name>  (28) 
4-10r

>  <Family>  (28) 
A

>  <PC_uM>  (28) 
0.910000

>  <TG_uM>  (28) 
N/A

>  <RL_uM>  (28) 
26.100000

>  <set>  (28) 
0

>  <Similarity>  (28) 
0.74120317820658344

$$$$
4-10s
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   -5.5487   -1.3560   -0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Name>  (29) 
4-10s

>  <Family>  (29) 
A

>  <PC_uM>  (29) 
0.570000

>  <TG_uM>  (29) 
N/A

>  <RL_uM>  (29) 
0.500000

>  <set>  (29) 
2

>  <Similarity>  (29) 
0.70978260869565213

$$$$
