comp002
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
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M  CHG  1  32   1
M  END
> <Name>
comp002

> <EC_gyr_IC50>
12.22

$$$$
comp003
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
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M  CHG  1  32   1
M  END
> <Name>
comp003

> <EC_gyr_IC50>
11.7

$$$$
comp006
  SciTegic12152312193D

 57 60  0  0  0  0            999 V2000
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M  CHG  1  27   1
M  END
> <Name>
comp006

> <EC_gyr_IC50>
40.6

$$$$
comp007
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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M  END
> <Name>
comp007

> <EC_gyr_IC50>
7.83

$$$$
comp008
  SciTegic12152312193D

 61 64  0  0  0  0            999 V2000
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M  CHG  1  28   1
M  END
> <Name>
comp008

> <EC_gyr_IC50>
56.56

$$$$
comp009
  SciTegic12152312193D

 61 64  0  0  0  0            999 V2000
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> <Name>
comp009

> <EC_gyr_IC50>
100

$$$$
comp010
  SciTegic12152312193D

 57 60  0  0  0  0            999 V2000
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> <Name>
comp010

> <EC_gyr_IC50>
0.28

$$$$
comp011
  SciTegic12152312193D

 65 68  0  0  0  0            999 V2000
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 25 63  1  0
 29 64  1  0
 29 65  1  0
M  CHG  1  29   1
M  END
> <Name>
comp011

> <EC_gyr_IC50>
11.89

$$$$
comp012
  SciTegic12152312193D

 60 63  0  0  0  0            999 V2000
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 28 59  1  0
 28 60  1  0
M  CHG  1  28   1
M  END
> <Name>
comp012

> <EC_gyr_IC50>
7.24

$$$$
comp013
  SciTegic12152312193D

 57 60  0  0  0  0            999 V2000
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 23 55  1  0
 27 56  1  0
 27 57  1  0
M  CHG  1  27   1
M  END
> <Name>
comp013

> <EC_gyr_IC50>
1.71

$$$$
comp014
  SciTegic12152312193D

 57 60  0  0  0  0            999 V2000
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    0.9173   -0.6585   -4.8194 C   0  0  0  0  0  0  0  0  0  9  0  0
    2.2621   -3.2895    5.1276 C   0  0  0  0  0  0  0  0  0 10  0  0
    3.0789   -4.9839    6.5899 C   0  0  0  0  0  0  0  0  0 11  0  0
    3.2018   -4.2823    5.3777 C   0  0  0  0  0  0  0  0  0 12  0  0
    1.2631    0.8538   -7.1380 C   0  0  0  0  0  0  0  0  0 13  0  0
    5.0628   -5.5118    4.7699 C   0  0  0  0  0  0  0  0  0 14  0  0
    0.8629   -0.6749    0.0562 C   0  0  0  0  0  0  0  0  0 15  0  0
    2.0413   -2.5835   -1.0646 C   0  0  0  0  0  0  0  0  0 16  0  0
    0.7638   -1.5320    1.3193 C   0  0  0  0  0  0  0  0  0 17  0  0
    1.9045   -3.3772    0.2359 C   0  0  0  0  0  0  0  0  0 18  0  0
    0.9291   -1.5439   -1.2001 C   0  0  0  0  0  0  0  0  0 19  0  0
    6.0280   -4.9561    2.6686 C   0  0  0  0  0  0  0  0  0 20  0  0
    2.3157   -2.4871    3.8508 C   0  0  0  0  0  0  0  0  0 21  0  0
    0.7311   -1.4724   -3.5716 C   0  0  0  0  0  0  0  0  0 22  0  0
    1.7998   -3.2601    2.6395 C   0  0  0  0  0  0  0  0  0 23  0  0
    2.1065   -4.7283    7.4870 N   0  0  0  0  0  0  0  0  0 24  0  0
    4.1743   -4.5379    4.4806 N   0  0  0  0  0  0  0  0  0 25  0  0
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    1.1209   -0.7374   -2.3796 N   0  3  0  0  0  0  0  0  0 27  0  0
    6.0435   -5.7556    3.8456 O   0  0  0  0  0  0  0  0  0 28  0  0
    1.4968    1.8790   -8.7083 Br  0  0  0  0  0  0  0  0  0 29  0  0
   -1.0713    0.1831   -4.7625 H   0  0  0  0  0  0  0  0  0 30  0  0
    2.9464   -1.3235   -5.1459 H   0  0  0  0  0  0  0  0  0 31  0  0
    3.9699   -6.5509    7.7628 H   0  0  0  0  0  0  0  0  0 32  0  0
   -0.7701    1.5180   -6.8044 H   0  0  0  0  0  0  0  0  0 33  0  0
    3.2542    0.0069   -7.1900 H   0  0  0  0  0  0  0  0  0 34  0  0
    5.7590   -7.0314    6.1307 H   0  0  0  0  0  0  0  0  0 35  0  0
    0.5134   -2.2381    5.8539 H   0  0  0  0  0  0  0  0  0 36  0  0
    0.4547   -3.5859    7.9500 H   0  0  0  0  0  0  0  0  0 37  0  0
   -0.0167   -0.0258   -0.0065 H   0  0  0  0  0  0  0  0  0 38  0  0
    1.7357   -0.0192    0.1205 H   0  0  0  0  0  0  0  0  0 39  0  0
    3.0256   -2.1082   -1.1075 H   0  0  0  0  0  0  0  0  0 40  0  0
    1.9878   -3.2743   -1.9128 H   0  0  0  0  0  0  0  0  0 41  0  0
    0.7270   -0.8909    2.2098 H   0  0  0  0  0  0  0  0  0 42  0  0
   -0.1848   -2.0822    1.2810 H   0  0  0  0  0  0  0  0  0 43  0  0
    0.9660   -3.9438    0.1889 H   0  0  0  0  0  0  0  0  0 44  0  0
    2.7180   -4.1098    0.3192 H   0  0  0  0  0  0  0  0  0 45  0  0
   -0.0366   -2.0785   -1.3065 H   0  0  0  0  0  0  0  0  0 46  0  0
    6.8558   -5.2483    2.0179 H   0  0  0  0  0  0  0  0  0 47  0  0
    6.1198   -3.9019    2.9419 H   0  0  0  0  0  0  0  0  0 48  0  0
    5.0824   -5.1136    2.1444 H   0  0  0  0  0  0  0  0  0 49  0  0
    3.3558   -2.1858    3.6725 H   0  0  0  0  0  0  0  0  0 50  0  0
    1.7486   -1.5556    3.9739 H   0  0  0  0  0  0  0  0  0 51  0  0
   -0.3171   -1.7693   -3.4571 H   0  0  0  0  0  0  0  0  0 52  0  0
    1.3270   -2.3904   -3.6086 H   0  0  0  0  0  0  0  0  0 53  0  0
    2.4033   -4.1605    2.4871 H   0  0  0  0  0  0  0  0  0 54  0  0
    0.7567   -3.5663    2.7701 H   0  0  0  0  0  0  0  0  0 55  0  0
    0.5240    0.1472   -2.3013 H   0  0  0  0  0  0  0  0  0 56  0  0
    2.1531   -0.4662   -2.4558 H   0  0  0  0  0  0  0  0  0 57  0  0
  1  4  1  0
  1  9  2  0
  2  5  2  0
  2  9  1  0
  3  6  2  0
  3 11  1  0
  4 13  2  0
  5 13  1  0
  6 14  1  0
  7  8  1  0
  7 10  2  0
  8 24  2  0
  9 22  1  0
 10 12  1  0
 10 21  1  0
 11 12  2  0
 11 24  1  0
 12 25  1  0
 13 29  1  0
 14 25  2  0
 14 28  1  0
 15 17  1  0
 15 19  1  0
 16 18  1  0
 16 19  1  0
 17 26  1  0
 18 26  1  0
 19 27  1  0
 20 28  1  0
 21 23  1  0
 22 27  1  0
 23 26  1  0
  1 30  1  0
  2 31  1  0
  3 32  1  0
  4 33  1  0
  5 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  0
 15 38  1  0
 15 39  1  0
 16 40  1  0
 16 41  1  0
 17 42  1  0
 17 43  1  0
 18 44  1  0
 18 45  1  0
 19 46  1  0
 20 47  1  0
 20 48  1  0
 20 49  1  0
 21 50  1  0
 21 51  1  0
 22 52  1  0
 22 53  1  0
 23 54  1  0
 23 55  1  0
 27 56  1  0
 27 57  1  0
M  CHG  1  27   1
M  END
> <Name>
comp014

> <EC_gyr_IC50>
0.57

$$$$
comp016
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
    4.0185   -5.9766    6.8401 C   0  0  0  0  0  0  0  0  0  1  0  0
    3.5420   -0.3581   -8.1055 C   0  0  0  0  0  0  0  0  0  2  0  0
    2.0380    1.4274   -8.7277 C   0  0  0  0  0  0  0  0  0  3  0  0
    4.3007   -0.1182   -9.2511 C   0  0  0  0  0  0  0  0  0  4  0  0
    2.7968    1.6674   -9.8733 C   0  0  0  0  0  0  0  0  0  5  0  0
    5.0290   -6.2559    5.9288 C   0  0  0  0  0  0  0  0  0  6  0  0
    1.2517   -3.0103    6.0390 C   0  0  0  0  0  0  0  0  0  7  0  0
    1.2180   -3.7544    7.1979 C   0  0  0  0  0  0  0  0  0  8  0  0
    0.1158    0.3996   -5.2882 C   0  0  0  0  0  0  0  0  0  9  0  0
    1.9099   -0.7806   -5.7609 C   0  0  0  0  0  0  0  0  0 10  0  0
    2.2621   -3.2895    5.1276 C   0  0  0  0  0  0  0  0  0 11  0  0
    0.9173   -0.6585   -4.8194 C   0  0  0  0  0  0  0  0  0 12  0  0
    3.0789   -4.9839    6.5899 C   0  0  0  0  0  0  0  0  0 13  0  0
    3.2018   -4.2823    5.3777 C   0  0  0  0  0  0  0  0  0 14  0  0
    2.4106    0.4147   -7.8438 C   0  0  0  0  0  0  0  0  0 15  0  0
    3.9281    0.8946  -10.1349 C   0  0  0  0  0  0  0  0  0 16  0  0
    5.0628   -5.5118    4.7699 C   0  0  0  0  0  0  0  0  0 17  0  0
    0.8629   -0.6749    0.0562 C   0  0  0  0  0  0  0  0  0 18  0  0
    2.0413   -2.5835   -1.0646 C   0  0  0  0  0  0  0  0  0 19  0  0
    0.7638   -1.5320    1.3193 C   0  0  0  0  0  0  0  0  0 20  0  0
    1.9045   -3.3772    0.2359 C   0  0  0  0  0  0  0  0  0 21  0  0
    0.9291   -1.5439   -1.2001 C   0  0  0  0  0  0  0  0  0 22  0  0
    6.0280   -4.9561    2.6686 C   0  0  0  0  0  0  0  0  0 23  0  0
    2.3157   -2.4871    3.8508 C   0  0  0  0  0  0  0  0  0 24  0  0
    0.7311   -1.4724   -3.5716 C   0  0  0  0  0  0  0  0  0 25  0  0
    1.7998   -3.2601    2.6395 C   0  0  0  0  0  0  0  0  0 26  0  0
    2.1065   -4.7283    7.4870 N   0  0  0  0  0  0  0  0  0 27  0  0
    0.5609    0.9134   -6.4380 N   0  0  0  0  0  0  0  0  0 28  0  0
    4.1743   -4.5379    4.4806 N   0  0  0  0  0  0  0  0  0 29  0  0
    1.6529    0.1749   -6.6995 N   0  0  0  0  0  0  0  0  0 30  0  0
    1.8803   -2.4838    1.4023 N   0  0  0  0  0  0  0  0  0 31  0  0
    1.1209   -0.7374   -2.3796 N   0  3  0  0  0  0  0  0  0 32  0  0
    6.0435   -5.7556    3.8456 O   0  0  0  0  0  0  0  0  0 33  0  0
    4.6568    1.1250  -11.2350 F   0  0  0  0  0  0  0  0  0 34  0  0
    3.9699   -6.5509    7.7628 H   0  0  0  0  0  0  0  0  0 35  0  0
    3.8436   -1.1512   -7.4256 H   0  0  0  0  0  0  0  0  0 36  0  0
    1.1590    2.0379   -8.5353 H   0  0  0  0  0  0  0  0  0 37  0  0
    5.1811   -0.7201   -9.4557 H   0  0  0  0  0  0  0  0  0 38  0  0
    2.5078    2.4562  -10.5613 H   0  0  0  0  0  0  0  0  0 39  0  0
    5.7590   -7.0314    6.1307 H   0  0  0  0  0  0  0  0  0 40  0  0
    0.5134   -2.2381    5.8539 H   0  0  0  0  0  0  0  0  0 41  0  0
    0.4547   -3.5859    7.9500 H   0  0  0  0  0  0  0  0  0 42  0  0
   -0.7744    0.8196   -4.8418 H   0  0  0  0  0  0  0  0  0 43  0  0
    2.7552   -1.4523   -5.8355 H   0  0  0  0  0  0  0  0  0 44  0  0
   -0.0167   -0.0258   -0.0065 H   0  0  0  0  0  0  0  0  0 45  0  0
    1.7357   -0.0192    0.1205 H   0  0  0  0  0  0  0  0  0 46  0  0
    3.0256   -2.1082   -1.1075 H   0  0  0  0  0  0  0  0  0 47  0  0
    1.9878   -3.2743   -1.9128 H   0  0  0  0  0  0  0  0  0 48  0  0
    0.7270   -0.8909    2.2098 H   0  0  0  0  0  0  0  0  0 49  0  0
   -0.1848   -2.0822    1.2810 H   0  0  0  0  0  0  0  0  0 50  0  0
    0.9660   -3.9438    0.1889 H   0  0  0  0  0  0  0  0  0 51  0  0
    2.7180   -4.1098    0.3192 H   0  0  0  0  0  0  0  0  0 52  0  0
   -0.0366   -2.0785   -1.3065 H   0  0  0  0  0  0  0  0  0 53  0  0
    6.8558   -5.2483    2.0179 H   0  0  0  0  0  0  0  0  0 54  0  0
    6.1198   -3.9019    2.9419 H   0  0  0  0  0  0  0  0  0 55  0  0
    5.0824   -5.1136    2.1444 H   0  0  0  0  0  0  0  0  0 56  0  0
    3.3558   -2.1858    3.6725 H   0  0  0  0  0  0  0  0  0 57  0  0
    1.7486   -1.5556    3.9739 H   0  0  0  0  0  0  0  0  0 58  0  0
   -0.3171   -1.7693   -3.4571 H   0  0  0  0  0  0  0  0  0 59  0  0
    1.3270   -2.3904   -3.6086 H   0  0  0  0  0  0  0  0  0 60  0  0
    2.4033   -4.1605    2.4871 H   0  0  0  0  0  0  0  0  0 61  0  0
    0.7567   -3.5663    2.7701 H   0  0  0  0  0  0  0  0  0 62  0  0
    0.5240    0.1472   -2.3013 H   0  0  0  0  0  0  0  0  0 63  0  0
    2.1531   -0.4662   -2.4558 H   0  0  0  0  0  0  0  0  0 64  0  0
  1  6  2  0
  1 13  1  0
  2  4  1  0
  2 15  2  0
  3  5  2  0
  3 15  1  0
  4 16  2  0
  5 16  1  0
  6 17  1  0
  7  8  1  0
  7 11  2  0
  8 27  2  0
  9 12  1  0
  9 28  2  0
 10 12  2  0
 10 30  1  0
 11 14  1  0
 11 24  1  0
 12 25  1  0
 13 14  2  0
 13 27  1  0
 14 29  1  0
 15 30  1  0
 16 34  1  0
 17 29  2  0
 17 33  1  0
 18 20  1  0
 18 22  1  0
 19 21  1  0
 19 22  1  0
 20 31  1  0
 21 31  1  0
 22 32  1  0
 23 33  1  0
 24 26  1  0
 25 32  1  0
 26 31  1  0
 28 30  1  0
  1 35  1  0
  2 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  6 40  1  0
  7 41  1  0
  8 42  1  0
  9 43  1  0
 10 44  1  0
 18 45  1  0
 18 46  1  0
 19 47  1  0
 19 48  1  0
 20 49  1  0
 20 50  1  0
 21 51  1  0
 21 52  1  0
 22 53  1  0
 23 54  1  0
 23 55  1  0
 23 56  1  0
 24 57  1  0
 24 58  1  0
 25 59  1  0
 25 60  1  0
 26 61  1  0
 26 62  1  0
 32 63  1  0
 32 64  1  0
M  CHG  1  32   1
M  END
> <Name>
comp016

> <EC_gyr_IC50>
13.27

$$$$
comp017
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
   -0.6976    3.8958   -8.8668 C   0  0  0  0  0  0  0  0  0  1  0  0
   -1.3766    3.5665   -7.6937 C   0  0  0  0  0  0  0  0  0  2  0  0
    0.4490    3.1896   -9.2306 C   0  0  0  0  0  0  0  0  0  3  0  0
    4.0185   -5.9766    6.8401 C   0  0  0  0  0  0  0  0  0  4  0  0
   -0.9091    2.5311   -6.8844 C   0  0  0  0  0  0  0  0  0  5  0  0
    0.9166    2.1542   -8.4213 C   0  0  0  0  0  0  0  0  0  6  0  0
    5.0290   -6.2559    5.9288 C   0  0  0  0  0  0  0  0  0  7  0  0
    1.2517   -3.0103    6.0390 C   0  0  0  0  0  0  0  0  0  8  0  0
    1.2180   -3.7544    7.1979 C   0  0  0  0  0  0  0  0  0  9  0  0
    1.9330   -0.7801   -5.7866 C   0  0  0  0  0  0  0  0  0 10  0  0
    0.1328    0.3735   -5.2733 C   0  0  0  0  0  0  0  0  0 11  0  0
    2.2621   -3.2895    5.1276 C   0  0  0  0  0  0  0  0  0 12  0  0
    0.9173   -0.6585   -4.8194 C   0  0  0  0  0  0  0  0  0 13  0  0
    3.0789   -4.9839    6.5899 C   0  0  0  0  0  0  0  0  0 14  0  0
    3.2018   -4.2823    5.3777 C   0  0  0  0  0  0  0  0  0 15  0  0
    0.2376    1.8250   -7.2482 C   0  0  0  0  0  0  0  0  0 16  0  0
    5.0628   -5.5118    4.7699 C   0  0  0  0  0  0  0  0  0 17  0  0
    0.8629   -0.6749    0.0562 C   0  0  0  0  0  0  0  0  0 18  0  0
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    0.9291   -1.5439   -1.2001 C   0  0  0  0  0  0  0  0  0 22  0  0
    6.0280   -4.9561    2.6686 C   0  0  0  0  0  0  0  0  0 23  0  0
    2.3157   -2.4871    3.8508 C   0  0  0  0  0  0  0  0  0 24  0  0
    0.7311   -1.4724   -3.5716 C   0  0  0  0  0  0  0  0  0 25  0  0
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   -1.0622    4.7007   -9.4981 H   0  0  0  0  0  0  0  0  0 34  0  0
   -2.2701    4.1153   -7.4109 H   0  0  0  0  0  0  0  0  0 35  0  0
    0.9764    3.4458  -10.1450 H   0  0  0  0  0  0  0  0  0 36  0  0
    3.9699   -6.5509    7.7628 H   0  0  0  0  0  0  0  0  0 37  0  0
   -1.4482    2.2841   -5.9731 H   0  0  0  0  0  0  0  0  0 38  0  0
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    2.7603   -1.4752   -5.8113 H   0  0  0  0  0  0  0  0  0 43  0  0
   -0.7614    0.8314   -4.8707 H   0  0  0  0  0  0  0  0  0 44  0  0
   -0.0167   -0.0258   -0.0065 H   0  0  0  0  0  0  0  0  0 45  0  0
    1.7357   -0.0192    0.1205 H   0  0  0  0  0  0  0  0  0 46  0  0
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  1  2  2  0
  1  3  1  0
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 28 30  1  0
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 25 59  1  0
 25 60  1  0
 26 61  1  0
 26 62  1  0
 32 63  1  0
 32 64  1  0
M  CHG  1  32   1
M  END
> <Name>
comp017

> <EC_gyr_IC50>
3

$$$$
comp020
  SciTegic12152312193D

 63 66  0  0  0  0            999 V2000
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  1  2  2  0
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  2 11  1  0
  3  4  1  0
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  5  8  1  0
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  6  8  2  0
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  8 21  1  0
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 17 23  1  0
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 20 22  1  0
 21 29  1  0
 22 28  1  0
 23 27  1  0
 25 27  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
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  5 35  1  0
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 12 37  1  0
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 21 57  1  0
 21 58  1  0
 22 59  1  0
 22 60  1  0
 23 61  1  0
 29 62  1  0
 29 63  1  0
M  CHG  1  29   1
M  END
> <Name>
comp020

> <EC_gyr_IC50>
2.95

$$$$
comp021
  SciTegic12152312193D

 65 68  0  0  0  0            999 V2000
    1.9911   -0.9214   -5.6700 C   0  0  0  0  0  0  0  0  0  1  0  0
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    3.2018   -4.2823    5.3777 C   0  0  0  0  0  0  0  0  0 11  0  0
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  1  3  1  0
  1  8  2  0
  2  4  2  0
  2 10  1  0
  3 12  2  0
  4 14  1  0
  5  7  1  0
  5  9  2  0
  6  8  1  0
  6 13  2  0
  7 26  2  0
  8 23  1  0
  9 11  1  0
  9 22  1  0
 10 11  2  0
 10 26  1  0
 11 27  1  0
 12 13  1  0
 12 31  1  0
 13 30  1  0
 14 27  2  0
 14 32  1  0
 15 17  1  0
 15 19  1  0
 16 18  1  0
 16 19  1  0
 17 28  1  0
 18 28  1  0
 19 29  1  0
 20 30  1  0
 21 32  1  0
 22 24  1  0
 23 29  1  0
 24 28  1  0
 25 31  1  0
 25 33  1  0
 25 34  1  0
  1 35  1  0
  2 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  6 40  1  0
  7 41  1  0
 15 42  1  0
 15 43  1  0
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 23 59  1  0
 23 60  1  0
 24 61  1  0
 24 62  1  0
 25 63  1  0
 29 64  1  0
 29 65  1  0
M  CHG  1  29   1
M  END
> <Name>
comp021

> <EC_gyr_IC50>
3.9

$$$$
comp022
  SciTegic12152312193D

 62 65  0  0  0  0            999 V2000
    0.0164    0.3606   -5.1284 C   0  0  0  0  0  0  0  0  0  1  0  0
    4.0185   -5.9766    6.8401 C   0  0  0  0  0  0  0  0  0  2  0  0
    0.1908    1.1183   -6.2865 C   0  0  0  0  0  0  0  0  0  3  0  0
    5.0290   -6.2559    5.9288 C   0  0  0  0  0  0  0  0  0  4  0  0
    1.2517   -3.0103    6.0390 C   0  0  0  0  0  0  0  0  0  5  0  0
    1.9925   -0.9201   -5.6686 C   0  0  0  0  0  0  0  0  0  6  0  0
    1.2180   -3.7544    7.1979 C   0  0  0  0  0  0  0  0  0  7  0  0
    0.9173   -0.6585   -4.8194 C   0  0  0  0  0  0  0  0  0  8  0  0
    2.2621   -3.2895    5.1276 C   0  0  0  0  0  0  0  0  0  9  0  0
    3.0789   -4.9839    6.5899 C   0  0  0  0  0  0  0  0  0 10  0  0
    3.2018   -4.2823    5.3777 C   0  0  0  0  0  0  0  0  0 11  0  0
    1.2660    0.8567   -7.1357 C   0  0  0  0  0  0  0  0  0 12  0  0
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    5.0628   -5.5118    4.7699 C   0  0  0  0  0  0  0  0  0 14  0  0
    0.8629   -0.6749    0.0562 C   0  0  0  0  0  0  0  0  0 15  0  0
    2.0413   -2.5835   -1.0646 C   0  0  0  0  0  0  0  0  0 16  0  0
    0.7638   -1.5320    1.3193 C   0  0  0  0  0  0  0  0  0 17  0  0
    1.9045   -3.3772    0.2359 C   0  0  0  0  0  0  0  0  0 18  0  0
    0.9291   -1.5439   -1.2001 C   0  0  0  0  0  0  0  0  0 19  0  0
    6.0280   -4.9561    2.6686 C   0  0  0  0  0  0  0  0  0 20  0  0
    2.3157   -2.4871    3.8508 C   0  0  0  0  0  0  0  0  0 21  0  0
    0.7311   -1.4724   -3.5716 C   0  0  0  0  0  0  0  0  0 22  0  0
    1.7998   -3.2601    2.6395 C   0  0  0  0  0  0  0  0  0 23  0  0
    0.9600    2.9472   -8.2281 C   0  0  0  0  0  0  0  0  0 24  0  0
    2.1065   -4.7283    7.4870 N   0  0  0  0  0  0  0  0  0 25  0  0
    4.1743   -4.5379    4.4806 N   0  0  0  0  0  0  0  0  0 26  0  0
    1.8803   -2.4838    1.4023 N   0  0  0  0  0  0  0  0  0 27  0  0
    1.1209   -0.7374   -2.3796 N   0  3  0  0  0  0  0  0  0 28  0  0
    3.2203   -0.4278   -7.6488 O   0  0  0  0  0  0  0  0  0 29  0  0
    1.4252    1.6039   -8.2638 O   0  0  0  0  0  0  0  0  0 30  0  0
    6.0435   -5.7556    3.8456 O   0  0  0  0  0  0  0  0  0 31  0  0
    1.7421    3.6728   -9.0684 F   0  0  0  0  0  0  0  0  0 32  0  0
   -0.2973    2.9965   -8.7329 F   0  0  0  0  0  0  0  0  0 33  0  0
   -0.8231    0.5726   -4.4718 H   0  0  0  0  0  0  0  0  0 34  0  0
    3.9699   -6.5509    7.7628 H   0  0  0  0  0  0  0  0  0 35  0  0
   -0.5149    1.9104   -6.5213 H   0  0  0  0  0  0  0  0  0 36  0  0
    5.7590   -7.0314    6.1307 H   0  0  0  0  0  0  0  0  0 37  0  0
    0.5134   -2.2381    5.8539 H   0  0  0  0  0  0  0  0  0 38  0  0
    2.6965   -1.7137   -5.4298 H   0  0  0  0  0  0  0  0  0 39  0  0
    0.4547   -3.5859    7.9500 H   0  0  0  0  0  0  0  0  0 40  0  0
   -0.0167   -0.0258   -0.0065 H   0  0  0  0  0  0  0  0  0 41  0  0
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    3.0256   -2.1082   -1.1075 H   0  0  0  0  0  0  0  0  0 43  0  0
    1.9878   -3.2743   -1.9128 H   0  0  0  0  0  0  0  0  0 44  0  0
    0.7270   -0.8909    2.2098 H   0  0  0  0  0  0  0  0  0 45  0  0
   -0.1848   -2.0822    1.2810 H   0  0  0  0  0  0  0  0  0 46  0  0
    0.9660   -3.9438    0.1889 H   0  0  0  0  0  0  0  0  0 47  0  0
    2.7180   -4.1098    0.3192 H   0  0  0  0  0  0  0  0  0 48  0  0
   -0.0366   -2.0785   -1.3065 H   0  0  0  0  0  0  0  0  0 49  0  0
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    1.7486   -1.5556    3.9739 H   0  0  0  0  0  0  0  0  0 54  0  0
   -0.3171   -1.7693   -3.4571 H   0  0  0  0  0  0  0  0  0 55  0  0
    1.3270   -2.3904   -3.6086 H   0  0  0  0  0  0  0  0  0 56  0  0
    2.4033   -4.1605    2.4871 H   0  0  0  0  0  0  0  0  0 57  0  0
    0.7567   -3.5663    2.7701 H   0  0  0  0  0  0  0  0  0 58  0  0
    1.0059    3.3982   -7.2311 H   0  0  0  0  0  0  0  0  0 59  0  0
    0.5240    0.1472   -2.3013 H   0  0  0  0  0  0  0  0  0 60  0  0
    3.7465   -1.1612   -7.2933 H   0  0  0  0  0  0  0  0  0 61  0  0
    2.1531   -0.4662   -2.4558 H   0  0  0  0  0  0  0  0  0 62  0  0
  1  3  1  0
  1  8  2  0
  2  4  2  0
  2 10  1  0
  3 12  2  0
  4 14  1  0
  5  7  1  0
  5  9  2  0
  6  8  1  0
  6 13  2  0
  7 25  2  0
  8 22  1  0
  9 11  1  0
  9 21  1  0
 10 11  2  0
 10 25  1  0
 11 26  1  0
 12 13  1  0
 12 30  1  0
 13 29  1  0
 14 26  2  0
 14 31  1  0
 15 17  1  0
 15 19  1  0
 16 18  1  0
 16 19  1  0
 17 27  1  0
 18 27  1  0
 19 28  1  0
 20 31  1  0
 21 23  1  0
 22 28  1  0
 23 27  1  0
 24 30  1  0
 24 32  1  0
 24 33  1  0
  1 34  1  0
  2 35  1  0
  3 36  1  0
  4 37  1  0
  5 38  1  0
  6 39  1  0
  7 40  1  0
 15 41  1  0
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 21 54  1  0
 22 55  1  0
 22 56  1  0
 23 57  1  0
 23 58  1  0
 24 59  1  0
 28 60  1  0
 29 61  1  0
 28 62  1  0
M  CHG  1  28   1
M  END
> <Name>
comp022

> <EC_gyr_IC50>
4.41

$$$$
comp023
  SciTegic12152312193D

 57 60  0  0  0  0            999 V2000
   -0.1226    0.1418   -5.2924 C   0  0  0  0  0  0  0  0  0  1  0  0
    2.1305   -0.7036   -5.5063 C   0  0  0  0  0  0  0  0  0  2  0  0
    0.3055   -3.5968    8.1797 C   0  0  0  0  0  0  0  0  0  3  0  0
    0.0507    0.8972   -6.4522 C   0  0  0  0  0  0  0  0  0  4  0  0
    2.3038    0.0517   -6.6661 C   0  0  0  0  0  0  0  0  0  5  0  0
   -0.6581   -2.6172    7.9767 C   0  0  0  0  0  0  0  0  0  6  0  0
    3.2257   -4.2692    5.3308 C   0  0  0  0  0  0  0  0  0  7  0  0
    3.1614   -4.9901    6.5029 C   0  0  0  0  0  0  0  0  0  8  0  0
    0.9173   -0.6585   -4.8194 C   0  0  0  0  0  0  0  0  0  9  0  0
    2.2621   -3.2895    5.1276 C   0  0  0  0  0  0  0  0  0 10  0  0
    1.2953   -3.8385    7.2348 C   0  0  0  0  0  0  0  0  0 11  0  0
    1.2722   -3.0477    6.0725 C   0  0  0  0  0  0  0  0  0 12  0  0
    1.2639    0.8521   -7.1390 C   0  0  0  0  0  0  0  0  0 13  0  0
   -0.5940   -1.8963    6.8046 C   0  0  0  0  0  0  0  0  0 14  0  0
    0.8629   -0.6749    0.0562 C   0  0  0  0  0  0  0  0  0 15  0  0
    2.0413   -2.5835   -1.0646 C   0  0  0  0  0  0  0  0  0 16  0  0
    0.7638   -1.5320    1.3193 C   0  0  0  0  0  0  0  0  0 17  0  0
    1.9045   -3.3772    0.2359 C   0  0  0  0  0  0  0  0  0 18  0  0
    0.9291   -1.5439   -1.2001 C   0  0  0  0  0  0  0  0  0 19  0  0
   -1.4094   -0.2102    5.3389 C   0  0  0  0  0  0  0  0  0 20  0  0
    2.3157   -2.4871    3.8508 C   0  0  0  0  0  0  0  0  0 21  0  0
    0.7311   -1.4724   -3.5716 C   0  0  0  0  0  0  0  0  0 22  0  0
    1.7998   -3.2601    2.6395 C   0  0  0  0  0  0  0  0  0 23  0  0
    2.2210   -4.7936    7.4508 N   0  0  0  0  0  0  0  0  0 24  0  0
    0.3464   -2.0926    5.8566 N   0  0  0  0  0  0  0  0  0 25  0  0
    1.8803   -2.4838    1.4023 N   0  0  0  0  0  0  0  0  0 26  0  0
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   -1.5259   -0.9216    6.5658 O   0  0  0  0  0  0  0  0  0 28  0  0
    1.4296    1.5753   -8.2543 F   0  0  0  0  0  0  0  0  0 29  0  0
   -1.0712    0.1841   -4.7637 H   0  0  0  0  0  0  0  0  0 30  0  0
    2.9462   -1.3246   -5.1454 H   0  0  0  0  0  0  0  0  0 31  0  0
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   -0.7589    1.5198   -6.8208 H   0  0  0  0  0  0  0  0  0 33  0  0
    3.2483    0.0172   -7.2008 H   0  0  0  0  0  0  0  0  0 34  0  0
   -1.4277   -2.4344    8.7179 H   0  0  0  0  0  0  0  0  0 35  0  0
    4.0024   -4.4660    4.6002 H   0  0  0  0  0  0  0  0  0 36  0  0
    3.8840   -5.7690    6.7220 H   0  0  0  0  0  0  0  0  0 37  0  0
   -0.0167   -0.0258   -0.0065 H   0  0  0  0  0  0  0  0  0 38  0  0
    1.7357   -0.0192    0.1205 H   0  0  0  0  0  0  0  0  0 39  0  0
    3.0256   -2.1082   -1.1075 H   0  0  0  0  0  0  0  0  0 40  0  0
    1.9878   -3.2743   -1.9128 H   0  0  0  0  0  0  0  0  0 41  0  0
    0.7270   -0.8909    2.2098 H   0  0  0  0  0  0  0  0  0 42  0  0
   -0.1848   -2.0822    1.2810 H   0  0  0  0  0  0  0  0  0 43  0  0
    0.9660   -3.9438    0.1889 H   0  0  0  0  0  0  0  0  0 44  0  0
    2.7180   -4.1098    0.3192 H   0  0  0  0  0  0  0  0  0 45  0  0
   -0.0366   -2.0785   -1.3065 H   0  0  0  0  0  0  0  0  0 46  0  0
   -2.2070    0.5336    5.2709 H   0  0  0  0  0  0  0  0  0 47  0  0
   -1.4776   -0.9107    4.5027 H   0  0  0  0  0  0  0  0  0 48  0  0
   -0.4406    0.2942    5.3110 H   0  0  0  0  0  0  0  0  0 49  0  0
    3.3558   -2.1858    3.6725 H   0  0  0  0  0  0  0  0  0 50  0  0
    1.7486   -1.5556    3.9739 H   0  0  0  0  0  0  0  0  0 51  0  0
   -0.3171   -1.7693   -3.4571 H   0  0  0  0  0  0  0  0  0 52  0  0
    1.3270   -2.3904   -3.6086 H   0  0  0  0  0  0  0  0  0 53  0  0
    2.4033   -4.1605    2.4871 H   0  0  0  0  0  0  0  0  0 54  0  0
    0.7567   -3.5663    2.7701 H   0  0  0  0  0  0  0  0  0 55  0  0
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    2.1531   -0.4662   -2.4558 H   0  0  0  0  0  0  0  0  0 57  0  0
  1  4  1  0
  1  9  2  0
  2  5  2  0
  2  9  1  0
  3  6  2  0
  3 11  1  0
  4 13  2  0
  5 13  1  0
  6 14  1  0
  7  8  1  0
  7 10  2  0
  8 24  2  0
  9 22  1  0
 10 12  1  0
 10 21  1  0
 11 12  2  0
 11 24  1  0
 12 25  1  0
 13 29  1  0
 14 25  2  0
 14 28  1  0
 15 17  1  0
 15 19  1  0
 16 18  1  0
 16 19  1  0
 17 26  1  0
 18 26  1  0
 19 27  1  0
 20 28  1  0
 21 23  1  0
 22 27  1  0
 23 26  1  0
  1 30  1  0
  2 31  1  0
  3 32  1  0
  4 33  1  0
  5 34  1  0
  6 35  1  0
  7 36  1  0
  8 37  1  0
 15 38  1  0
 15 39  1  0
 16 40  1  0
 16 41  1  0
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 21 50  1  0
 21 51  1  0
 22 52  1  0
 22 53  1  0
 23 54  1  0
 23 55  1  0
 27 56  1  0
 27 57  1  0
M  CHG  1  27   1
M  END
> <Name>
comp023

> <EC_gyr_IC50>
16.95

$$$$
comp024
  SciTegic12152312193D

 59 62  0  0  0  0            999 V2000
    1.9801   -0.9024   -5.6822 C   0  0  0  0  0  0  0  0  0  1  0  0
    4.0185   -5.9766    6.8401 C   0  0  0  0  0  0  0  0  0  2  0  0
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    5.0290   -6.2559    5.9288 C   0  0  0  0  0  0  0  0  0  4  0  0
    1.2517   -3.0103    6.0390 C   0  0  0  0  0  0  0  0  0  5  0  0
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    3.0789   -4.9839    6.5899 C   0  0  0  0  0  0  0  0  0 10  0  0
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    1.1915    0.8620   -7.0684 C   0  0  0  0  0  0  0  0  0 12  0  0
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M  CHG  1  28   1
M  END
> <Name>
comp024

> <EC_gyr_IC50>
6.91

$$$$
comp025
  SciTegic12152312193D

 61 64  0  0  0  0            999 V2000
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M  CHG  1  29   1
M  END
> <Name>
comp025

> <EC_gyr_IC50>
16.7

$$$$
comp027
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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 31 60  1  0
 28 61  1  0
M  CHG  1  28   1
M  END
> <Name>
comp027

> <EC_gyr_IC50>
8

$$$$
comp028
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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  1  4  2  0
  1  7  1  0
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  2  9  1  0
  3 11  1  0
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 23 29  1  0
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  4 39  1  0
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 15 41  1  0
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 23 56  1  0
 23 57  1  0
 24 58  1  0
 28 59  1  0
 29 60  1  0
 33 61  1  0
 29 62  1  0
M  CHG  1  29   1
M  END
> <Name>
comp028

> <EC_gyr_IC50>
0.125

$$$$
comp029
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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   -7.5016   -3.0154   -1.5060 C   0  0  0  0  0  0  0  0  0 10  0  0
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   -6.1349   -2.4614   -1.6643 C   0  0  0  0  0  0  0  0  0 33  0  0
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  1  2  2  0
  1 36  1  0
  2  3  1  0
  2 37  1  0
  3  4  2  0
  3  9  1  0
  4  5  1  0
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  8 38  1  0
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 10 33  1  0
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 11  4  1  0
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 22 23  2  0
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 26 57  1  0
 27 22  1  0
 27 58  1  0
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 29 30  1  0
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 30 31  1  0
 30 60  1  0
 30 61  1  0
 31 25  1  0
 33 34  2  0
 35 62  1  0
 20 63  1  0
M  CHG  1  20   1
M  END
> <Name>
comp029

> <EC_gyr_IC50>
0.125

$$$$
comp030
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
   -6.1974   -0.6516    4.8133 C   0  0  0  0  0  0  0  0  0  1  0  0
    6.7117    1.5941   -1.5223 C   0  0  0  0  0  0  0  0  0  2  0  0
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   -5.6547   -1.6027    3.9454 C   0  0  0  0  0  0  0  0  0  5  0  0
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   -4.3676   -1.3962    3.4483 C   0  0  0  0  0  0  0  0  0  8  0  0
    5.8403    3.6924   -2.2632 C   0  0  0  0  0  0  0  0  0  9  0  0
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M  CHG  1  30   1
M  END
> <Name>
comp030

> <EC_gyr_IC50>
0.125

$$$$
comp031
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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M  CHG  1  30   1
M  END
> <Name>
comp031

> <EC_gyr_IC50>
8

$$$$
comp032
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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 30 63  1  0
M  CHG  1  30   1
M  END
> <Name>
comp032

> <EC_gyr_IC50>
0.5

$$$$
comp033
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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M  CHG  1  30   1
M  END
> <Name>
comp033

> <EC_gyr_IC50>
0.125

$$$$
comp034
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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 30 62  1  0
 30 63  1  0
M  CHG  1  30   1
M  END
> <Name>
comp034

> <EC_gyr_IC50>
0.125

$$$$
comp035
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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   -4.2270   -0.9062    3.9158 F   0  0  0  0  0  0  0  0  0 35  0  0
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  1  4  2  0
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 24 58  1  0
 28 59  1  0
 29 60  1  0
 29 61  1  0
 30 62  1  0
 30 63  1  0
M  CHG  1  30   1
M  END
> <Name>
comp035

> <EC_gyr_IC50>
0.125

$$$$
comp036
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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 24 58  1  0
 28 59  1  0
 29 60  1  0
 29 61  1  0
 30 62  1  0
 30 63  1  0
M  CHG  1  30   1
M  END
> <Name>
comp036

> <EC_gyr_IC50>
0.5

$$$$
comp037
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
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M  CHG  1  30   1
M  END
> <Name>
comp037

> <EC_gyr_IC50>
0.03

$$$$
comp038
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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M  CHG  1  28   1
M  END
> <Name>
comp038

> <EC_gyr_IC50>
8

$$$$
comp039
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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 34 62  1  0
 20 63  1  0
M  CHG  1  20   1
M  END
> <Name>
comp039

> <EC_gyr_IC50>
0.5

$$$$
comp040
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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   -2.8700   -6.3417   -1.0067 O   0  0  0  0  0  0  0  0  0 34  0  0
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   -3.7985   -0.6477   -0.7197 H   0  0  0  0  0  0  0  0  0 57  0  0
   -2.9795   -2.2151   -0.8727 H   0  0  0  0  0  0  0  0  0 58  0  0
   -2.4023   -1.8761    1.7052 H   0  0  0  0  0  0  0  0  0 59  0  0
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  1  2  2  0
  1  4  1  0
  2  9  1  0
  3  5  1  0
  3  6  2  0
  4  7  2  0
  4 10  1  0
  5  8  2  0
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  8 26  1  0
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 24 26  2  0
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 21 56  1  0
 22 57  1  0
 22 58  1  0
 23 59  1  0
 28 60  1  0
 33 61  1  0
 28 62  1  0
M  CHG  1  28   1
M  END
> <Name>
comp040

> <EC_gyr_IC50>
32

$$$$
comp041
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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 22 23  1  0
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 23 32  1  0
 24 26  2  0
  1 35  1  0
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 10 38  1  0
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 21 56  1  0
 22 57  1  0
 22 58  1  0
 23 59  1  0
 28 60  1  0
 32 61  1  0
 28 62  1  0
M  CHG  1  28   1
M  END
> <Name>
comp041

> <EC_gyr_IC50>
8

$$$$
comp042
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
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  1  2  2  0
  1  6  1  0
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 24 59  1  0
 27 60  1  0
 29 61  1  0
 29 62  1  0
 30 63  1  0
 30 64  1  0
M  CHG  1  30   1
M  END
> <Name>
comp042

> <EC_gyr_IC50>
0.5

$$$$
comp043
  SciTegic12152312193D

 65 69  0  0  0  0            999 V2000
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 25 60  1  0
 27 61  1  0
 29 62  1  0
 29 63  1  0
 30 64  1  0
 30 65  1  0
M  CHG  1  30   1
M  END
> <Name>
comp043

> <EC_gyr_IC50>
0.125

$$$$
comp044
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
   -7.5774    0.2034   -0.4245 C   0  0  0  0  0  0  0  0  0  1  0  0
    5.7811    3.0040   -2.8676 C   0  0  0  0  0  0  0  0  0  2  0  0
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  1  3  2  0
  1  6  1  0
  2  4  2  0
  2  8  1  0
  3  9  1  0
  4 10  1  0
  5  7  1  0
  5  9  2  0
  6  7  2  0
  6 26  1  0
  7 28  1  0
  8 11  2  0
  8 33  1  0
  9 35  1  0
 10 22  1  0
 10 25  2  0
 11 25  1  0
 11 27  1  0
 12 13  1  0
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 13 28  1  0
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 14 15  1  0
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 15 33  1  0
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 18 34  1  0
 19 30  1  0
 20 24  1  0
 20 34  1  0
 21 35  1  0
 22 30  1  0
 23 24  1  0
 23 28  1  0
 24 29  1  0
  1 36  1  0
  2 37  1  0
  3 38  1  0
  4 39  1  0
  5 40  1  0
 12 41  1  0
 15 42  1  0
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 23 58  1  0
 24 59  1  0
 27 60  1  0
 29 61  1  0
 29 62  1  0
 30 63  1  0
 30 64  1  0
M  CHG  1  30   1
M  END
> <Name>
comp044

> <EC_gyr_IC50>
0.5

$$$$
comp045
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
   -7.4819    0.2212   -0.5034 C   0  0  0  0  0  0  0  0  0  1  0  0
    5.7811    3.0040   -2.8676 C   0  0  0  0  0  0  0  0  0  2  0  0
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   -6.8900    0.4744   -1.7336 C   0  0  0  0  0  0  0  0  0  4  0  0
   -6.6941    0.0722    0.6411 C   0  0  0  0  0  0  0  0  0  5  0  0
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    4.5099    2.3058   -0.9867 C   0  0  0  0  0  0  0  0  0  7  0  0
   -5.3112    0.1857    0.5025 C   0  0  0  0  0  0  0  0  0  8  0  0
    6.8118    2.2274   -0.8563 C   0  0  0  0  0  0  0  0  0  9  0  0
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   -1.0656   -0.8793    0.3377 C   0  0  1  0  0  0  0  0  0 19  0  0
   -3.4776    0.9100   -2.9568 C   0  0  0  0  0  0  0  0  0 20  0  0
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   -4.5261   -0.3750    3.9782 O   0  0  0  0  0  0  0  0  0 31  0  0
   10.2694    1.9444   -0.0202 O   0  0  0  0  0  0  0  0  0 32  0  0
    8.1360    2.9740   -2.7450 O   0  0  0  0  0  0  0  0  0 33  0  0
   -1.1840    0.1081   -0.6920 O   0  0  0  0  0  0  0  0  0 34  0  0
   -4.8975    0.8206   -2.9726 O   0  0  0  0  0  0  0  0  0 35  0  0
   -8.5642    0.1399   -0.4387 H   0  0  0  0  0  0  0  0  0 36  0  0
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   -2.6315    0.3375    2.5206 H   0  0  0  0  0  0  0  0  0 57  0  0
   -3.1119   -1.4494    0.1111 H   0  0  0  0  0  0  0  0  0 58  0  0
    7.8643    1.7391    0.8676 H   0  0  0  0  0  0  0  0  0 59  0  0
   -1.7544   -2.9243    1.7720 H   0  0  0  0  0  0  0  0  0 60  0  0
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  1  4  2  0
  1  5  1  0
  2  3  2  0
  2  6  1  0
  3  7  1  0
  4 10  1  0
  5  8  2  0
  5 26  1  0
  6  9  2  0
  6 33  1  0
  7 21  1  0
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  9 24  1  0
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 22 28  1  0
 23 29  1  0
  1 36  1  0
  2 37  1  0
  3 38  1  0
  4 39  1  0
 11 40  1  0
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 22 57  1  0
 23 58  1  0
 27 59  1  0
 29 60  1  0
 29 61  1  0
 30 62  1  0
 30 63  1  0
M  CHG  1  30   1
M  END
> <Name>
comp045

> <EC_gyr_IC50>
0.5

$$$$
comp046
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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  1  2  2  0
  1  4  1  0
  2  6  1  0
  3  9  1  0
  3 24  2  0
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  6 25  2  0
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  7 27  1  0
  8 26  1  0
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 10 11  2  0
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 17 34  1  0
 18 30  1  0
 19 23  1  0
 19 34  1  0
 20 35  1  0
 21 30  1  0
 22 23  1  0
 22 28  1  0
 23 29  1  0
  1 36  1  0
  2 37  1  0
  3 38  1  0
 10 39  1  0
 11 40  1  0
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 21 55  1  0
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 22 57  1  0
 23 58  1  0
 27 59  1  0
 29 60  1  0
 29 61  1  0
 30 62  1  0
 30 63  1  0
M  CHG  1  30   1
M  END
> <Name>
comp046

> <EC_gyr_IC50>
0.5

$$$$
comp047
  SciTegic12152312193D

 66 71  0  0  0  0            999 V2000
   -7.6333    5.6539    0.5835 C   0  0  0  0  0  0  0  0  0  1  0  0
    0.7773   -2.8760   -6.4267 C   0  0  0  0  0  0  0  0  0  2  0  0
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   -6.5827    4.9842    1.1990 C   0  0  0  0  0  0  0  0  0  7  0  0
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    0.2681   -3.2283   -7.6734 C   0  0  0  0  0  0  0  0  0  9  0  0
   -4.4955    3.6299    2.3594 C   0  0  0  0  0  0  0  0  0 10  0  0
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 35 65  1  0
 31 66  1  0
M  CHG  1  31   1
M  END
> <Name>
comp047

> <EC_gyr_IC50>
0.78

$$$$
comp048
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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 30 60  1  0
 30 61  1  0
M  CHG  1  30   1
M  END
> <Name>
comp048

> <EC_gyr_IC50>
0.1

$$$$
comp049
  SciTegic12152312193D

 65 70  0  0  0  0            999 V2000
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 31 64  1  0
 31 65  1  0
M  CHG  1  31   1
M  END
> <Name>
comp049

> <EC_gyr_IC50>
0.18

$$$$
comp054
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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M  CHG  1   7   1
M  END
> <Name>
comp054

> <EC_gyr_IC50>
0.02

$$$$
comp055
  SciTegic12152312193D

 60 65  0  0  0  0            999 V2000
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 26 58  1  0
 29 59  1  0
 29 60  1  0
M  CHG  1  29   1
M  END
> <Name>
comp055

> <EC_gyr_IC50>
0.125

$$$$
comp056
  SciTegic12152312193D

 70 75  0  0  0  0            999 V2000
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M  CHG  1  32   1
M  END
> <Name>
comp056

> <EC_gyr_IC50>
0.14

$$$$
comp057
  SciTegic12152312193D

 57 61  0  0  0  0            999 V2000
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 29 57  1  0
M  END
> <Name>
comp057

> <EC_gyr_IC50>
0.5

$$$$
comp058
  SciTegic12152312193D

 57 61  0  0  0  0            999 V2000
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 29 57  1  0
M  END
> <Name>
comp058

> <EC_gyr_IC50>
0.8

$$$$
comp059
  SciTegic12152312193D

 57 61  0  0  0  0            999 V2000
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 29 57  1  0
M  END
> <Name>
comp059

> <EC_gyr_IC50>
0.9

$$$$
comp060
  SciTegic12152312193D

 58 62  0  0  0  0            999 V2000
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M  END
> <Name>
comp060

> <EC_gyr_IC50>
2.3

$$$$
comp061
  SciTegic12152312193D

 60 64  0  0  0  0            999 V2000
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M  END
> <Name>
comp061

> <EC_gyr_IC50>
2.6

$$$$
comp063
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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M  END
> <Name>
comp063

> <EC_gyr_IC50>
3.2

$$$$
comp064
  SciTegic12152312193D

 57 61  0  0  0  0            999 V2000
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 29 57  1  0
M  END
> <Name>
comp064

> <EC_gyr_IC50>
0.9

$$$$
comp065
  SciTegic12152312193D

 57 61  0  0  0  0            999 V2000
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M  END
> <Name>
comp065

> <EC_gyr_IC50>
2.3

$$$$
comp066
  SciTegic12152312193D

 58 62  0  0  0  0            999 V2000
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M  END
> <Name>
comp066

> <EC_gyr_IC50>
5.6

$$$$
comp067
  SciTegic12152312193D

 60 64  0  0  0  0            999 V2000
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M  END
> <Name>
comp067

> <EC_gyr_IC50>
4.8

$$$$
comp069
  SciTegic12152312193D

 56 60  0  0  0  0            999 V2000
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M  END
> <Name>
comp069

> <EC_gyr_IC50>
40.6

$$$$
comp070
  SciTegic12152312193D

 57 61  0  0  0  0            999 V2000
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M  END
> <Name>
comp070

> <EC_gyr_IC50>
0.6

$$$$
comp071
  SciTegic12152312193D

 57 61  0  0  0  0            999 V2000
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M  END
> <Name>
comp071

> <EC_gyr_IC50>
1.2

$$$$
comp072
  SciTegic12152312193D

 60 64  0  0  0  0            999 V2000
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M  END
> <Name>
comp072

> <EC_gyr_IC50>
1.3

$$$$
comp073
  SciTegic12152312193D

 60 64  0  0  0  0            999 V2000
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M  END
> <Name>
comp073

> <EC_gyr_IC50>
2.4

$$$$
comp074
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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M  END
> <Name>
comp074

> <EC_gyr_IC50>
7.6

$$$$
comp075
  SciTegic12152312193D

 60 64  0  0  0  0            999 V2000
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M  END
> <Name>
comp075

> <EC_gyr_IC50>
22.8

$$$$
comp076
  SciTegic12152312193D

 59 63  0  0  0  0            999 V2000
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M  END
> <Name>
comp076

> <EC_gyr_IC50>
6.3

$$$$
comp077
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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M  END
> <Name>
comp077

> <EC_gyr_IC50>
2.9

$$$$
comp078
  SciTegic12152312193D

 59 63  0  0  0  0            999 V2000
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M  END
> <Name>
comp078

> <EC_gyr_IC50>
1.3

$$$$
comp080
  SciTegic12152312193D

 56 60  0  0  0  0            999 V2000
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M  END
> <Name>
comp080

> <EC_gyr_IC50>
6.2

$$$$
comp081
  SciTegic12152312193D

 56 60  0  0  0  0            999 V2000
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M  END
> <Name>
comp081

> <EC_gyr_IC50>
1.1

$$$$
comp082
  SciTegic12152312193D

 58 63  0  0  0  0            999 V2000
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M  END
> <Name>
comp082

> <EC_gyr_IC50>
1,1

$$$$
comp083
  SciTegic12152312193D

 58 63  0  0  0  0            999 V2000
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M  END
> <Name>
comp083

> <EC_gyr_IC50>
2,1

$$$$
comp084
  SciTegic12152312193D

 58 62  0  0  0  0            999 V2000
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M  END
> <Name>
comp084

> <EC_gyr_IC50>
1.1

$$$$
comp085
  SciTegic12152312193D

 59 63  0  0  0  0            999 V2000
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M  END
> <Name>
comp085

> <EC_gyr_IC50>
2.8

$$$$
comp086
  SciTegic12152312193D

 57 61  0  0  0  0            999 V2000
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 29 56  1  0
 32 57  1  0
M  END
> <Name>
comp086

> <EC_gyr_IC50>
0.15

$$$$
comp087
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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   -8.0733    1.7062   -0.8896 C   0  0  0  0  0  0  0  0  0  8  0  0
   -7.3289    0.6041   -1.2892 C   0  0  0  0  0  0  0  0  0  9  0  0
   -6.1748    0.2776   -0.5749 C   0  0  0  0  0  0  0  0  0 10  0  0
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   -7.6210   -0.2105   -2.3485 O   0  0  0  0  0  0  0  0  0 34  0  0
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  1  2  2  0
  1 36  1  0
  2  3  1  0
  2  7  1  0
  3  4  2  0
  4  5  1  0
  4 11  1  0
  5  6  2  0
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 10  3  1  0
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 30 58  1  0
 33 59  1  0
 34 35  1  0
 35 60  1  0
 35 61  1  0
 35 62  1  0
 20 63  1  0
M  CHG  1  20   1
M  END
> <Name>
comp087

> <EC_gyr_IC50>
0.04

$$$$
comp088
  SciTegic12152312193D

 57 61  0  0  0  0            999 V2000
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M  END
> <Name>
comp088

> <EC_gyr_IC50>
1.5

$$$$
comp089
  SciTegic12152312193D

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M  END
> <Name>
comp089

> <EC_gyr_IC50>
0.4

$$$$
comp090
  SciTegic12152312193D

 57 61  0  0  0  0            999 V2000
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 29 56  1  0
 32 57  1  0
M  END
> <Name>
comp090

> <EC_gyr_IC50>
0.1

$$$$
comp098
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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 25 58  1  0
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 28 60  1  0
 29 61  1  0
 33 62  1  0
 29 63  1  0
M  CHG  1  29   1
M  END
> <Name>
comp098

> <EC_gyr_IC50>
0.022

$$$$
comp099
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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 23 33  1  0
 25 29  1  0
  1 34  1  0
  2 35  1  0
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  7 40  1  0
 16 41  1  0
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 25 57  1  0
 25 58  1  0
 28 59  1  0
 29 60  1  0
 33 61  1  0
 29 62  1  0
M  CHG  1  29   1
M  END
> <Name>
comp099

> <EC_gyr_IC50>
0.111

$$$$
comp100
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
   -2.1359    5.9358    3.3907 C   0  0  0  0  0  0  0  0  0  1  0  0
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    4.4575   -5.9672   -3.8584 O   0  0  0  0  0  0  0  0  0 31  0  0
    3.0981   -8.1501   -2.5507 O   0  0  0  0  0  0  0  0  0 32  0  0
   -1.6893    6.8994    3.1653 H   0  0  0  0  0  0  0  0  0 33  0  0
   -3.3681    6.7136    4.9609 H   0  0  0  0  0  0  0  0  0 34  0  0
   -4.9400    5.2962    6.2998 H   0  0  0  0  0  0  0  0  0 35  0  0
   -1.0235    4.8989    1.8807 H   0  0  0  0  0  0  0  0  0 36  0  0
   -5.9179    3.0777    6.7637 H   0  0  0  0  0  0  0  0  0 37  0  0
    3.9454   -3.6559   -2.7902 H   0  0  0  0  0  0  0  0  0 38  0  0
    1.5410   -7.3366   -0.6168 H   0  0  0  0  0  0  0  0  0 39  0  0
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    1.1477    0.8500    1.4364 H   0  0  0  0  0  0  0  0  0 43  0  0
   -1.1586   -0.8695   -1.4451 H   0  0  0  0  0  0  0  0  0 44  0  0
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    1.2983   -1.5783    1.3989 H   0  0  0  0  0  0  0  0  0 46  0  0
   -0.3996   -1.7345    0.9975 H   0  0  0  0  0  0  0  0  0 47  0  0
    5.1454   -7.4243   -5.1245 H   0  0  0  0  0  0  0  0  0 48  0  0
    3.3806   -7.2469   -5.0643 H   0  0  0  0  0  0  0  0  0 49  0  0
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    5.1420   -8.3199   -2.7599 H   0  0  0  0  0  0  0  0  0 51  0  0
   -1.8016    0.5409    0.7531 H   0  0  0  0  0  0  0  0  0 52  0  0
    1.7912   -0.5081   -0.7379 H   0  0  0  0  0  0  0  0  0 53  0  0
   -6.2133    0.6126    4.8536 H   0  0  0  0  0  0  0  0  0 54  0  0
   -4.5914   -0.0158    5.2359 H   0  0  0  0  0  0  0  0  0 55  0  0
   -5.5963    0.6464    6.5240 H   0  0  0  0  0  0  0  0  0 56  0  0
    2.3564   -2.9114    0.3523 H   0  0  0  0  0  0  0  0  0 57  0  0
    3.1044   -2.2315   -1.0934 H   0  0  0  0  0  0  0  0  0 58  0  0
   -2.3814    1.5664    2.4559 H   0  0  0  0  0  0  0  0  0 59  0  0
    0.2618   -3.0211   -0.7938 H   0  0  0  0  0  0  0  0  0 60  0  0
    1.0035   -2.3548   -2.2291 H   0  0  0  0  0  0  0  0  0 61  0  0
  1  2  2  0
  1  4  1  0
  2  8  1  0
  3  5  1  0
  3  8  2  0
  4 10  2  0
  5 13  2  0
  6 11  2  0
  6 14  1  0
  7 12  2  0
  7 26  1  0
  8  9  1  0
  9 10  1  0
  9 27  2  0
 10 28  1  0
 11 12  1  0
 11 31  1  0
 12 32  1  0
 13 24  1  0
 13 27  1  0
 14 25  1  0
 14 26  2  0
 15 22  1  0
 15 28  1  0
 15 30  2  0
 16 18  1  0
 16 22  1  0
 17 19  1  0
 17 22  1  0
 18 23  1  0
 19 23  1  0
 20 21  1  0
 20 31  1  0
 21 32  1  0
 23 29  1  0
 25 29  1  0
  1 33  1  0
  2 34  1  0
  3 35  1  0
  4 36  1  0
  5 37  1  0
  6 38  1  0
  7 39  1  0
 16 40  1  0
 16 41  1  0
 17 42  1  0
 17 43  1  0
 18 44  1  0
 18 45  1  0
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 20 48  1  0
 20 49  1  0
 21 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  0
 24 55  1  0
 24 56  1  0
 25 57  1  0
 25 58  1  0
 28 59  1  0
 29 60  1  0
 29 61  1  0
M  CHG  1  29   1
M  END
> <Name>
comp100

> <EC_gyr_IC50>
0.16

$$$$
comp103
  SciTegic12152312193D

 65 69  0  0  0  0            999 V2000
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   -0.7357    3.7488   -7.1690 C   0  0  0  0  0  0  0  0  0  2  0  0
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   -1.8449    0.4895   -8.5572 C   0  0  0  0  0  0  0  0  0  5  0  0
   -1.1126   -2.4242    5.3530 C   0  0  0  0  0  0  0  0  0  6  0  0
   -2.1856   -4.7859    4.4854 C   0  0  0  0  0  0  0  0  0  7  0  0
   -1.0780    2.3900   -7.2747 C   0  0  0  0  0  0  0  0  0  8  0  0
   -0.9891    1.5434   -6.1499 C   0  0  0  0  0  0  0  0  0  9  0  0
   -0.5555    2.0952   -4.9475 C   0  0  0  0  0  0  0  0  0 10  0  0
   -1.1827   -3.5048    6.2245 C   0  0  0  0  0  0  0  0  0 11  0  0
   -1.7472   -4.7029    5.7964 C   0  0  0  0  0  0  0  0  0 12  0  0
   -1.7260   -0.2592   -7.4040 C   0  0  0  0  0  0  0  0  0 13  0  0
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   -2.0707   -1.7108   -7.4344 C   0  0  0  0  0  0  0  0  0 24  0  0
    3.2446   -0.4590    1.1647 C   0  0  0  0  0  0  0  0  0 25  0  0
   -1.5228   -1.4645    3.0899 C   0  0  0  0  0  0  0  0  0 26  0  0
   -2.1202   -3.7616    3.6054 N   0  0  0  0  0  0  0  0  0 27  0  0
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   -0.4578   -1.6425    2.1167 N   0  3  0  0  0  0  0  0  0 30  0  0
    0.3109    2.7959   -2.1503 O   0  0  0  0  0  0  0  0  0 31  0  0
   -0.6905   -3.3290    7.4907 O   0  0  0  0  0  0  0  0  0 32  0  0
   -1.8826   -5.7998    6.5976 O   0  0  0  0  0  0  0  0  0 33  0  0
    1.9311   -0.0988    1.5643 O   0  0  0  0  0  0  0  0  0 34  0  0
   -0.0417    5.3246   -5.8763 H   0  0  0  0  0  0  0  0  0 35  0  0
   -0.8027    4.4057   -8.0335 H   0  0  0  0  0  0  0  0  0 36  0  0
   -1.5988    2.4491   -9.3790 H   0  0  0  0  0  0  0  0  0 37  0  0
    0.1216    3.8605   -3.8951 H   0  0  0  0  0  0  0  0  0 38  0  0
   -2.1832    0.0534   -9.4906 H   0  0  0  0  0  0  0  0  0 39  0  0
   -0.6881   -1.4771    5.6698 H   0  0  0  0  0  0  0  0  0 40  0  0
   -2.6234   -5.6989    4.0942 H   0  0  0  0  0  0  0  0  0 41  0  0
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   -0.3421   -4.3629    9.2254 H   0  0  0  0  0  0  0  0  0 48  0  0
    0.4126   -5.0481    7.7727 H   0  0  0  0  0  0  0  0  0 49  0  0
   -1.5816   -6.4055    8.5321 H   0  0  0  0  0  0  0  0  0 50  0  0
   -2.6270   -4.9847    8.3388 H   0  0  0  0  0  0  0  0  0 51  0  0
    0.1362   -0.3831   -2.1464 H   0  0  0  0  0  0  0  0  0 52  0  0
   -0.6173    0.3998    1.7627 H   0  0  0  0  0  0  0  0  0 53  0  0
    1.2666   -1.3564    0.0875 H   0  0  0  0  0  0  0  0  0 54  0  0
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   -2.8553   -1.9177   -8.1734 H   0  0  0  0  0  0  0  0  0 57  0  0
    3.9493   -0.2137    1.9631 H   0  0  0  0  0  0  0  0  0 58  0  0
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    3.2754   -1.5340    0.9723 H   0  0  0  0  0  0  0  0  0 60  0  0
   -2.4670   -1.3682    2.5428 H   0  0  0  0  0  0  0  0  0 61  0  0
   -1.3484   -0.5153    3.6072 H   0  0  0  0  0  0  0  0  0 62  0  0
   -0.7073    0.3119   -3.9136 H   0  0  0  0  0  0  0  0  0 63  0  0
   -0.6292   -2.5459    1.5695 H   0  0  0  0  0  0  0  0  0 64  0  0
    0.4792   -1.7077    2.6292 H   0  0  0  0  0  0  0  0  0 65  0  0
  1  2  2  0
  1  4  1  0
  2  8  1  0
  3  5  1  0
  3  8  2  0
  4 10  2  0
  5 13  2  0
  6 11  2  0
  6 14  1  0
  7 12  2  0
  7 27  1  0
  8  9  1  0
  9 10  1  0
  9 28  2  0
 10 29  1  0
 11 12  1  0
 11 32  1  0
 12 33  1  0
 13 24  1  0
 13 28  1  0
 14 26  1  0
 14 27  2  0
 15 21  1  0
 15 29  1  0
 15 31  2  0
 16 17  1  0
 16 21  1  0
 17 22  1  0
 18 21  1  0
 18 23  1  0
 19 20  1  0
 19 32  1  0
 20 33  1  0
 22 23  1  0
 22 30  1  0
 23 34  1  0
 25 34  1  0
 26 30  1  0
  1 35  1  0
  2 36  1  0
  3 37  1  0
  4 38  1  0
  5 39  1  0
  6 40  1  0
  7 41  1  0
 16 42  1  0
 16 43  1  0
 17 44  1  0
 17 45  1  0
 18 46  1  0
 18 47  1  0
 19 48  1  0
 19 49  1  0
 20 50  1  0
 20 51  1  0
 21 52  1  0
 22 53  1  0
 23 54  1  0
 24 55  1  0
 24 56  1  0
 24 57  1  0
 25 58  1  0
 25 59  1  0
 25 60  1  0
 26 61  1  0
 26 62  1  0
 29 63  1  0
 30 64  1  0
 30 65  1  0
M  CHG  1  30   1
M  END
> <Name>
comp103

> <EC_gyr_IC50>
0.221

$$$$
comp104
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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   -1.4012   -1.1621   -0.1154 C   0  0  2  0  0  0  0  0  0  4  0  0
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   -7.7317   -1.4876   -0.3879 C   0  0  0  0  0  0  0  0  0  6  0  0
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   -6.8387   -3.5211   -0.9421 C   0  0  0  0  0  0  0  0  0  8  0  0
   -5.5564   -2.9961   -1.0070 C   0  0  0  0  0  0  0  0  0  9  0  0
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    7.8172    3.7960    0.2018 O   0  0  0  0  0  0  0  0  0 35  0  0
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   -0.7453   -1.4045    1.9408 H   0  0  0  0  0  0  0  0  0 47  0  0
   -0.6134   -2.8760    0.9730 H   0  0  0  0  0  0  0  0  0 48  0  0
    1.6046   -1.8531    1.5438 H   0  0  0  0  0  0  0  0  0 49  0  0
    1.3489   -1.9826   -0.1969 H   0  0  0  0  0  0  0  0  0 50  0  0
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    0.4491    0.1172   -1.5058 H   0  0  0  0  0  0  0  0  0 53  0  0
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    9.7554    2.1225   -0.4832 H   0  0  0  0  0  0  0  0  0 59  0  0
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    9.2077    4.5256   -1.0858 H   0  0  0  0  0  0  0  0  0 61  0  0
    7.7217    4.0030   -1.8656 H   0  0  0  0  0  0  0  0  0 62  0  0
    2.6056    1.4557   -0.1237 H   0  0  0  0  0  0  0  0  0 63  0  0
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 34 35  1  0
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 34 62  1  0
 35 29  1  0
 24 63  1  0
M  CHG  1  24   1
M  END
> <Name>
comp104

> <EC_gyr_IC50>
8

$$$$
comp105
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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 32 35  2  0
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 33 61  1  0
 34 28  1  0
 23 62  1  0
M  CHG  1  23   1
M  END
> <Name>
comp105

> <EC_gyr_IC50>
2

$$$$
comp106
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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 23 57  1  0
 24 58  1  0
 28 59  1  0
 29 60  1  0
 32 61  1  0
 29 62  1  0
M  CHG  1  29   1
M  END
> <Name>
comp106

> <EC_gyr_IC50>
8

$$$$
comp107
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
   -8.1613   -1.4626    1.1901 C   0  0  0  0  0  0  0  0  0  1  0  0
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   -1.1840    0.1081   -0.6920 O   0  0  0  0  0  0  0  0  0 32  0  0
   -2.8884    0.0954    1.5434 O   0  0  0  0  0  0  0  0  0 33  0  0
   -7.1746    1.7463   -0.1683 O   0  0  0  0  0  0  0  0  0 34  0  0
   -9.0412   -1.9458    1.6095 H   0  0  0  0  0  0  0  0  0 35  0  0
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    2.6162    3.0014   -0.2360 H   0  0  0  0  0  0  0  0  0 57  0  0
   -2.3873   -1.8771    1.7026 H   0  0  0  0  0  0  0  0  0 58  0  0
    5.1842    5.4660   -3.1245 H   0  0  0  0  0  0  0  0  0 59  0  0
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   -3.7703   -0.0840    1.9033 H   0  0  0  0  0  0  0  0  0 61  0  0
    2.1870    1.4865   -2.0342 H   0  0  0  0  0  0  0  0  0 62  0  0
  1  4  2  0
  1  8  1  0
  2  3  2  0
  2 10  1  0
  3 11  1  0
  4 13  1  0
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  7  9  2  0
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  8  9  1  0
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 22 24  1  0
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 24 33  1  0
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 15 41  1  0
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 23 56  1  0
 23 57  1  0
 24 58  1  0
 28 59  1  0
 29 60  1  0
 33 61  1  0
 29 62  1  0
M  CHG  1  29   1
M  END
> <Name>
comp107

> <EC_gyr_IC50>
2

$$$$
comp108
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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   -4.6218   -6.1171    1.6967 C   0  0  0  0  0  0  0  0  0  2  0  0
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   -4.6818   -2.1873    0.4119 C   0  0  0  0  0  0  0  0  0  7  0  0
   -5.8298   -4.0467    1.3612 C   0  0  0  0  0  0  0  0  0  8  0  0
   -4.6405   -3.5094    0.8380 C   0  0  0  0  0  0  0  0  0  9  0  0
    6.7165    1.5993   -1.5102 C   0  0  0  0  0  0  0  0  0 10  0  0
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   -2.3393   -6.2015    1.0627 O   0  0  0  0  0  0  0  0  0 33  0  0
   -6.6808   -5.8347    2.2001 H   0  0  0  0  0  0  0  0  0 34  0  0
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  1  2  2  0
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  2 13  1  0
  3  5  2  0
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  8 25  2  0
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 10 11  2  0
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 18 31  1  0
 19 28  1  0
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 20 31  1  0
 21 33  1  0
 22 24  1  0
 23 28  1  0
 24 32  1  0
  1 34  1  0
  2 35  1  0
  3 36  1  0
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  6 39  1  0
 14 40  1  0
 14 41  1  0
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 22 55  1  0
 22 56  1  0
 23 57  1  0
 23 58  1  0
 24 59  1  0
 28 60  1  0
 32 61  1  0
 28 62  1  0
M  CHG  1  28   1
M  END
> <Name>
comp108

> <EC_gyr_IC50>
32

$$$$
comp111
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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   -4.6218   -6.1171    1.6967 C   0  0  0  0  0  0  0  0  0  2  0  0
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   -5.8298   -4.0467    1.3612 C   0  0  0  0  0  0  0  0  0  7  0  0
   -4.6405   -3.5094    0.8380 C   0  0  0  0  0  0  0  0  0  8  0  0
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    4.4951    2.3328   -1.0055 C   0  0  0  0  0  0  0  0  0 10  0  0
    6.8268    2.8629   -2.2397 C   0  0  0  0  0  0  0  0  0 11  0  0
   -3.5098   -5.4985    1.1689 C   0  0  0  0  0  0  0  0  0 12  0  0
    1.2686   -0.0694    0.8004 C   0  0  0  0  0  0  0  0  0 13  0  0
   -0.0881   -0.4048    1.4154 C   0  0  0  0  0  0  0  0  0 14  0  0
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   -6.6808   -5.8347    2.2001 H   0  0  0  0  0  0  0  0  0 34  0  0
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   -0.7124   -1.8167   -0.1108 H   0  0  0  0  0  0  0  0  0 50  0  0
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M  CHG  1  28   1
M  END
> <Name>
comp111

> <EC_gyr_IC50>
32

$$$$
comp112
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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M  CHG  1  29   1
M  END
> <Name>
comp112

> <EC_gyr_IC50>
0.03

$$$$
comp113
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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 28 59  1  0
 29 60  1  0
 33 61  1  0
 29 62  1  0
M  CHG  1  29   1
M  END
> <Name>
comp113

> <EC_gyr_IC50>
1

$$$$
comp114
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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 23 58  1  0
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 28 60  1  0
 32 61  1  0
 28 62  1  0
M  CHG  1  28   1
M  END
> <Name>
comp114

> <EC_gyr_IC50>
32

$$$$
comp115
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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 23 28  1  0
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 24 59  1  0
 28 60  1  0
 31 61  1  0
 28 62  1  0
M  CHG  1  28   1
M  END
> <Name>
comp115

> <EC_gyr_IC50>
2

$$$$
comp117
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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M  CHG  1  28   1
M  END
> <Name>
comp117

> <EC_gyr_IC50>
32

$$$$
comp118
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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M  CHG  1  28   1
M  END
> <Name>
comp118

> <EC_gyr_IC50>
8

$$$$
comp119
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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 28 60  1  0
 31 61  1  0
 28 62  1  0
M  CHG  1  28   1
M  END
> <Name>
comp119

> <EC_gyr_IC50>
2

$$$$
comp121
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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  1  2  1  0
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 26 27  2  0
  1 35  1  0
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 22 56  1  0
 22 57  1  0
 23 58  1  0
 28 59  1  0
 31 60  1  0
 28 61  1  0
M  CHG  1  28   1
M  END
> <Name>
comp121

> <EC_gyr_IC50>
8

$$$$
comp122
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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 24 28  1  0
 25 32  1  0
  1 35  1  0
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 24 58  1  0
 24 59  1  0
 25 60  1  0
 28 61  1  0
 32 62  1  0
 28 63  1  0
M  CHG  1  28   1
M  END
> <Name>
comp122

> <EC_gyr_IC50>
8

$$$$
comp123
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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 24 58  1  0
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 25 60  1  0
 28 61  1  0
 31 62  1  0
 28 63  1  0
M  CHG  1  28   1
M  END
> <Name>
comp123

> <EC_gyr_IC50>
2

$$$$
comp124
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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 23 28  1  0
 24 32  1  0
 26 27  2  0
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 23 57  1  0
 23 58  1  0
 24 59  1  0
 28 60  1  0
 32 61  1  0
 28 62  1  0
M  CHG  1  28   1
M  END
> <Name>
comp124

> <EC_gyr_IC50>
32

$$$$
comp125
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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   -5.9219   -5.5227    1.3285 C   0  0  0  0  0  0  0  0  0  2  0  0
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   -2.6250   -6.3947    0.1105 O   0  0  0  0  0  0  0  0  0 32  0  0
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   -7.7656   -1.3147    1.5447 H   0  0  0  0  0  0  0  0  0 37  0  0
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   -3.7703   -0.0840    1.9033 H   0  0  0  0  0  0  0  0  0 61  0  0
    2.1867    1.4721   -2.0396 H   0  0  0  0  0  0  0  0  0 62  0  0
  1  3  1  0
  1  6  2  0
  2  4  2  0
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  4 13  1  0
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 10 12  2  0
 10 34  1  0
 11 23  1  0
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 12 29  1  0
 13 25  2  0
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 16 29  1  0
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 18 34  1  0
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 20 24  1  0
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 21 32  1  0
 22 24  1  0
 23 28  1  0
 24 31  1  0
 26 27  2  0
  1 35  1  0
  2 36  1  0
  3 37  1  0
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  5 39  1  0
 14 40  1  0
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 15 42  1  0
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 21 54  1  0
 22 55  1  0
 22 56  1  0
 23 57  1  0
 23 58  1  0
 24 59  1  0
 28 60  1  0
 31 61  1  0
 28 62  1  0
M  CHG  1  28   1
M  END
> <Name>
comp125

> <EC_gyr_IC50>
8

$$$$
comp126
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
   -4.5991    4.4644    5.6748 C   0  0  0  0  0  0  0  0  0  1  0  0
    2.2028   -6.6180   -1.2325 C   0  0  0  0  0  0  0  0  0  2  0  0
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   -2.1841    5.8836    3.4247 C   0  0  0  0  0  0  0  0  0  6  0  0
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M  CHG  1  30   1
M  END
> <Name>
comp126

> <EC_gyr_IC50>
0.03

$$$$
comp127
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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M  CHG  1  30   1
M  END
> <Name>
comp127

> <EC_gyr_IC50>
8

$$$$
comp128
  SciTegic12152312193D

 61 66  0  0  0  0            999 V2000
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M  CHG  1  29   1
M  END
> <Name>
comp128

> <EC_gyr_IC50>
0.125

$$$$
comp129
  SciTegic12152312193D

 59 63  0  0  0  0            999 V2000
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M  CHG  1  28   1
M  END
> <Name>
comp129

> <EC_gyr_IC50>
2

$$$$
comp130
  SciTegic12152312193D

 59 63  0  0  0  0            999 V2000
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 27 58  1  0
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M  CHG  1  27   1
M  END
> <Name>
comp130

> <EC_gyr_IC50>
8

$$$$
comp131
  SciTegic12152312193D

 59 63  0  0  0  0            999 V2000
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   -0.2613    7.5261   -1.5570 O   0  0  0  0  0  0  0  0  0 33  0  0
   -7.3115   -5.9910    0.9600 S   0  0  0  0  0  0  0  0  0 34  0  0
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   -6.9535   -3.1140    1.0402 H   0  0  0  0  0  0  0  0  0 36  0  0
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   -6.3920   -7.1362   -0.9140 H   0  0  0  0  0  0  0  0  0 41  0  0
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  1  4  2  0
  1  7  1  0
  2  3  2  0
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  3 11  1  0
  4 13  1  0
  5  6  2  0
  5  9  1  0
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  9 28  1  0
 10 12  2  0
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 23 29  1  0
  1 35  1  0
  2 36  1  0
  3 37  1  0
  4 38  1  0
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 16 41  1  0
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 22 53  1  0
 23 54  1  0
 23 55  1  0
 27 56  1  0
 28 57  1  0
 29 58  1  0
 29 59  1  0
M  CHG  1  29   1
M  END
> <Name>
comp131

> <EC_gyr_IC50>
0.5

$$$$
comp132
  SciTegic12152312193D

 59 63  0  0  0  0            999 V2000
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    2.0096    8.1745   -1.3514 C   0  0  0  0  0  0  0  0  0  2  0  0
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   -4.2053   -5.9613    0.5857 C   0  0  0  0  0  0  0  0  0  6  0  0
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    2.5900    5.5412   -0.8350 C   0  0  0  0  0  0  0  0  0  8  0  0
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   -0.2613    7.5261   -1.5570 O   0  0  0  0  0  0  0  0  0 33  0  0
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  1  2  2  0
  1  7  1  0
  2 13  1  0
  3  5  2  0
  3  9  1  0
  4 10  1  0
  4 12  2  0
  5 24  1  0
  6 11  1  0
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  7  8  1  0
  7 24  2  0
  8  9  2  0
  8 26  1  0
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 17 30  1  0
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 21 28  1  0
 22 33  1  0
 23 28  1  0
  1 34  1  0
  2 35  1  0
  3 36  1  0
  4 37  1  0
  5 38  1  0
  6 39  1  0
 15 40  1  0
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 22 53  1  0
 22 54  1  0
 23 55  1  0
 23 56  1  0
 27 57  1  0
 28 58  1  0
 28 59  1  0
M  CHG  1  28   1
M  END
> <Name>
comp132

> <EC_gyr_IC50>
8

$$$$
comp133
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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M  CHG  1  19   1
M  END
> <Name>
comp133

> <EC_gyr_IC50>
0.5

$$$$
comp134
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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M  CHG  1  19   1
M  END
> <Name>
comp134

> <EC_gyr_IC50>
8

$$$$
comp135
  SciTegic12152312193D

 59 63  0  0  0  0            999 V2000
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 28 57  1  0
 29 58  1  0
 29 59  1  0
M  CHG  1  29   1
M  END
> <Name>
comp135

> <EC_gyr_IC50>
0.5

$$$$
comp136
  SciTegic12152312193D

 59 63  0  0  0  0            999 V2000
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 28 58  1  0
 28 59  1  0
M  CHG  1  28   1
M  END
> <Name>
comp136

> <EC_gyr_IC50>
8

$$$$
comp137
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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 29 60  1  0
 29 61  1  0
M  CHG  1  29   1
M  END
> <Name>
comp137

> <EC_gyr_IC50>
0.12

$$$$
comp138
  SciTegic12152312193D

 61 65  0  0  0  0            999 V2000
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M  CHG  1  28   1
M  END
> <Name>
comp138

> <EC_gyr_IC50>
8

$$$$
comp139
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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 19 63  1  0
M  CHG  1  19   1
M  END
> <Name>
comp139

> <EC_gyr_IC50>
0.5

$$$$
comp140
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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 32 58  1  0
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 33 61  1  0
 34 62  1  0
 19 63  1  0
M  CHG  1  19   1
M  END
> <Name>
comp140

> <EC_gyr_IC50>
8

$$$$
comp141
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
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 28 60  1  0
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 32 62  1  0
 33 63  1  0
 29 64  1  0
M  CHG  1  29   1
M  END
> <Name>
comp141

> <EC_gyr_IC50>
0.125

$$$$
comp142
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
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  6  8  1  0
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 25 59  1  0
 28 60  1  0
 29 61  1  0
 32 62  1  0
 33 63  1  0
 29 64  1  0
M  CHG  1  29   1
M  END
> <Name>
comp142

> <EC_gyr_IC50>
2

$$$$
comp143
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
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 33 63  1  0
 29 64  1  0
M  CHG  1  29   1
M  END
> <Name>
comp143

> <EC_gyr_IC50>
2

$$$$
comp144
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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 31 59  1  0
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 32 26  1  0
 34 61  1  0
 35 62  1  0
 19 63  1  0
M  CHG  1  19   1
M  END
> <Name>
comp144

> <EC_gyr_IC50>
0.5

$$$$
comp145
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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 11 12  2  0
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 13 14  2  0
 13 47  1  0
 14  9  1  0
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 17 18  2  0
 17 48  1  0
 18 11  1  0
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 20 23  1  0
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 22 54  1  0
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 31 32  1  0
 31 59  1  0
 31 60  1  0
 32 26  1  0
 33 61  1  0
 34 62  1  0
 19 63  1  0
M  CHG  1  19   1
M  END
> <Name>
comp145

> <EC_gyr_IC50>
8

$$$$
comp146
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
   -0.4726   -0.2644    1.3922 O   0  0  0  0  0  0  0  0  0  1  0  0
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   -2.6717   -0.8337    0.6365 C   0  0  2  0  0  0  0  0  0  7  0  0
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    9.1721    3.2208   -0.0394 C   0  0  0  0  0  0  0  0  0 31  0  0
    7.9783    3.4743    0.7072 O   0  0  0  0  0  0  0  0  0 32  0  0
   -3.7464    0.3786   -1.1617 O   0  0  0  0  0  0  0  0  0 33  0  0
   -3.1133    0.0969    1.6536 O   0  0  0  0  0  0  0  0  0 34  0  0
   -3.9928   -3.5323    0.2987 F   0  0  0  0  0  0  0  0  0 35  0  0
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    9.7497    2.4162    0.4349 H   0  0  0  0  0  0  0  0  0 59  0  0
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  2  1  1  0
  2  3  1  0
  2  7  1  0
  2 36  1  0
  3  4  1  0
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  8  9  1  0
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 31 32  1  0
 31 59  1  0
 31 60  1  0
 32 26  1  0
 33 61  1  0
 34 62  1  0
 19 63  1  0
M  CHG  1  19   1
M  END
> <Name>
comp146

> <EC_gyr_IC50>
8

$$$$
comp147
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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    0.8850   -0.0337    1.1247 C   0  0  0  0  0  0  0  0  0  6  0  0
   -2.6637   -0.9550    0.5554 C   0  0  2  0  0  0  0  0  0  7  0  0
   -3.7079   -0.8690   -0.5949 C   0  0  1  0  0  0  0  0  0  8  0  0
   -5.0781   -1.4204   -0.2039 C   0  0  0  0  0  0  0  0  0  9  0  0
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    7.6551    3.5781    0.8801 O   0  0  0  0  0  0  0  0  0 32  0  0
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   -4.0685   -3.5723   -0.1538 F   0  0  0  0  0  0  0  0  0 35  0  0
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  2  1  1  0
  2  3  1  0
  2  7  1  0
  2 36  1  0
  3  4  1  0
  3 37  1  0
  3 38  1  0
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  5 19  1  0
  5 41  1  0
  6  1  1  0
  6 42  1  0
  6 43  1  0
  7  8  1  0
  7 34  1  0
  7 44  1  0
  8  9  1  0
  8 33  1  0
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 10 15  1  0
 11 12  2  0
 12 13  1  0
 12 46  1  0
 13 14  2  0
 13 47  1  0
 14  9  1  0
 14 35  1  0
 15 16  2  0
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 16 21  1  0
 17 18  2  0
 17 48  1  0
 18 11  1  0
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 20 23  1  0
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 21 22  1  0
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 22 53  1  0
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 29 30  1  0
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 30 56  1  0
 30 57  1  0
 31 32  1  0
 31 58  1  0
 31 59  1  0
 32 26  1  0
 33 60  1  0
 34 61  1  0
 19 62  1  0
M  CHG  1  19   1
M  END
> <Name>
comp147

> <EC_gyr_IC50>
8

$$$$
comp148
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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   -6.9156   -0.6604    0.3020 C   0  0  0  0  0  0  0  0  0 10  0  0
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M  CHG  1  19   1
M  END
> <Name>
comp148

> <EC_gyr_IC50>
0.5

$$$$
comp149
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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M  CHG  1  19   1
M  END
> <Name>
comp149

> <EC_gyr_IC50>
8

$$$$
comp150
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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M  CHG  1  19   1
M  END
> <Name>
comp150

> <EC_gyr_IC50>
8

$$$$
comp151
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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M  CHG  1  28   1
M  END
> <Name>
comp151

> <EC_gyr_IC50>
8

$$$$
comp152
  SciTegic12152312193D

 62 66  0  0  0  0            999 V2000
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 19 62  1  0
M  CHG  1  19   1
M  END
> <Name>
comp152

> <EC_gyr_IC50>
8

$$$$
comp153
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
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 25 59  1  0
 28 60  1  0
 29 61  1  0
 32 62  1  0
 33 63  1  0
 29 64  1  0
M  CHG  1  29   1
M  END
> <Name>
comp153

> <EC_gyr_IC50>
2

$$$$
comp154
  SciTegic12152312193D

 64 68  0  0  0  0            999 V2000
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 25 59  1  0
 28 60  1  0
 29 61  1  0
 32 62  1  0
 33 63  1  0
 29 64  1  0
M  CHG  1  29   1
M  END
> <Name>
comp154

> <EC_gyr_IC50>
2

$$$$
comp155
  SciTegic12152312193D

 63 67  0  0  0  0            999 V2000
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M  CHG  1  29   1
M  END
> <Name>
comp155

> <EC_gyr_IC50>
0.5

$$$$
comp156
  SciTegic12152312193D

 62 67  0  0  0  0            999 V2000
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M  CHG  1  31   1
M  END
> <Name>
comp156

> <EC_gyr_IC50>
0.29

$$$$
comp157
  SciTegic12152312193D

 61 66  0  0  0  0            999 V2000
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 28 59  1  0
 31 60  1  0
 31 61  1  0
M  CHG  1  31   1
M  END
> <Name>
comp157

> <EC_gyr_IC50>
1,47

$$$$
comp158
  SciTegic12152312193D

 66 71  0  0  0  0            999 V2000
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  2 10  1  0
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 29 64  1  0
 32 65  1  0
 32 66  1  0
M  CHG  1  32   1
M  END
> <Name>
comp158

> <EC_gyr_IC50>
1,66

$$$$
comp159
  SciTegic12152312193D

 62 67  0  0  0  0            999 V2000
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 28 60  1  0
 31 61  1  0
 31 62  1  0
M  CHG  1  31   1
M  END
> <Name>
comp159

> <EC_gyr_IC50>
0.21

$$$$
comp160
  SciTegic12152312193D

 66 71  0  0  0  0            999 V2000
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    1.9878   -3.2743   -1.9128 H   0  0  0  0  0  0  0  0  0 49  0  0
    0.7303   -0.8921    2.2071 H   0  0  0  0  0  0  0  0  0 50  0  0
   -0.1807   -2.0837    1.2779 H   0  0  0  0  0  0  0  0  0 51  0  0
    0.9660   -3.9385    0.1898 H   0  0  0  0  0  0  0  0  0 52  0  0
    2.7178   -4.1054    0.3198 H   0  0  0  0  0  0  0  0  0 53  0  0
   -0.0366   -2.0785   -1.3065 H   0  0  0  0  0  0  0  0  0 54  0  0
    3.0569    1.1410    8.0812 H   0  0  0  0  0  0  0  0  0 55  0  0
    3.8661   -0.2968    8.7784 H   0  0  0  0  0  0  0  0  0 56  0  0
    2.0868   -0.2310    8.6778 H   0  0  0  0  0  0  0  0  0 57  0  0
   -0.5221    0.4572   -1.9708 H   0  0  0  0  0  0  0  0  0 58  0  0
   -0.8491   -0.9537   -2.9778 H   0  0  0  0  0  0  0  0  0 59  0  0
    3.8963   -3.0878    3.1833 H   0  0  0  0  0  0  0  0  0 60  0  0
    3.4921   -4.5313    2.2284 H   0  0  0  0  0  0  0  0  0 61  0  0
    1.0616   -4.0511    2.4751 H   0  0  0  0  0  0  0  0  0 62  0  0
    1.4252   -2.5931    3.4227 H   0  0  0  0  0  0  0  0  0 63  0  0
   -0.9964   -0.5805   -7.5402 H   0  0  0  0  0  0  0  0  0 64  0  0
    1.8232    0.0403   -2.1631 H   0  0  0  0  0  0  0  0  0 65  0  0
    1.5011   -1.3528   -3.1680 H   0  0  0  0  0  0  0  0  0 66  0  0
  1  2  1  0
  1  6  2  0
  2 10  2  0
  3  8  2  0
  3 10  1  0
  4  9  1  0
  4 11  2  0
  5  7  2  0
  5 35  1  0
  6  7  1  0
  6  8  1  0
  7 12  1  0
  8 30  1  0
  9 14  2  0
  9 36  1  0
 10 37  1  0
 11 13  1  0
 11 38  1  0
 12 15  1  0
 12 27  2  0
 13 24  1  0
 13 28  2  0
 14 28  1  0
 14 29  1  0
 15 30  1  0
 15 33  2  0
 16 17  1  0
 16 29  1  0
 16 34  2  0
 17 36  1  0
 18 20  1  0
 18 22  1  0
 19 21  1  0
 19 22  1  0
 20 31  1  0
 21 31  1  0
 22 32  1  0
 23 37  1  0
 24 32  1  0
 25 26  1  0
 25 30  1  0
 26 31  1  0
 27 35  1  0
  1 39  1  0
  2 40  1  0
  3 41  1  0
  4 42  1  0
  5 43  1  0
 17 44  1  0
 17 45  1  0
 18 46  1  0
 18 47  1  0
 19 48  1  0
 19 49  1  0
 20 50  1  0
 20 51  1  0
 21 52  1  0
 21 53  1  0
 22 54  1  0
 23 55  1  0
 23 56  1  0
 23 57  1  0
 24 58  1  0
 24 59  1  0
 25 60  1  0
 25 61  1  0
 26 62  1  0
 26 63  1  0
 29 64  1  0
 32 65  1  0
 32 66  1  0
M  CHG  1  32   1
M  END
> <Name>
comp160

> <EC_gyr_IC50>
0.23

$$$$
