Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.0732    2.8905    1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141    2.0553    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    1.6952   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    0.8841   -1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    0.4142   -2.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -0.4866   -3.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -1.9651   -3.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -2.5000   -1.8340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765   -3.0248   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440   -3.3391   -1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -3.1316    0.3214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -3.4419    1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2111   -3.2219    2.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012   -1.7865    2.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -0.9066    3.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510    0.6528    3.5543 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    0.0513    2.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8739    0.8255    1.2206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8154    0.2066    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9177    1.2508    0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1829    2.5628    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021    2.2234    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -1.2406    1.9257 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.7802   -2.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1977    0.3073   -2.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313    1.5722   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 17 23  2  0
  5 24  1  0
 24 25  1  0
 24 26  2  0
 26  2  1  0
 23 14  1  0
 22 18  1  0
M  END
>  <_Model>  (1) 
0

>  <_Energy>  (1) 
0

$$$$
Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.0732    2.8905    1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141    2.0553    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    1.6952   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    0.8841   -1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    0.4142   -2.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -0.4866   -3.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -1.9651   -3.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -2.5000   -1.8340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765   -3.0248   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440   -3.3391   -1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -3.1316    0.3214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -3.4419    1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2111   -3.2219    2.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012   -1.7865    2.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -0.9066    3.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510    0.6528    3.5543 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    0.0513    2.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8739    0.8255    1.2206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8154    0.2066    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9177    1.2508    0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1829    2.5628    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021    2.2234    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -1.2406    1.9257 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.7802   -2.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1977    0.3073   -2.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313    1.5722   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 17 23  2  0
  5 24  1  0
 24 25  1  0
 24 26  2  0
 26  2  1  0
 23 14  1  0
 22 18  1  0
M  END
>  <_Model>  (2) 
0

>  <_Energy>  (2) 
0

$$$$
Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.0732    2.8905    1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141    2.0553    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    1.6952   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    0.8841   -1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    0.4142   -2.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -0.4866   -3.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -1.9651   -3.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -2.5000   -1.8340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765   -3.0248   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440   -3.3391   -1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -3.1316    0.3214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -3.4419    1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2111   -3.2219    2.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012   -1.7865    2.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -0.9066    3.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510    0.6528    3.5543 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    0.0513    2.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8739    0.8255    1.2206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8154    0.2066    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9177    1.2508    0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1829    2.5628    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021    2.2234    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -1.2406    1.9257 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.7802   -2.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1977    0.3073   -2.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313    1.5722   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 17 23  2  0
  5 24  1  0
 24 25  1  0
 24 26  2  0
 26  2  1  0
 23 14  1  0
 22 18  1  0
M  END
>  <_Model>  (3) 
0

>  <_Energy>  (3) 
0

$$$$
Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.0732    2.8905    1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141    2.0553    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    1.6952   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    0.8841   -1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    0.4142   -2.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -0.4866   -3.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -1.9651   -3.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -2.5000   -1.8340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765   -3.0248   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440   -3.3391   -1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -3.1316    0.3214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -3.4419    1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2111   -3.2219    2.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012   -1.7865    2.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -0.9066    3.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510    0.6528    3.5543 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    0.0513    2.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8739    0.8255    1.2206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8154    0.2066    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9177    1.2508    0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1829    2.5628    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021    2.2234    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -1.2406    1.9257 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.7802   -2.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1977    0.3073   -2.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313    1.5722   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
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 14 15  2  0
 15 16  1  0
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 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 17 23  2  0
  5 24  1  0
 24 25  1  0
 24 26  2  0
 26  2  1  0
 23 14  1  0
 22 18  1  0
M  END
>  <_Model>  (4) 
0

>  <_Energy>  (4) 
0

$$$$
Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.0732    2.8905    1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141    2.0553    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    1.6952   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    0.8841   -1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    0.4142   -2.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -0.4866   -3.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -1.9651   -3.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -2.5000   -1.8340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765   -3.0248   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440   -3.3391   -1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -3.1316    0.3214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -3.4419    1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2111   -3.2219    2.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012   -1.7865    2.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -0.9066    3.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510    0.6528    3.5543 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1879    0.0513    2.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8739    0.8255    1.2206 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8154    0.2066    0.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9177    1.2508    0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1829    2.5628    0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2021    2.2234    1.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0060   -1.2406    1.9257 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292    0.7802   -2.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1977    0.3073   -2.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313    1.5722   -0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  9 10  2  0
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 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
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 18 19  1  0
 19 20  1  0
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 21 22  1  0
 17 23  2  0
  5 24  1  0
 24 25  1  0
 24 26  2  0
 26  2  1  0
 23 14  1  0
 22 18  1  0
M  END
>  <_Model>  (5) 
0

>  <_Energy>  (5) 
0

$$$$
Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.0732    2.8905    1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141    2.0553    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    1.6952   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    0.8841   -1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724    0.4142   -2.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2582   -0.4866   -3.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6313   -1.9651   -3.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1470   -2.5000   -1.8340 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9765   -3.0248   -0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440   -3.3391   -1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3108   -3.1316    0.3214 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0583   -3.4419    1.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2111   -3.2219    2.7901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012   -1.7865    2.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -0.9066    3.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510    0.6528    3.5543 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <_Model>  (6) 
0

>  <_Energy>  (6) 
0

$$$$
Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (7) 
0

>  <_Energy>  (7) 
0

$$$$
Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (8) 
0

>  <_Energy>  (8) 
0

$$$$
O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)CCN1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (9) 
0

>  <_Energy>  (9) 
0

$$$$
O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)CCN1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 24  8  1  0
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>  <_Model>  (10) 
0

>  <_Energy>  (10) 
0

$$$$
CCc1ccccc1NC(=O)C(=O)NC[C@H](C)C[C@@H](C)O
     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (11) 
0

>  <_Energy>  (11) 
0

$$$$
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccco2)c1
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (12) 
0

>  <_Energy>  (12) 
0

$$$$
Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (13) 
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>  <_Energy>  (13) 
0

$$$$
Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (14) 
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>  <_Energy>  (14) 
0

$$$$
Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (15) 
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$$$$
Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (16) 
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$$$$
Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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CC[C@H](NC(=O)[C@H]1CN(C)CCO1)c1ccc(Br)cc1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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CC[C@H](NC(=O)[C@H]1CN(C)CCO1)c1ccc(Br)cc1
     RDKit          3D

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CN(C)c1ccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cn1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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CN(C)c1ccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cn1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

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>  <_Model>  (23) 
0

>  <_Energy>  (23) 
0

$$$$
Cc1ccc2nccc(C(=O)N3CCC[C@H](C(=O)c4cccc5ccccc45)C3)c2c1
     RDKit          3D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (24) 
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>  <_Energy>  (24) 
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$$$$
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)C1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (25) 
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>  <_Energy>  (25) 
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$$$$
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)C1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (26) 
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$$$$
Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
     RDKit          3D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (27) 
0

>  <_Energy>  (27) 
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$$$$
Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
     RDKit          3D

 32 34  0  0  0  0  0  0  0  0999 V2000
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C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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$$$$
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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$$$$
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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$$$$
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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$$$$
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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$$$$
C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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Cc1ccc(-c2nc(CSc3ncn[nH]3)co2)c(C)c1
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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Cc1ccc(-c2nc(CSc3ncn[nH]3)co2)c(C)c1
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1
     RDKit          3D

 32 36  0  0  0  0  0  0  0  0999 V2000
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C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1
     RDKit          3D

 32 36  0  0  0  0  0  0  0  0999 V2000
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C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1
     RDKit          3D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (39) 
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$$$$
C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1
     RDKit          3D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (40) 
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$$$$
C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1
     RDKit          3D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (41) 
0

>  <_Energy>  (41) 
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$$$$
C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1
     RDKit          3D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (42) 
0

>  <_Energy>  (42) 
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$$$$
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21
     RDKit          3D

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 14  2  1  0
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 11  5  1  0
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M  END
>  <_Model>  (43) 
0

>  <_Energy>  (43) 
0

$$$$
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    5.0176   -1.0164    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7232    0.2755   -0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  5  4  1  1
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 14  2  1  0
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 11  5  1  0
 32 27  1  0
M  END
>  <_Model>  (44) 
0

>  <_Energy>  (44) 
0

$$$$
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  2  0
  3  4  1  0
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 14  2  1  0
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 11  5  1  0
 32 27  1  0
M  END
>  <_Model>  (45) 
0

>  <_Energy>  (45) 
0

$$$$
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 14  2  1  0
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 11  5  1  0
 32 27  1  0
M  END
>  <_Model>  (46) 
0

>  <_Energy>  (46) 
0

$$$$
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 14  2  1  0
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 11  5  1  0
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M  END
>  <_Model>  (47) 
0

>  <_Energy>  (47) 
0

$$$$
COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC
     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (48) 
0

>  <_Energy>  (48) 
0

$$$$
COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC
     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (49) 
0

>  <_Energy>  (49) 
0

$$$$
COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC
     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (50) 
0

>  <_Energy>  (50) 
0

$$$$
COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC
     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (51) 
0

>  <_Energy>  (51) 
0

$$$$
COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC
     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (52) 
0

>  <_Energy>  (52) 
0

$$$$
COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC
     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

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     RDKit          3D

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Cc1cccc2c(=O)n(CCC(=O)N(C)CCc3cccs3)cnc12
     RDKit          3D

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Cc1cccc2c(=O)n(CCC(=O)N(C)CCc3cccs3)cnc12
     RDKit          3D

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Cc1cccc2c(=O)n(CCC(=O)N(C)CCc3cccs3)cnc12
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>  <_Model>  (58) 
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>  <_Energy>  (58) 
0

$$$$
COc1ccc(Cc2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cc1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.6073   -2.5770   -0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <_Model>  (59) 
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>  <_Energy>  (59) 
0

$$$$
COc1ccc(Cc2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cc1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.6073   -2.5770   -0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <_Model>  (60) 
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>  <_Energy>  (60) 
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$$$$
COc1ccc(Cc2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cc1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (61) 
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>  <_Energy>  (61) 
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$$$$
COCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2F)CC1
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -5.3121    3.6088    2.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <_Model>  (62) 
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>  <_Energy>  (62) 
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$$$$
COCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2F)CC1
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (63) 
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>  <_Energy>  (63) 
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$$$$
O=C(Nc1ccc(F)c(F)c1)c1cccc(NC(=O)c2cccn3cncc23)c1
     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

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     RDKit          3D

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COc1ccc(F)cc1NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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COc1ccc(F)cc1NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (71) 
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C#CCOc1ccc(NC(=O)c2ccc(-c3nc(C)n[nH]3)cc2)cc1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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C#CCOc1ccc(NC(=O)c2ccc(-c3nc(C)n[nH]3)cc2)cc1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC([NH+]2CCCCC2)C1
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC([NH+]2CCCCC2)C1
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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CCc1nnc(SCCOc2ccc(F)cc2Cl)n1N
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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CCc1nnc(SCCOc2ccc(F)cc2Cl)n1N
     RDKit          3D

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CCc1nnc(SCCOc2ccc(F)cc2Cl)n1N
     RDKit          3D

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O[C@H](Cc1nccs1)C1CCCCC1
     RDKit          3D

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M  END
>  <_Model>  (81) 
0

>  <_Energy>  (81) 
0

$$$$
Cc1nn(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c(C)c1[N+](=O)[O-]
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -4.0158    0.6859   -2.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2  24   1  26  -1
M  END
>  <_Model>  (82) 
0

>  <_Energy>  (82) 
0

$$$$
Cc1nn(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c(C)c1[N+](=O)[O-]
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  24   1  26  -1
M  END
>  <_Model>  (83) 
0

>  <_Energy>  (83) 
0

$$$$
Cc1nn(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c(C)c1[N+](=O)[O-]
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  24   1  26  -1
M  END
>  <_Model>  (84) 
0

>  <_Energy>  (84) 
0

$$$$
COc1ccc(C(=O)C2CCN(c3cc(CSC)ccn3)CC2)cc1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (85) 
0

>  <_Energy>  (85) 
0

$$$$
COc1ccc(C(=O)C2CCN(c3cc(CSC)ccn3)CC2)cc1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (86) 
0

>  <_Energy>  (86) 
0

$$$$
CSc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)CN2C(=O)c4ccccc4C2=O)CC3)cc1
     RDKit          3D

 33 37  0  0  0  0  0  0  0  0999 V2000
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$$$$
COC(=O)Cc1ccc(C[NH+]2CC(C)(C)C2(C)C)s1
     RDKit          3D

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>  <_Model>  (88) 
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$$$$
Cc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1
     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (89) 
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>  <_Energy>  (89) 
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C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (90) 
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C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (91) 
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C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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$$$$
CC[C@@H]([C@H](O)c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (93) 
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$$$$
COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c(OC)c1
     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (94) 
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>  <_Energy>  (94) 
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$$$$
CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1
     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (95) 
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>  <_Energy>  (95) 
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$$$$
CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1
     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (96) 
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$$$$
CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1
     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (97) 
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$$$$
CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1
     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (98) 
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$$$$
CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1
     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

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     RDKit          3D

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CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

 36 40  0  0  0  0  0  0  0  0999 V2000
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CC(C)[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CCOCC1
     RDKit          3D

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>  <_Model>  (104) 
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$$$$
CC(C)[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CCOCC1
     RDKit          3D

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>  <_Model>  (105) 
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$$$$
CC(C)[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CCOCC1
     RDKit          3D

 21 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (106) 
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$$$$
CC(C)c1nnnn1CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (107) 
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$$$$
CC(C)c1nnnn1CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (108) 
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$$$$
CC(C)c1nnnn1CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (109) 
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$$$$
C[C@H]1CCC[C@@H](C)[C@H]1NC(=O)N[C@H](CO)Cc1ccccc1
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (110) 
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$$$$
C[C@H]1CCC[C@@H](C)[C@H]1NC(=O)N[C@H](CO)Cc1ccccc1
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (111) 
0

>  <_Energy>  (111) 
0

$$$$
C[C@H]1CCC[C@@H](C)[C@H]1NC(=O)N[C@H](CO)Cc1ccccc1
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (112) 
0

>  <_Energy>  (112) 
0

$$$$
O=c1[nH]c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12
     RDKit          3D

 28 32  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (113) 
0

>  <_Energy>  (113) 
0

$$$$
O=c1[nH]c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12
     RDKit          3D

 28 32  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (114) 
0

>  <_Energy>  (114) 
0

$$$$
Cc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (115) 
0

>  <_Energy>  (115) 
0

$$$$
Cc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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$$$$
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     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (117) 
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>  <_Energy>  (117) 
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$$$$
C[C@H](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(C(F)(F)F)cc1
     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (118) 
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>  <_Energy>  (118) 
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$$$$
C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl
     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (119) 
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>  <_Energy>  (119) 
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$$$$
C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl
     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (120) 
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>  <_Energy>  (120) 
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$$$$
C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl
     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (121) 
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>  <_Energy>  (121) 
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Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (122) 
0

>  <_Energy>  (122) 
0

$$$$
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (123) 
0

>  <_Energy>  (123) 
0

$$$$
COc1ccc([C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (124) 
0

>  <_Energy>  (124) 
0

$$$$
COc1ccc([C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (125) 
0

>  <_Energy>  (125) 
0

$$$$
Cn1ccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc1=O
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (126) 
0

>  <_Energy>  (126) 
0

$$$$
CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (127) 
0

>  <_Energy>  (127) 
0

$$$$
CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (128) 
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$$$$
CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (129) 
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>  <_Energy>  (129) 
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$$$$
CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (130) 
0

>  <_Energy>  (130) 
0

$$$$
CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (131) 
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>  <_Energy>  (131) 
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$$$$
COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (132) 
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>  <_Energy>  (132) 
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$$$$
COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (133) 
0

>  <_Energy>  (133) 
0

$$$$
COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (134) 
0

>  <_Energy>  (134) 
0

$$$$
COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (135) 
0

>  <_Energy>  (135) 
0

$$$$
COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (136) 
0

>  <_Energy>  (136) 
0

$$$$
COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (137) 
0

>  <_Energy>  (137) 
0

$$$$
CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (138) 
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>  <_Energy>  (138) 
0

$$$$
CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (139) 
0

>  <_Energy>  (139) 
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$$$$
CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (140) 
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>  <_Energy>  (140) 
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$$$$
CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (141) 
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>  <_Energy>  (141) 
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$$$$
CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (142) 
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$$$$
COc1cccc2cc(C(=O)NC[C@H]([C@@H]3CCOC3)N3CCOCC3)oc12
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (143) 
0

>  <_Energy>  (143) 
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$$$$
COc1cccc2cc(C(=O)NC[C@H]([C@@H]3CCOC3)N3CCOCC3)oc12
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (144) 
0

>  <_Energy>  (144) 
0

$$$$
Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)[NH+](C)C)cc1
     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (145) 
0

>  <_Energy>  (145) 
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$$$$
Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)[NH+](C)C)cc1
     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (146) 
0

>  <_Energy>  (146) 
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$$$$
Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)[NH+](C)C)cc1
     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (147) 
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>  <_Energy>  (147) 
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$$$$
CC(C)Cc1nnc(NC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)s1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (148) 
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$$$$
CC(C)Cc1nnc(NC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)s1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (149) 
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$$$$
Cc1csc(CN2CCN(c3[nH+]cccc3N)CC2)n1
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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C[C@@H](NC(=O)NC(C)(C)c1ccc(F)cc1Cl)[C@H]1CCCO1
     RDKit          3D

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C[C@@H](NC(=O)NC(C)(C)c1ccc(F)cc1Cl)[C@H]1CCCO1
     RDKit          3D

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Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (155) 
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Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (156) 
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Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (157) 
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COc1cccc(C(=O)CSc2nnc(CO)n2C2CC2)c1
     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (158) 
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$$$$
COc1cccc(C(=O)CSc2nnc(CO)n2C2CC2)c1
     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (159) 
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>  <_Energy>  (159) 
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$$$$
NS(=O)(=O)Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (160) 
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$$$$
C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (161) 
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$$$$
C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (162) 
0

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$$$$
C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (163) 
0

>  <_Energy>  (163) 
0

$$$$
C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (164) 
0

>  <_Energy>  (164) 
0

$$$$
C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (165) 
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>  <_Energy>  (165) 
0

$$$$
C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (166) 
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$$$$
CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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O=C(Nc1ccccc1SCC(F)(F)F)C(=O)N1CCC[C@H](O)C1
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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C[C@H](NCCN1CCOCC1)c1ccccc1
     RDKit          3D

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C[C@H](NCCN1CCOCC1)c1ccccc1
     RDKit          3D

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C[C@H](NCCN1CCOCC1)c1ccccc1
     RDKit          3D

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C[C@H](NCCN1CCOCC1)c1ccccc1
     RDKit          3D

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>  <_Model>  (174) 
0

>  <_Energy>  (174) 
0

$$$$
Cn1cc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)ccc1=O
     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (175) 
0

>  <_Energy>  (175) 
0

$$$$
Cn1cc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)ccc1=O
     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (176) 
0

>  <_Energy>  (176) 
0

$$$$
Cn1cc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)ccc1=O
     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (177) 
0

>  <_Energy>  (177) 
0

$$$$
c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1
     RDKit          3D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (178) 
0

>  <_Energy>  (178) 
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$$$$
c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1
     RDKit          3D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (179) 
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>  <_Energy>  (179) 
0

$$$$
c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1
     RDKit          3D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (180) 
0

>  <_Energy>  (180) 
0

$$$$
c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1
     RDKit          3D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (181) 
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>  <_Energy>  (181) 
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$$$$
c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1
     RDKit          3D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (182) 
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>  <_Energy>  (182) 
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$$$$
c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1
     RDKit          3D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (183) 
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>  <_Energy>  (183) 
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$$$$
c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1
     RDKit          3D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (184) 
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>  <_Energy>  (184) 
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$$$$
O=C([O-])C[C@H]([NH2+]Cc1ccco1)C(=O)Nc1cccc(O)c1
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (185) 
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$$$$
CCO[C@H]1C[C@H](NC(=O)NCc2ncccc2C)C12CCCC2
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (186) 
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>  <_Energy>  (186) 
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$$$$
CCO[C@H]1C[C@H](NC(=O)NCc2ncccc2C)C12CCCC2
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (187) 
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>  <_Energy>  (187) 
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$$$$
C[C@H](Cn1cccn1)[NH2+]Cc1cccs1
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (188) 
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>  <_Energy>  (188) 
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$$$$
C[C@H](Cn1cccn1)[NH2+]Cc1cccs1
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (189) 
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>  <_Energy>  (189) 
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$$$$
C[C@H](Cn1cccn1)[NH2+]Cc1cccs1
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (190) 
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>  <_Energy>  (190) 
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$$$$
C[C@H](Cn1cccn1)[NH2+]Cc1cccs1
     RDKit          3D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (191) 
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>  <_Energy>  (191) 
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$$$$
CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (192) 
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$$$$
CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (193) 
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$$$$
CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (194) 
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>  <_Energy>  (194) 
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$$$$
CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (195) 
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$$$$
CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (196) 
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$$$$
CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (197) 
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$$$$
CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

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>  <_Model>  (200) 
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     RDKit          3D

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     RDKit          3D

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CC[C@H](C)CN(C)C(=O)NCc1cccc(NC(C)=O)c1
     RDKit          3D

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>  <_Model>  (203) 
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$$$$
C[C@H]([NH2+]CCc1nccn1C)[C@@H](C)C(=O)[O-]
     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (204) 
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$$$$
C[C@H]([NH2+]CCc1nccn1C)[C@@H](C)C(=O)[O-]
     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (205) 
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$$$$
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccs1
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (206) 
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>  <_Energy>  (206) 
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$$$$
Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccs1
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (207) 
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$$$$
C[C@H](Nc1ccc2[nH]ccc2c1)c1cc(F)cc(F)c1
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (208) 
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$$$$
Cc1cccn2c(=O)c(C(=O)NCc3n[nH]c(=S)n3C3CC3)cnc12
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (209) 
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$$$$
Cc1cccn2c(=O)c(C(=O)NCc3n[nH]c(=S)n3C3CC3)cnc12
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (210) 
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$$$$
CC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1C
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (211) 
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>  <_Energy>  (211) 
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$$$$
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (212) 
0

>  <_Energy>  (212) 
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$$$$
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (213) 
0

>  <_Energy>  (213) 
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$$$$
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (214) 
0

>  <_Energy>  (214) 
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$$$$
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (215) 
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$$$$
O=C(NCc1cn2cc(Br)ccc2n1)Nc1cn[nH]c1
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (216) 
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$$$$
O=C(NCc1cn2cc(Br)ccc2n1)Nc1cn[nH]c1
     RDKit          3D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (217) 
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$$$$
CC(=O)c1ccc(NCC(C)(C)N2CCOCC2)c([N+](=O)[O-])c1
     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (218) 
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$$$$
CC(=O)c1ccc(NCC(C)(C)N2CCOCC2)c([N+](=O)[O-])c1
     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (219) 
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$$$$
COc1cc(/C=C/C(=O)N[C@@H](C)c2cn(C)nc2C)cc(OC)c1
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (220) 
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$$$$
COc1cc(/C=C/C(=O)N[C@@H](C)c2cn(C)nc2C)cc(OC)c1
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (221) 
0

>  <_Energy>  (221) 
0

$$$$
COc1cc(/C=C/C(=O)N[C@@H](C)c2cn(C)nc2C)cc(OC)c1
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (222) 
0

>  <_Energy>  (222) 
0

$$$$
COc1cc(/C=C/C(=O)N[C@@H](C)c2cn(C)nc2C)cc(OC)c1
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (223) 
0

>  <_Energy>  (223) 
0

$$$$
O=C(/C=C/c1cc(Br)cs1)N[C@@H]1CCS(=O)(=O)C1
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0
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>  <_Model>  (224) 
0

>  <_Energy>  (224) 
0

$$$$
O=C(/C=C/c1cc(Br)cs1)N[C@@H]1CCS(=O)(=O)C1
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (225) 
0

>  <_Energy>  (225) 
0

$$$$
CCOc1c(F)cccc1C(=O)Nc1ccccc1-n1nnnc1CC
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (226) 
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>  <_Energy>  (226) 
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$$$$
CCOc1c(F)cccc1C(=O)Nc1ccccc1-n1nnnc1CC
     RDKit          3D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (227) 
0

>  <_Energy>  (227) 
0

$$$$
CCc1nc(C[NH+]2CCC(CNc3ccc(Cl)cn3)CC2)cs1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   7   1
M  END
>  <_Model>  (228) 
0

>  <_Energy>  (228) 
0

$$$$
Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC1=CCCC1
     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (229) 
0

>  <_Energy>  (229) 
0

$$$$
Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC1=CCCC1
     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (230) 
0

>  <_Energy>  (230) 
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$$$$
C[C@H](C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)n1cccn1
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (231) 
0

>  <_Energy>  (231) 
0

$$$$
C[C@H](C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)n1cccn1
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (232) 
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>  <_Energy>  (232) 
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$$$$
C[C@H](C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)n1cccn1
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (233) 
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$$$$
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     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (234) 
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>  <_Energy>  (234) 
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$$$$
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     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (235) 
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>  <_Energy>  (235) 
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$$$$
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     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (236) 
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>  <_Energy>  (236) 
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$$$$
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1
     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (237) 
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>  <_Energy>  (237) 
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$$$$
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     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
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$$$$
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1
     RDKit          3D

 28 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (239) 
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$$$$
CCOC(=O)c1c(C)csc1NC(=O)c1occc1Br
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (240) 
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$$$$
CCn1c(C[C@](C)(O)[C@@H]2CCC[NH2+]C2)nc2ccccc21
     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (241) 
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CC[NH2+][C@H](Cc1cc(CC)nn1C)[C@@H]1CN(CC)CCO1
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1
     RDKit          3D

 31 34  0  0  0  0  0  0  0  0999 V2000
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$$$$
COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1
     RDKit          3D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (244) 
0

>  <_Energy>  (244) 
0

$$$$
COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1
     RDKit          3D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  0
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M  END
>  <_Model>  (245) 
0

>  <_Energy>  (245) 
0

$$$$
Cc1nnc(SCCC(=O)Nc2cccc(F)c2)s1
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.1938    2.1515   -1.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19  2  1  0
 18 12  1  0
M  END
>  <_Model>  (246) 
0

>  <_Energy>  (246) 
0

$$$$
Cc1nnc(SCCC(=O)Nc2cccc(F)c2)s1
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.1938    2.1515   -1.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <_Model>  (247) 
0

>  <_Energy>  (247) 
0

$$$$
Cc1nnc(SCCC(=O)Nc2cccc(F)c2)s1
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.1938    2.1515   -1.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <_Model>  (248) 
0

>  <_Energy>  (248) 
0

$$$$
Cc1nnc(SCCC(=O)Nc2cccc(F)c2)s1
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.1938    2.1515   -1.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <_Model>  (249) 
0

>  <_Energy>  (249) 
0

$$$$
Cc1nnc(SCCC(=O)Nc2cccc(F)c2)s1
     RDKit          3D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.1938    2.1515   -1.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <_Model>  (250) 
0

>  <_Energy>  (250) 
0

$$$$
COc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
    5.2700   -3.6030    0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0
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M  END
>  <_Model>  (251) 
0

>  <_Energy>  (251) 
0

$$$$
COc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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M  END
>  <_Model>  (252) 
0

>  <_Energy>  (252) 
0

$$$$
COc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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  4  5  1  0
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 10 11  2  0
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 15 30  1  0
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 32  3  1  0
 31 12  1  0
 29 18  1  0
 29 24  1  0
M  END
>  <_Model>  (253) 
0

>  <_Energy>  (253) 
0

$$$$
COc1ccc(-c2noc(C[NH+]3CCN(Cn4c(=O)n(C)c5ccccc54)CC3)n2)cc1
     RDKit          3D

 32 36  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  3  4  2  0
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 32  3  1  0
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M  CHG  1  12   1
M  END
>  <_Model>  (254) 
0

>  <_Energy>  (254) 
0

$$$$
COc1ccc(-c2noc(C[NH+]3CCN(Cn4c(=O)n(C)c5ccccc54)CC3)n2)cc1
     RDKit          3D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (255) 
0

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$$$$
CCc1ccc([C@H](CO)NC(=O)c2cnn(C(C)(C)C)c2)cc1
     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (256) 
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>  <_Energy>  (256) 
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$$$$
CCc1ccc([C@H](CO)NC(=O)c2cnn(C(C)(C)C)c2)cc1
     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (257) 
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Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1
     RDKit          3D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (258) 
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$$$$
Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1
     RDKit          3D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (259) 
0

>  <_Energy>  (259) 
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$$$$
CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

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     RDKit          3D

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     RDKit          3D

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     RDKit          3D

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     RDKit          3D

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     RDKit          3D

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     RDKit          3D

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O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1
     RDKit          3D

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O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1
     RDKit          3D

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O=C(NCc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@@H](C3CC3)C2)CC1
     RDKit          3D

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O=C(NCc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@@H](C3CC3)C2)CC1
     RDKit          3D

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$$$$
O=C(Nc1ccccc1F)c1cc(=O)c2cc(Cl)cc(Cl)c2o1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (272) 
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$$$$
CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc2ccccc2[nH]1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (273) 
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>  <_Energy>  (273) 
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$$$$
CC(C)(CNC(=O)c1cccc(F)n1)c1ccncc1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (274) 
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>  <_Energy>  (274) 
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$$$$
CC(C)(CNC(=O)c1cccc(F)n1)c1ccncc1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (275) 
0

>  <_Energy>  (275) 
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$$$$
CC(C)(CNC(=O)c1cccc(F)n1)c1ccncc1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (276) 
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>  <_Energy>  (276) 
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$$$$
Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (277) 
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>  <_Energy>  (277) 
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$$$$
Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (278) 
0

>  <_Energy>  (278) 
0

$$$$
Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (279) 
0

>  <_Energy>  (279) 
0

$$$$
Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (280) 
0

>  <_Energy>  (280) 
0

$$$$
Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (281) 
0

>  <_Energy>  (281) 
0

$$$$
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC=CCC1
     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 17  2  1  6
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 16  4  1  0
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 14  9  1  0
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>  <_Model>  (282) 
0

>  <_Energy>  (282) 
0

$$$$
O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC=CCC1
     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
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C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)[C@@H](C)C1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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CC[NH+](CC)[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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CC[NH+](CC)[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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COc1ccc(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)cc1OC
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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COc1ccc(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)cc1OC
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (295) 
0

>  <_Energy>  (295) 
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$$$$
CCCN(C[C@@H]1CCCCO1)c1cc(C)c([N+](=O)[O-])cn1
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (296) 
0

>  <_Energy>  (296) 
0

$$$$
CCn1ccnc1SCCN1C(=O)NC2(CCCC2)C1=O
     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (297) 
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>  <_Energy>  (297) 
0

$$$$
Cc1nc(NC(=O)c2cccc(SC(C)C)c2)sc1C
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (298) 
0

>  <_Energy>  (298) 
0

$$$$
O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1
     RDKit          3D

 29 33  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (299) 
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>  <_Energy>  (299) 
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$$$$
O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1
     RDKit          3D

 29 33  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (300) 
0

>  <_Energy>  (300) 
0

$$$$
O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1
     RDKit          3D

 29 33  0  0  0  0  0  0  0  0999 V2000
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$$$$
O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1
     RDKit          3D

 29 33  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (302) 
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$$$$
O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1
     RDKit          3D

 29 33  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (303) 
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$$$$
CCCCCNC(=O)N(C)CCS(C)(=O)=O
     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (304) 
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$$$$
CCc1noc(C)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (305) 
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$$$$
CCc1noc(C)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1
     RDKit          3D

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>  <_Model>  (306) 
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$$$$
Cc1cc(NC(=O)[C@H](c2ccccc2)N2CC[N@H+](C)C[C@@H]2C)no1
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (307) 
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$$$$
CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1
     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (308) 
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>  <_Energy>  (308) 
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$$$$
CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1
     RDKit          3D

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>  <_Model>  (309) 
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$$$$
CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1
     RDKit          3D

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>  <_Model>  (310) 
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$$$$
CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1
     RDKit          3D

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>  <_Model>  (311) 
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$$$$
CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1
     RDKit          3D

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     RDKit          3D

 25 27  0  0  0  0  0  0  0  0999 V2000
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CO[C@@H](CNCc1ccc(-n2cncn2)cc1)c1ccc(F)cc1
     RDKit          3D

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CO[C@@H](CNCc1ccc(-n2cncn2)cc1)c1ccc(F)cc1
     RDKit          3D

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CO[C@@H](CNCc1ccc(-n2cncn2)cc1)c1ccc(F)cc1
     RDKit          3D

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CO[C@@H](CNCc1ccc(-n2cncn2)cc1)c1ccc(F)cc1
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$$$$
CN(C(=O)c1ccc(F)c(F)c1F)c1cc(F)ccc1F
     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (319) 
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$$$$
Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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$$$$
Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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$$$$
Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (322) 
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Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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$$$$
Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Energy>  (324) 
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$$$$
Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (325) 
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>  <_Energy>  (325) 
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$$$$
Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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$$$$
Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (327) 
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O=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1ccccc1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (328) 
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$$$$
CCOC(=O)c1c(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)sc2c1CCCC2
     RDKit          3D

 31 34  0  0  0  0  0  0  0  0999 V2000
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$$$$
CCOC(=O)c1c(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)sc2c1CCCC2
     RDKit          3D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (330) 
0

>  <_Energy>  (330) 
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$$$$
Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1
     RDKit          3D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (331) 
0

>  <_Energy>  (331) 
0

$$$$
Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1
     RDKit          3D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (332) 
0

>  <_Energy>  (332) 
0

$$$$
Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1
     RDKit          3D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (333) 
0

>  <_Energy>  (333) 
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$$$$
Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1
     RDKit          3D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (334) 
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>  <_Energy>  (334) 
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$$$$
Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1
     RDKit          3D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <_Energy>  (335) 
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$$$$
COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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$$$$
COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (337) 
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>  <_Energy>  (337) 
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$$$$
COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (338) 
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$$$$
COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (339) 
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$$$$
C[C@H](CNC(=O)[C@H]1CCCCC[C@@H]1[NH3+])C(=O)[O-]
     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (340) 
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>  <_Energy>  (340) 
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$$$$
C[C@H](CNC(=O)[C@H]1CCCCC[C@@H]1[NH3+])C(=O)[O-]
     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  1
  2  3  1  0
  3  4  1  0
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 10 11  1  0
 11 12  1  0
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 13 14  1  6
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 13  7  1  0
M  CHG  2  14   1  17  -1
M  END
>  <_Model>  (341) 
0

>  <_Energy>  (341) 
0

$$$$
C1=C(c2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)CN=N1
     RDKit          3D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -4.9811    0.0341   -1.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0517   -0.5158   -2.4487 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
 11 12  2  0
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 17 18  1  0
 18 19  1  0
  7 20  2  0
  2 21  1  0
 21 22  1  0
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 23  1  1  0
 20  3  1  0
 16 11  1  0
 19 14  1  0
M  CHG  1   9   1
M  END
>  <_Model>  (342) 
0

>  <_Energy>  (342) 
0

$$$$
Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.9377   -1.8762   -4.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274   -1.4827   -2.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1206   -1.4797   -1.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0
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 25  2  1  0
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M  END
>  <_Model>  (343) 
0

>  <_Energy>  (343) 
0

$$$$
Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.9377   -1.8762   -4.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274   -1.4827   -2.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8053   -0.3692    1.8146 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4737    2.1004    2.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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 25  2  1  0
 22 16  1  0
M  END
>  <_Model>  (344) 
0

>  <_Energy>  (344) 
0

$$$$
Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.9377   -1.8762   -4.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25  2  1  0
 22 16  1  0
M  END
>  <_Model>  (345) 
0

>  <_Energy>  (345) 
0

$$$$
Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.9377   -1.8762   -4.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  3  4  1  0
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 25  2  1  0
 22 16  1  0
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>  <_Model>  (346) 
0

>  <_Energy>  (346) 
0

$$$$
Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.9377   -1.8762   -4.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8053   -0.3692    1.8146 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0116    1.3241    1.6925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4737    2.1004    2.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024    3.4158    2.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5093    3.3668    2.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3594    2.6399    0.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414    1.9858   -0.0525 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5333   -0.2396    0.9827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1540   -1.5844    0.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5252   -2.0898   -0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6536    0.0580   -1.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1474   -1.1418   -0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4718   -1.1635    0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1206   -1.4797   -1.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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  6  8  2  0
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  9 10  1  0
 10 11  1  0
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 12 14  1  0
 14 15  1  0
 15 16  1  0
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 17 18  1  0
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 19 21  1  0
 21 22  2  0
  5 23  1  0
 23 24  1  0
 23 25  2  0
 25  2  1  0
 22 16  1  0
M  END
>  <_Model>  (347) 
0

>  <_Energy>  (347) 
0

$$$$
Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1
     RDKit          3D

 25 26  0  0  0  0  0  0  0  0999 V2000
   -0.9377   -1.8762   -4.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9274   -1.4827   -2.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5501   -0.6223    2.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116    1.3241    1.6925 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4737    2.1004    2.8492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1024    3.4158    2.3459 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5093    3.3668    2.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3594    2.6399    0.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414    1.9858   -0.0525 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2998    0.5888   -0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1474   -1.1418   -0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
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  6  8  2  0
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  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
  5 23  1  0
 23 24  1  0
 23 25  2  0
 25  2  1  0
 22 16  1  0
M  END
>  <_Model>  (348) 
0

>  <_Energy>  (348) 
0

$$$$
COC(=O)N[C@H](Cc1ccccc1)C(N)=O
     RDKit          3D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.5093    2.8258    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6231   -1.2442    0.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2626   -0.9827   -1.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2780   -3.7842    0.8805 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
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  6  7  1  1
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  6 14  1  0
 14 15  1  0
 14 16  2  0
 13  8  1  0
M  END
>  <_Model>  (349) 
0

>  <_Energy>  (349) 
0

$$$$
C[NH+]1CCC(Cc2noc(-c3ccc([C@@H]4CCCO4)s3)n2)CC1
     RDKit          3D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -5.7857    1.3328   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7532    0.6210   -0.7104 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3590    1.4300    0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2234    0.7261    1.2310 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6476   -1.2173    0.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8607   -0.5635    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2662    0.7102    0.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3401   -0.0122   -1.4192 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4739   -0.6751   -0.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0664   -1.4933    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1964   -0.7754   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
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 10 11  1  0
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 13 14  2  0
 15 14  1  0
 15 16  1  1
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 18 19  1  0
 14 20  1  0
 10 21  2  0
  5 22  1  0
 22 23  1  0
 23  2  1  0
 21  7  1  0
 20 11  1  0
 19 15  1  0
M  CHG  1   2   1
M  END
>  <_Model>  (350) 
0

>  <_Energy>  (350) 
0

$$$$
C[NH+]1CCC(Cc2noc(-c3ccc([C@@H]4CCCO4)s3)n2)CC1
     RDKit          3D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -5.7857    1.3328   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7532    0.6210   -0.7104 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6476   -1.2173    0.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3401   -0.0122   -1.4192 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -0.2804   -0.6468    1.5040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0664   -1.4933    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1964   -0.7754   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  2  3  1  0
  3  4  1  0
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  8  9  1  0
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 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 15 14  1  0
 15 16  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 14 20  1  0
 10 21  2  0
  5 22  1  0
 22 23  1  0
 23  2  1  0
 21  7  1  0
 20 11  1  0
 19 15  1  0
M  CHG  1   2   1
M  END
>  <_Model>  (351) 
0

>  <_Energy>  (351) 
0

$$$$
C[NH+]1CCC(Cc2noc(-c3ccc([C@@H]4CCCO4)s3)n2)CC1
     RDKit          3D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -5.7857    1.3328   -1.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7532    0.6210   -0.7104 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0664   -1.4933    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1964   -0.7754   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 15 14  1  0
 15 16  1  1
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 17 18  1  0
 18 19  1  0
 14 20  1  0
 10 21  2  0
  5 22  1  0
 22 23  1  0
 23  2  1  0
 21  7  1  0
 20 11  1  0
 19 15  1  0
M  CHG  1   2   1
M  END
>  <_Model>  (352) 
0

>  <_Energy>  (352) 
0

$$$$
COc1ccccc1OCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
   -2.6906   -0.5870    2.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1389   -2.2812   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9145   -1.6340   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586   -1.3411   -1.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0
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  4  5  1  0
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M  CHG  1  30   1
M  END
>  <_Model>  (353) 
0

>  <_Energy>  (353) 
0

$$$$
COc1ccccc1OCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0
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>  <_Model>  (354) 
0

>  <_Energy>  (354) 
0

$$$$
COc1ccccc1OCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1
     RDKit          3D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (355) 
0

>  <_Energy>  (355) 
0

$$$$
CCc1ccc([C@H](C)CC(=O)N[C@@H]2CC=CCC2)cc1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (356) 
0

>  <_Energy>  (356) 
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$$$$
CCc1ccc([C@H](C)CC(=O)N[C@@H]2CC=CCC2)cc1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (357) 
0

>  <_Energy>  (357) 
0

$$$$
CCc1ccc([C@H](C)CC(=O)N[C@@H]2CC=CCC2)cc1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (358) 
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>  <_Energy>  (358) 
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$$$$
CCc1ccc([C@H](C)CC(=O)N[C@@H]2CC=CCC2)cc1
     RDKit          3D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (359) 
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>  <_Energy>  (359) 
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$$$$
CCOc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3S(C)(=O)=O)sc2c1
     RDKit          3D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (360) 
0

>  <_Energy>  (360) 
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$$$$
O=C(N[C@@H](CO)c1ccco1)c1c[nH]nc1-c1ccc(Cl)cc1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (361) 
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>  <_Energy>  (361) 
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$$$$
O=C(N[C@@H](CO)c1ccco1)c1c[nH]nc1-c1ccc(Cl)cc1
     RDKit          3D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (362) 
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$$$$
CSCC[C@@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1
     RDKit          3D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (363) 
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>  <_Energy>  (363) 
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$$$$
Cc1cccc2sc(NC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)nc12
     RDKit          3D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (364) 
0

>  <_Energy>  (364) 
0

$$$$
Cc1cccc2sc(NC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)nc12
     RDKit          3D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
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 25 26  1  0
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 26  6  2  0
 23 14  1  0
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M  END
>  <_Model>  (365) 
0

>  <_Energy>  (365) 
0

$$$$
Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.4373   -0.8088   -3.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25  5  1  0
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M  END
>  <_Model>  (366) 
0

>  <_Energy>  (366) 
0

$$$$
Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.4373   -0.8088   -3.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25  5  1  0
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M  END
>  <_Model>  (367) 
0

>  <_Energy>  (367) 
0

$$$$
Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (368) 
0

>  <_Energy>  (368) 
0

$$$$
Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (369) 
0

>  <_Energy>  (369) 
0

$$$$
Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (370) 
0

>  <_Energy>  (370) 
0

$$$$
Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1
     RDKit          3D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 22 17  1  0
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>  <_Model>  (371) 
0

>  <_Energy>  (371) 
0

$$$$
C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)CC1
     RDKit          3D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 27 12  1  0
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>  <_Model>  (372) 
0

>  <_Energy>  (372) 
0

$$$$
CCOC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1   9   1
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>  <_Model>  (373) 
0

>  <_Energy>  (373) 
0

$$$$
CCOC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (374) 
0

>  <_Energy>  (374) 
0

$$$$
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccccc1
     RDKit          3D

 29 32  0  0  0  0  0  0  0  0999 V2000
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     RDKit          3D

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$$$$
C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccncc1
     RDKit          3D

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>  <_Model>  (377) 
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$$$$
C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(-n2cncn2)cc1
     RDKit          3D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (378) 
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$$$$
C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(-n2cncn2)cc1
     RDKit          3D

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>  <_Model>  (379) 
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$$$$
c1ccc2c(c1)CC(CC[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2
     RDKit          3D

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$$$$
C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <_Model>  (381) 
0

>  <_Energy>  (381) 
0

$$$$
C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0
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M  END
>  <_Model>  (382) 
0

>  <_Energy>  (382) 
0

$$$$
C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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 11  2  1  0
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M  END
>  <_Model>  (383) 
0

>  <_Energy>  (383) 
0

$$$$
C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
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 11  2  1  0
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M  END
>  <_Model>  (384) 
0

>  <_Energy>  (384) 
0

$$$$
C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
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 13 14  1  0
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 17 18  1  1
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 11  2  1  0
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 26 21  1  0
M  END
>  <_Model>  (385) 
0

>  <_Energy>  (385) 
0

$$$$
C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1
     RDKit          3D

 27 30  0  0  0  0  0  0  0  0999 V2000
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$$$$
Cc1ccc(N2C[C@H](C(=O)N(c3ccc(C)cc3)[C@@H]3C=CS(=O)(=O)C3)CC2=O)cc1
     RDKit          3D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (387) 
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$$$$
O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(Cc2nc3ccccc3s2)CC1
     RDKit          3D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (388) 
0

>  <_Energy>  (388) 
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$$$$
O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(Cc2nc3ccccc3s2)CC1
     RDKit          3D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (389) 
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>  <_Energy>  (389) 
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$$$$
O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(Cc2nc3ccccc3s2)CC1
     RDKit          3D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (390) 
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>  <_Energy>  (390) 
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$$$$
CC[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1)c1c(C)nn(C)c1C
     RDKit          3D

 27 28  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (391) 
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>  <_Energy>  (391) 
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$$$$
COc1cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)cc(Br)c1O
     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (392) 
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>  <_Energy>  (392) 
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$$$$
CC1(C)CC[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)c2ccccc21
     RDKit          3D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (393) 
0

>  <_Energy>  (393) 
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$$$$
CC1(C)CC[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)c2ccccc21
     RDKit          3D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (394) 
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>  <_Energy>  (394) 
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$$$$
CC1(C)CC[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)c2ccccc21
     RDKit          3D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (395) 
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>  <_Energy>  (395) 
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$$$$
CC1(C)CC[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)c2ccccc21
     RDKit          3D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (396) 
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>  <_Energy>  (396) 
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$$$$
Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1
     RDKit          3D

 29 31  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (397) 
0

>  <_Energy>  (397) 
0

$$$$
Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1
     RDKit          3D

 29 31  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (398) 
0

>  <_Energy>  (398) 
0

$$$$
Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2)c(C)c1
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (399) 
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>  <_Energy>  (399) 
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$$$$
Cc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1C1CC1
     RDKit          3D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <_Model>  (400) 
0

>  <_Energy>  (400) 
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$$$$
