CNC(c1c2OCCOc2ccc1)=O
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    0.0000    2.4249    0.0000 O   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
 10  5  2
  9 10  1
 10 11  1
 11 12  2
 13  4  2
 12 13  1
  3  4  1
  3 14  2
M  END
> <Smiles>
CNC(c1c2OCCOc2ccc1)=O

$$$$
CNC(c1ccccc1OC)=O
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  2
  5  6  1
  6  7  2
  7  8  1
  9  4  1
  8  9  2
  9 10  1
 10 11  1
  3  4  1
  3 12  2
M  END
> <Smiles>
CNC(c1ccccc1OC)=O

$$$$
CNC(c1c2ccccc2ccc1)=O
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    0.0000    2.4249    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  2
 13  4  2
 12 13  1
  3  4  1
  3 14  2
M  END
> <Smiles>
CNC(c1c2ccccc2ccc1)=O

$$$$
CC(N(c1cccc(NC(C)=O)c1)C)=O
  MOLSOFT 07291514422D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9 10  1
 10 11  1
 10 12  2
  8  9  1
 13  4  2
  8 13  1
  3  4  1
  3 14  1
  2  3  1
  2 15  2
M  END
> <Smiles>
CC(N(c1cccc(NC(C)=O)c1)C)=O

$$$$
CC(N(c1cccc(NC(C)=O)c1)C)=O
  MOLSOFT 07291514422D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9 10  1
 10 11  1
 10 12  2
  8  9  1
 13  4  2
  8 13  1
  3  4  1
  3 14  1
  2  3  1
  2 15  2
M  END
> <Smiles>
CC(N(c1cccc(NC(C)=O)c1)C)=O

$$$$
CC(N(c1cccc(NS(C)(=O)=O)c1)C)=O
  MOLSOFT 07291514422D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 S   0  0  0
    4.2000   -3.8249    0.0000 C   0  0  0
    4.2000   -1.0249    0.0000 O   0  0  0
    5.6000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9 10  1
 10 11  1
 10 12  2
 10 13  2
  8  9  1
 14  4  2
  8 14  1
  3  4  1
  3 15  1
  2  3  1
  2 16  2
M  END
> <Smiles>
CC(N(c1cccc(NS(C)(=O)=O)c1)C)=O

$$$$
c1c2c(-c3ccccc3)cc(=O)[n](C)c2ccc1
  MOLSOFT 07291514422D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    0.0000    2.4249    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  3  4  1
  3 10  2
 10 11  1
 11 12  2
 11 13  1
 13 14  1
 15  2  1
 13 15  1
 15 16  2
 16 17  1
 18  1  1
 17 18  2
M  END
> <Smiles>
c1c2c(-c3ccccc3)cc(=O)[n](C)c2ccc1

$$$$
CN(c1ccc(-c2c3ccccc3[n](C)c(=O)c2)cc1)C
  MOLSOFT 07291514422D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 O   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  8  1
 12 13  2
 13 14  1
 14 15  1
 14 16  1
 16 17  2
 18  7  2
 16 18  1
  6  7  1
  6 19  2
 20  3  2
 19 20  1
  2  3  1
  2 21  1
M  END
> <Smiles>
CN(c1ccc(-c2c3ccccc3[n](C)c(=O)c2)cc1)C

$$$$
c1c(N2S(=O)(=O)CCCC2)ccc[n]1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 S   0  0  0
   -2.7156    1.9460    0.0000 O   0  0  0
   -1.1569    1.0461    0.0000 O   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
    0.0000    4.8497    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
  1  2  2
  3  4  1
  4  5  2
  4  6  2
  4  7  1
  7  8  1
  8  9  1
 10  3  1
  9 10  1
  2  3  1
  2 11  1
 11 12  2
 12 13  1
 14  1  1
 13 14  2
M  END
> <Smiles>
c1c(N2S(=O)(=O)CCCC2)ccc[n]1

$$$$
o1c(C(Nc2cc[n]cc2)=O)cc(C)[n]1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -2.2770    6.7496    0.0000 N   0  0  0
   -0.9076    6.4585    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  3  4  1
  3 11  2
  2  3  1
  2 12  2
 12 13  1
 13 14  1
 15  1  1
 13 15  2
M  END
> <Smiles>
o1c(C(Nc2cc[n]cc2)=O)cc(C)[n]1

$$$$
C1C(c2[n]oc(-c3c[n]c(O)cc3)[n]2)C1
  MOLSOFT 07291514422D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    1.2124    0.7000    0.0000 C   0  0  0
    1.9124    1.9124    0.0000 C   0  0  0
    1.3430    3.1914    0.0000 N   0  0  0
    2.3834    4.1282    0.0000 O   0  0  0
    3.5958    3.4282    0.0000 C   0  0  0
    4.8748    3.9976    0.0000 C   0  0  0
    5.0211    5.3899    0.0000 C   0  0  0
    6.3001    5.9594    0.0000 N   0  0  0
    7.4327    5.1365    0.0000 C   0  0  0
    8.7117    5.7059    0.0000 O   0  0  0
    7.2864    3.7441    0.0000 C   0  0  0
    6.0074    3.1747    0.0000 C   0  0  0
    3.3048    2.0588    0.0000 N   0  0  0
    1.2124   -0.7000    0.0000 C   0  0  0
  1  2  1
  3  4  2
  4  5  1
  5  6  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 10 12  1
 13  7  1
 12 13  2
  6  7  1
 14  3  1
  6 14  2
  2  3  1
 15  1  1
  2 15  1
M  END
> <Smiles>
C1C(c2[n]oc(-c3c[n]c(O)cc3)[n]2)C1

$$$$
Cc1o[n]c(C2N(c3[n]ccc[n]3)CCC2)c1
  MOLSOFT 07291514422D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.6185   -1.0903    0.0000 N   0  0  0
    5.0511    0.2412    0.0000 C   0  0  0
    4.1143    1.2816    0.0000 N   0  0  0
    4.5469    2.6131    0.0000 C   0  0  0
    5.9164    2.9042    0.0000 C   0  0  0
    6.8531    1.8638    0.0000 C   0  0  0
    6.4205    0.5323    0.0000 N   0  0  0
    5.4414   -2.2229    0.0000 C   0  0  0
    4.6185   -3.3555    0.0000 C   0  0  0
    3.2870   -2.9229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
  7  8  1
  7 14  1
 14 15  1
 16  6  1
 15 16  1
  6  5  1
 17  2  2
  5 17  1
M  END
> <Smiles>
Cc1o[n]c(C2N(c3[n]ccc[n]3)CCC2)c1

$$$$
N#Cc1cccc(N(C)C)c1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.8000    0.0000    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  9  1
  8 10  1
  7  8  1
 11  3  2
  7 11  1
M  END
> <Smiles>
N#Cc1cccc(N(C)C)c1

$$$$
CC(NCc1ccccc1-[n]1c[n]cc1)=O
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 N   0  0  0
   -1.6834   -3.9406    0.0000 C   0  0  0
   -1.3923   -2.5712    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 15 11  1
 14 15  2
  2  3  1
  2 16  2
M  END
> <Smiles>
CC(NCc1ccccc1-[n]1c[n]cc1)=O

$$$$
O=C(C(Nc1cccc(C)c1)(C)C)O
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -3.6373    0.0000 O   0  0  0
   -2.8000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -3.3124   -0.5124    0.0000 C   0  0  0
   -0.8876   -1.9124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  1  2  2
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 11  5  2
  9 11  1
  3  4  1
  3 12  1
  3 13  1
  2  3  1
  2 14  1
M  END
> <Smiles>
O=C(C(Nc1cccc(C)c1)(C)C)O

$$$$
C1C(CN2CC(O)C2)C1
  MOLSOFT 07291514422D

  9 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    1.2124    0.7000    0.0000 C   0  0  0
    1.9124    1.9124    0.0000 C   0  0  0
    1.2124    3.1249    0.0000 N   0  0  0
   -0.1399    3.4872    0.0000 C   0  0  0
    0.2225    4.8395    0.0000 C   0  0  0
   -0.4775    6.0519    0.0000 O   0  0  0
    1.5748    4.4772    0.0000 C   0  0  0
    1.2124   -0.7000    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  8  4  1
  6  8  1
  2  3  1
  9  1  1
  2  9  1
M  END
> <Smiles>
C1C(CN2CC(O)C2)C1

$$$$
NCC(c1c[n]ccc1)O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  3  4  1
  3 10  1
M  END
> <Smiles>
NCC(c1c[n]ccc1)O

$$$$
NC(C1CCOCC1)=O
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  8  3  1
  7  8  1
  2  3  1
  2  9  2
M  END
> <Smiles>
NC(C1CCOCC1)=O

$$$$
CCC(Nc1ccc(C)cc1C(O)=O)=O
  MOLSOFT 07291514422D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 O   0  0  0
   -1.4000    2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  8 10  1
 11  5  1
 10 11  2
 11 12  1
 12 13  1
 12 14  2
  3  4  1
  3 15  2
M  END
> <Smiles>
CCC(Nc1ccc(C)cc1C(O)=O)=O

$$$$
CC(N1CCCC(CO)C1)C
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  8  9  1
  7  8  1
 10  3  1
  7 10  1
  2  3  1
  2 11  1
M  END
> <Smiles>
CC(N1CCCC(CO)C1)C

$$$$
CC(NCCc1c2ccccc2[nH]c1)=O
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
 12 13  1
 14  6  2
 13 14  1
  2  3  1
  2 15  2
M  END
> <Smiles>
CC(NCCc1c2ccccc2[nH]c1)=O

$$$$
C1C(NC2CCOCC2)C1
  MOLSOFT 07291514422D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    1.2124    0.7000    0.0000 C   0  0  0
    1.9124    1.9124    0.0000 N   0  0  0
    1.2124    3.1249    0.0000 C   0  0  0
   -0.1876    3.1249    0.0000 C   0  0  0
   -0.8876    4.3373    0.0000 C   0  0  0
   -0.1876    5.5497    0.0000 O   0  0  0
    1.2124    5.5497    0.0000 C   0  0  0
    1.9124    4.3373    0.0000 C   0  0  0
    1.2124   -0.7000    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  9  4  1
  8  9  1
  2  3  1
 10  1  1
  2 10  1
M  END
> <Smiles>
C1C(NC2CCOCC2)C1

$$$$
O=C(C1COc2ccccc2O1)O
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  2
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 11  6  1
 10 11  2
 12  3  1
 11 12  1
  3  2  1
  2 13  1
M  END
> <Smiles>
O=C(C1COc2ccccc2O1)O

$$$$
O=C(CC1N(C(C)C)CCNC1=O)O
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  2
  4  3  1
  4  5  1
  6  7  1
  6  8  1
  5  6  1
  5  9  1
  9 10  1
 10 11  1
 12  4  1
 11 12  1
 12 13  2
  2  3  1
  2 14  1
M  END
> <Smiles>
O=C(CC1N(C(C)C)CCNC1=O)O

$$$$
O1[C@@H](C(N[C@@H](c2ccccc2)C)=O)CCC1
  MOLSOFT 07291514422D

 16 17  0  0  1  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  1
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  1
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -5.0874    3.6284    0.0000 C   0  0  0
   -5.5200    4.9599    0.0000 C   0  0  0
   -4.5832    6.0003    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  4  5  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
  5  6  1
  5 12  1  1
  3  4  1
  3 13  2
  2  3  1  1
  2 14  1
 14 15  1
 16  1  1
 15 16  1
M  END
> <Smiles>
O1[C@@H](C(N[C@@H](c2ccccc2)C)=O)CCC1

$$$$
N#CC1CN(Cc2ccccc2)CC1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.8000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 C   0  0  0
    1.7154    4.8770    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  3
  3  2  1
  3  4  1
  4  5  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
  5  6  1
  5 13  1
 14  3  1
 13 14  1
M  END
> <Smiles>
N#CC1CN(Cc2ccccc2)CC1

$$$$
CC(N1C(c2ccccc2)(C(O)=O)CCC1)=O
  MOLSOFT 07291514422D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
   -0.3895    1.8326    0.0000 C   0  0  0
   -1.6020    1.1326    0.0000 C   0  0  0
   -2.8144    1.8326    0.0000 C   0  0  0
   -2.8144    3.2326    0.0000 C   0  0  0
   -1.6020    3.9326    0.0000 C   0  0  0
   -0.3895    3.2326    0.0000 C   0  0  0
    1.3923    2.4116    0.0000 C   0  0  0
    2.7847    2.5579    0.0000 O   0  0  0
    0.5694    3.5442    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  4  5  1
 11 12  1
 11 13  2
  4 11  1
  4 14  1
 14 15  1
 16  3  1
 15 16  1
  2  3  1
  2 17  2
M  END
> <Smiles>
CC(N1C(c2ccccc2)(C(O)=O)CCC1)=O

$$$$
o1c(C(N(Cc2c[n]ccc2)C)=O)cc(C)[n]1
  MOLSOFT 07291514422D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -5.0874    3.6284    0.0000 N   0  0  0
   -5.5200    4.9599    0.0000 C   0  0  0
   -4.5832    6.0003    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -1.9159    1.7148    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
  4  5  1
  4 12  1
  3  4  1
  3 13  2
  2  3  1
  2 14  2
 14 15  1
 15 16  1
 17  1  1
 15 17  2
M  END
> <Smiles>
o1c(C(N(Cc2c[n]ccc2)C)=O)cc(C)[n]1

$$$$
O[C@H]1CN(Cc2o[n]c(-c3ccccc3)[n]2)CC1
  MOLSOFT 07291514422D

 18 20  0  0  1  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  1
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.9282    3.6152    0.0000 O   0  0  0
    2.2193    4.9846    0.0000 N   0  0  0
    3.6116    5.1310    0.0000 C   0  0  0
    4.3116    6.3434    0.0000 C   0  0  0
    3.6116    7.5558    0.0000 C   0  0  0
    4.3116    8.7683    0.0000 C   0  0  0
    5.7116    8.7683    0.0000 C   0  0  0
    6.4116    7.5558    0.0000 C   0  0  0
    5.7116    6.3434    0.0000 C   0  0  0
    4.1811    3.8520    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  2  1  1  1
  2  3  1
  3  4  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
  9 10  1
 16  6  2
  9 16  1
  4  5  1
  4 17  1
 18  2  1
 17 18  1
M  END
> <Smiles>
O[C@H]1CN(Cc2o[n]c(-c3ccccc3)[n]2)CC1

$$$$
OCc1c(C)[nH][n]c1C
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  4  6  1
  6  7  1
  8  3  1
  7  8  2
  8  9  1
M  END
> <Smiles>
OCc1c(C)[nH][n]c1C

$$$$
O=C(C1CN(S(C2CC2)(=O)=O)CCC1)O
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 S   0  0  0
    3.5000    3.6373    0.0000 C   0  0  0
    3.5000    5.0373    0.0000 C   0  0  0
    4.7124    4.3373    0.0000 C   0  0  0
    1.5876    3.1249    0.0000 O   0  0  0
    4.0124    1.7249    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  2
  3  4  1
  4  5  1
  7  8  1
  9  7  1
  8  9  1
  6  7  1
  6 10  2
  6 11  2
  5  6  1
  5 12  1
 12 13  1
 14  3  1
 13 14  1
  3  2  1
  2 15  1
M  END
> <Smiles>
O=C(C1CN(S(C2CC2)(=O)=O)CCC1)O

$$$$
N1C(=O)CN(Cc2ccccc2)CC1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 O   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
  5  6  1
  5 13  1
 14  1  1
 13 14  1
M  END
> <Smiles>
N1C(=O)CN(Cc2ccccc2)CC1

$$$$
C[n]1[n]cc(CNc2ccc(C)cc2)c1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    9.0965   -4.2451    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  1
 11 13  2
 14  8  2
 13 14  1
  5  6  1
 15  2  1
  5 15  2
M  END
> <Smiles>
C[n]1[n]cc(CNc2ccc(C)cc2)c1

$$$$
CN(C(C1CCOCC1)=O)C
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  1  2  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  9  4  1
  8  9  1
  3  4  1
  3 10  2
  2  3  1
  2 11  1
M  END
> <Smiles>
CN(C(C1CCOCC1)=O)C

$$$$
CCOC(N1CCN(c2ccccc2F)CC1)=O
  MOLSOFT 07291514422D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 F   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  1
  6  7  1
  7  8  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
  8  9  1
  8 16  1
 17  5  1
 16 17  1
  4  5  1
  4 18  2
M  END
> <Smiles>
CCOC(N1CCN(c2ccccc2F)CC1)=O

$$$$
C1N(C(Nc2ccc[n]c2OC)=O)CCC1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -2.2770    6.7496    0.0000 C   0  0  0
   -0.9076    6.4585    0.0000 N   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
    0.8944    4.8360    0.0000 O   0  0  0
    1.8312    5.8764    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  1
  3  4  1
  3 13  2
  2  3  1
  2 14  1
 14 15  1
 16  1  1
 15 16  1
M  END
> <Smiles>
C1N(C(Nc2ccc[n]c2OC)=O)CCC1

$$$$
o1c(C(N(C2CS(=O)(=O)CC2)C)=O)ccc1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7432    4.5193    0.0000 C   0  0  0
   -2.7432    5.9193    0.0000 S   0  0  0
   -3.0343    7.2887    0.0000 O   0  0  0
   -4.1356    5.7729    0.0000 O   0  0  0
   -1.4118    6.3519    0.0000 C   0  0  0
   -0.5889    5.2193    0.0000 C   0  0  0
   -1.9159    1.7148    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  5  6  1
  6  7  1
  7  8  2
  7  9  2
  7 10  1
 11  5  1
 10 11  1
  5  4  1
  4 12  1
  3  4  1
  3 13  2
  2  3  1
  2 14  2
 14 15  1
 16  1  1
 15 16  2
M  END
> <Smiles>
o1c(C(N(C2CS(=O)(=O)CC2)C)=O)ccc1

$$$$
[n]1c(NC(NCC2COCC2)=O)cccc1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 N   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -4.2000    4.8497    0.0000 C   0  0  0
   -5.5923    4.9961    0.0000 C   0  0  0
   -5.8834    6.3655    0.0000 O   0  0  0
   -4.6710    7.0655    0.0000 C   0  0  0
   -3.6306    6.1287    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  2
  3  4  1
  5  6  1
  7  6  1
  7  8  1
  8  9  1
  9 10  1
 11  7  1
 10 11  1
  4  5  1
  4 12  2
  2  3  1
  2 13  1
 13 14  2
 14 15  1
 16  1  1
 15 16  2
M  END
> <Smiles>
[n]1c(NC(NCC2COCC2)=O)cccc1

$$$$
c1c(C(c2c(C)[nH][n]c2C)NC(N)=O)cccc1
  MOLSOFT 07291514422D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    0.5394    2.6032    0.0000 C   0  0  0
    1.6635    3.4376    0.0000 C   0  0  0
    1.7713    4.8335    0.0000 C   0  0  0
    0.7053    5.7411    0.0000 C   0  0  0
    3.1321    5.1624    0.0000 N   0  0  0
    3.8654    3.9698    0.0000 N   0  0  0
    2.9578    2.9039    0.0000 C   0  0  0
    3.2867    1.5430    0.0000 C   0  0  0
   -0.7453    3.1595    0.0000 N   0  0  0
   -0.9059    4.5503    0.0000 C   0  0  0
    0.2182    5.3847    0.0000 N   0  0  0
   -2.1906    5.1066    0.0000 O   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  2
  4  5  2
  5  6  1
  5  7  1
  7  8  1
  9  4  1
  8  9  2
  9 10  1
  3  4  1
  3 11  1
 11 12  1
 12 13  1
 12 14  2
  3  2  1
  2 15  1
 15 16  2
 16 17  1
 18  1  1
 17 18  2
M  END
> <Smiles>
c1c(C(c2c(C)[nH][n]c2C)NC(N)=O)cccc1

$$$$
O=C(C1CN(C(NC(C)C)=O)CCC1)O
  MOLSOFT 07291514422D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  2
  3  4  1
  4  5  1
  7  8  1
  8  9  1
  8 10  1
  6  7  1
  6 11  2
  5  6  1
  5 12  1
 12 13  1
 14  3  1
 13 14  1
  3  2  1
  2 15  1
M  END
> <Smiles>
O=C(C1CN(C(NC(C)C)=O)CCC1)O

$$$$
c1c([C@H]2OCC[C@H](O)C2)cccc1
  MOLSOFT 07291514422D

 13 14  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  1
   -1.4000    2.4249    0.0000 O   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
    0.0000    4.8497    0.0000 C   0  0  2
    0.7000    6.0622    0.0000 O   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  2
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1  6
  9  3  1
  7  9  1
  3  2  1  1
  2 10  1
 10 11  2
 11 12  1
 13  1  1
 12 13  2
M  END
> <Smiles>
c1c([C@H]2OCC[C@H](O)C2)cccc1

$$$$
[n]1[n]([C@@H]2CCC[C@H]2O)ccc1
  MOLSOFT 07291514422D

 11 12  0  0  1  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  2
   -0.9412    2.8967    0.0000 C   0  0  0
   -0.9412    4.2967    0.0000 C   0  0  0
    0.3903    4.7294    0.0000 C   0  0  0
    1.2132    3.5967    0.0000 C   0  0  1
    2.6132    3.5967    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  7  3  1
  6  7  1
  7  8  1  1
  3  2  1  6
  2  9  1
  9 10  2
 11  1  2
 10 11  1
M  END
> <Smiles>
[n]1[n]([C@@H]2CCC[C@H]2O)ccc1

$$$$
NC(NC1CS(=O)(=O)CC1)=O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    3.5467    0.5537    0.0000 O   0  0  0
    2.4455    2.0694    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  1
  4  3  1
  4  5  1
  5  6  1
  6  7  2
  6  8  2
  6  9  1
 10  4  1
  9 10  1
  2  3  1
  2 11  2
M  END
> <Smiles>
NC(NC1CS(=O)(=O)CC1)=O

$$$$
NC(N1C(CO)CCC1)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  5  6  1
  4  5  1
  4  7  1
  7  8  1
  9  3  1
  8  9  1
  2  3  1
  2 10  2
M  END
> <Smiles>
NC(N1C(CO)CCC1)=O

$$$$
Cc1ccc([C@@H]2CCC[C@@H]2O)cc1
  MOLSOFT 07291514422D

 13 14  0  0  1  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  2
    5.0229    1.1326    0.0000 C   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 C   0  0  2
    4.5903   -2.4641    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  7  1
  7  8  1
  8  9  1
 10  6  1
  9 10  1
 10 11  1  6
  6  5  1  6
  5 12  2
 13  2  2
 12 13  1
M  END
> <Smiles>
Cc1ccc([C@@H]2CCC[C@@H]2O)cc1

$$$$
C[C@H]([C@H]1NC(=O)NC1=O)O
  MOLSOFT 07291514422D

 10 10  0  0  1  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  2
   -0.0000   -0.0000    0.0000 C   0  0  1
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  1  1  6
  3  4  1
  4  5  1
  5  6  2
  5  7  1
  8  3  1
  7  8  1
  8  9  2
  3  2  1  1
  2 10  1
M  END
> <Smiles>
C[C@H]([C@H]1NC(=O)NC1=O)O

$$$$
CC1(OCCN(CC2OCCCC2)C1)C
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.0725    0.8999    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 O   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    7.0000   -2.4249    0.0000 C   0  0  0
    6.3000   -3.6373    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.0725   -0.8999    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  8  7  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  8  1
 12 13  1
  6  7  1
 14  2  1
  6 14  1
  2  3  1
  2 15  1
M  END
> <Smiles>
CC1(OCCN(CC2OCCCC2)C1)C

$$$$
Nc1[n]c[n]cc1
  MOLSOFT 07291514422D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
M  END
> <Smiles>
Nc1[n]c[n]cc1

$$$$
Cc1[n]c(N)[n]c(C)c1
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  4  6  1
  6  7  2
  7  8  1
  9  2  2
  7  9  1
M  END
> <Smiles>
Cc1[n]c(N)[n]c(C)c1

$$$$
ONC(c1ccccc1)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  3  4  1
  3 10  2
M  END
> <Smiles>
ONC(c1ccccc1)=O

$$$$
O=C(c1[n]cccc1)O
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  2
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  2  3  1
  2  9  1
M  END
> <Smiles>
O=C(c1[n]cccc1)O

$$$$
O=C(c1[n](C)ccc1)O
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  2
  3  4  1
  4  5  1
  4  6  1
  6  7  2
  8  3  2
  7  8  1
  2  3  1
  2  9  1
M  END
> <Smiles>
O=C(c1[n](C)ccc1)O

$$$$
[n]1c(-c2[n]cccc2)cccc1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 N   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
    0.0000    4.8497    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  2
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  2  3  1
  2  9  1
  9 10  2
 10 11  1
 12  1  1
 11 12  2
M  END
> <Smiles>
[n]1c(-c2[n]cccc2)cccc1

$$$$
ONC(c1c[n]ccc1)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  3  4  1
  3 10  2
M  END
> <Smiles>
ONC(c1c[n]ccc1)=O

$$$$
CC(NO)=O
  MOLSOFT 07291514422D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.4000    0.0000    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    3.5000    1.2124    0.0000 N   0  0  0
    4.2000    2.4249    0.0000 O   0  0  0
    1.4000    2.4249    0.0000 O   0  0  0
  1  2  1
  3  4  1
  2  3  1
  2  5  2
M  END
> <Smiles>
CC(NO)=O

$$$$
O=C(c1[n](C)c2ccccc2c1)O
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  2
  3  4  1
  4  5  1
  4  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
 12  3  2
 11 12  1
  2  3  1
  2 13  1
M  END
> <Smiles>
O=C(c1[n](C)c2ccccc2c1)O

$$$$
CC(Nc1[n]c(O)[n]cc1)=O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  6  8  1
  8  9  2
 10  4  2
  9 10  1
  2  3  1
  2 11  2
M  END
> <Smiles>
CC(Nc1[n]c(O)[n]cc1)=O

$$$$
O=C(c1[n]c(C)ccc1)O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  2
  3  4  1
  4  5  2
  5  6  1
  5  7  1
  7  8  2
  9  3  2
  8  9  1
  2  3  1
  2 10  1
M  END
> <Smiles>
O=C(c1[n]c(C)ccc1)O

$$$$
[n]1c(N)cc(OC)[n]c1
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  2
  2  3  1
  2  4  1
  4  5  2
  6  7  1
  5  6  1
  5  8  1
  9  1  1
  8  9  2
M  END
> <Smiles>
[n]1c(N)cc(OC)[n]c1

$$$$
[n]1c(-c2[n+]([O-])cccc2)cccc1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 N   0  3  0
   -2.1000    1.2124    0.0000 O   0  5  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
    0.0000    4.8497    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  2
  3  4  1
  4  5  1
  4  6  2
  6  7  1
  7  8  2
  9  3  2
  8  9  1
  2  3  1
  2 10  1
 10 11  2
 11 12  1
 13  1  1
 12 13  2
M  CHG  2   4   1   5  -1
M  END
> <Smiles>
[n]1c(-c2[n+]([O-])cccc2)cccc1

$$$$
Nc1[n]ccc[n]1
  MOLSOFT 07291514422D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
M  END
> <Smiles>
Nc1[n]ccc[n]1

$$$$
Clc1c[n]c(N)[n]c1
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 Cl  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  1
  5  7  2
  8  2  2
  7  8  1
M  END
> <Smiles>
Clc1c[n]c(N)[n]c1

$$$$
NNc1[n]ccc[n]1
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
M  END
> <Smiles>
NNc1[n]ccc[n]1

$$$$
O=C(c1[n]c(N)ccc1)O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000    1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  2
  3  4  1
  4  5  2
  5  6  1
  5  7  1
  7  8  2
  9  3  2
  8  9  1
  2  3  1
  2 10  1
M  END
> <Smiles>
O=C(c1[n]c(N)ccc1)O

$$$$
[n]1c(CNCc2[n]cccc2)cccc1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 N   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 N   0  0  0
   -5.6000    2.4249    0.0000 C   0  0  0
   -6.3000    3.6373    0.0000 C   0  0  0
   -5.6000    4.8497    0.0000 C   0  0  0
   -4.2000    4.8497    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  2
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
  2  3  1
  2 12  1
 12 13  2
 13 14  1
 15  1  1
 14 15  2
M  END
> <Smiles>
[n]1c(CNCc2[n]cccc2)cccc1

$$$$
c1c2[n]c(-c3ccccc3O)oc2ccc1
  MOLSOFT 07291514422D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    0.2674    2.5439    0.0000 N   0  0  0
    1.4000    3.3668    0.0000 C   0  0  0
    1.4000    4.7668    0.0000 C   0  0  0
    0.1876    5.4668    0.0000 C   0  0  0
    0.1876    6.8668    0.0000 C   0  0  0
    1.4000    7.5668    0.0000 C   0  0  0
    2.6124    6.8668    0.0000 C   0  0  0
    2.6124    5.4668    0.0000 C   0  0  0
    3.8249    4.7668    0.0000 O   0  0  0
    2.5326    2.5439    0.0000 O   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
  4  5  1
  4 12  1
 13  2  2
 12 13  1
 13 14  1
 14 15  2
 16  1  2
 15 16  1
M  END
> <Smiles>
c1c2[n]c(-c3ccccc3O)oc2ccc1

$$$$
c1c2[n]c(-c3ccccc3O)[s]c2ccc1
  MOLSOFT 07291514422D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    0.2674    2.5439    0.0000 N   0  0  0
    1.4000    3.3668    0.0000 C   0  0  0
    1.4000    4.7668    0.0000 C   0  0  0
    0.1876    5.4668    0.0000 C   0  0  0
    0.1876    6.8668    0.0000 C   0  0  0
    1.4000    7.5668    0.0000 C   0  0  0
    2.6124    6.8668    0.0000 C   0  0  0
    2.6124    5.4668    0.0000 C   0  0  0
    3.8249    4.7668    0.0000 O   0  0  0
    2.5326    2.5439    0.0000 S   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
  4  5  1
  4 12  1
 13  2  2
 12 13  1
 13 14  1
 14 15  2
 16  1  2
 15 16  1
M  END
> <Smiles>
c1c2[n]c(-c3ccccc3O)[s]c2ccc1

$$$$
C[n]1c(N)c(-c2ccccc2)c(C(F)(F)F)[n]1
  MOLSOFT 07291514422D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.1099   -0.3903    0.0000 F   0  0  0
    2.4641   -2.6555    0.0000 F   0  0  0
    4.4196   -2.3458    0.0000 F   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  3  5  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
  5  6  1
  5 12  1
 13 14  1
 13 15  1
 13 16  1
 12 13  1
 17  2  1
 12 17  2
M  END
> <Smiles>
C[n]1c(N)c(-c2ccccc2)c(C(F)(F)F)[n]1

$$$$
CC(Nc1cc(C)o[n]1)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  6  8  1
  9  4  2
  8  9  1
  2  3  1
  2 10  2
M  END
> <Smiles>
CC(Nc1cc(C)o[n]1)=O

$$$$
N#Cc1[n]c(C2CC2)oc1N
  MOLSOFT 07291514422D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.8000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.8564    2.8019    0.0000 C   0  0  0
    4.6793    1.6692    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  6  7  1
  8  6  1
  7  8  1
  5  6  1
  5  9  1
 10  3  2
  9 10  1
 10 11  1
M  END
> <Smiles>
N#Cc1[n]c(C2CC2)oc1N

$$$$
CC(NCc1[n]oc(C)c1)C
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -0.0000    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
 10  5  1
  8 10  2
  2  3  1
  2 11  1
M  END
> <Smiles>
CC(NCc1[n]oc(C)c1)C

$$$$
N#Cc1[n]c(C(C)C)oc1N
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.8000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  6  7  1
  6  8  1
  5  6  1
  5  9  1
 10  3  2
  9 10  1
 10 11  1
M  END
> <Smiles>
N#Cc1[n]c(C(C)C)oc1N

$$$$
N#Cc1[n]c(CCC)oc1N
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.8000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  6  7  1
  7  8  1
  5  6  1
  5  9  1
 10  3  2
  9 10  1
 10 11  1
M  END
> <Smiles>
N#Cc1[n]c(CCC)oc1N

$$$$
Cc1o[n]c(NS(C)(=O)=O)c1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 S   0  0  0
    3.9965    0.3255    0.0000 C   0  0  0
    5.1354   -2.2324    0.0000 O   0  0  0
    5.8449   -0.3840    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  1
  7  8  1
  7  9  2
  7 10  2
  5  6  1
 11  2  2
  5 11  1
M  END
> <Smiles>
Cc1o[n]c(NS(C)(=O)=O)c1

$$$$
N#Cc1[n]c(CC(C)C)oc1N
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.8000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  6  7  1
  7  8  1
  7  9  1
  5  6  1
  5 10  1
 11  3  2
 10 11  1
 11 12  1
M  END
> <Smiles>
N#Cc1[n]c(CC(C)C)oc1N

$$$$
COc1ccc2NC(Cc2c1)=O
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 N   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
    5.5282   -2.3834    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  1
  7  8  1
 10  6  2
  9 10  1
 11  3  2
 10 11  1
  8  9  1
  8 12  2
M  END
> <Smiles>
COc1ccc2NC(Cc2c1)=O

$$$$
NC(CNCc1[n]oc(C)c1)=O
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -3.6373    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  1
  9 10  1
 11  6  1
  9 11  2
  2  3  1
  2 12  2
M  END
> <Smiles>
NC(CNCc1[n]oc(C)c1)=O

$$$$
CS(NCc1[n]oc(C)c1)(=O)=O
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 S   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 O   0  0  0
   -4.9000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
 10  5  1
  8 10  2
  2  3  1
  2 11  2
  2 12  2
M  END
> <Smiles>
CS(NCc1[n]oc(C)c1)(=O)=O

$$$$
C1C(C(Nc2cc(C)[n]o2)=O)C1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    1.2124    0.7000    0.0000 C   0  0  0
    1.9124    1.9124    0.0000 C   0  0  0
    1.2124    3.1249    0.0000 N   0  0  0
    1.9124    4.3373    0.0000 C   0  0  0
    1.3430    5.6163    0.0000 C   0  0  0
    2.3834    6.5531    0.0000 C   0  0  0
    2.2371    7.9454    0.0000 C   0  0  0
    3.5958    5.8531    0.0000 N   0  0  0
    3.3048    4.4836    0.0000 O   0  0  0
    3.3124    1.9124    0.0000 O   0  0  0
    1.2124   -0.7000    0.0000 C   0  0  0
  1  2  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  7  9  2
 10  5  1
  9 10  1
  3  4  1
  3 11  2
  2  3  1
 12  1  1
  2 12  1
M  END
> <Smiles>
C1C(C(Nc2cc(C)[n]o2)=O)C1

$$$$
c1c(-c2ccccc2)c(N)[nH][n]1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
    0.8944    4.8360    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  2  3  1
  2  9  2
  9 10  1
  9 11  1
 12  1  2
 11 12  1
M  END
> <Smiles>
c1c(-c2ccccc2)c(N)[nH][n]1

$$$$
[n]1c(CN2CCCCC2)cc(C)o1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.9159    1.7148    0.0000 C   0  0  0
   -3.2853    2.0059    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
  1  2  2
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  9  4  1
  8  9  1
  2  3  1
  2 10  1
 10 11  2
 11 12  1
 13  1  1
 11 13  1
M  END
> <Smiles>
[n]1c(CN2CCCCC2)cc(C)o1

$$$$
C1C(C(NCc2[n]oc(C)c2)=O)C1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    1.2124    0.7000    0.0000 C   0  0  0
    1.9124    1.9124    0.0000 C   0  0  0
    1.2124    3.1249    0.0000 N   0  0  0
    1.9124    4.3373    0.0000 C   0  0  0
    1.2124    5.5497    0.0000 C   0  0  0
   -0.1799    5.6961    0.0000 N   0  0  0
   -0.4710    7.0655    0.0000 O   0  0  0
    0.7415    7.7655    0.0000 C   0  0  0
    0.8878    9.1578    0.0000 C   0  0  0
    1.7819    6.8287    0.0000 C   0  0  0
    3.3124    1.9124    0.0000 O   0  0  0
    1.2124   -0.7000    0.0000 C   0  0  0
  1  2  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  1
  9 10  1
 11  6  1
  9 11  2
  3  4  1
  3 12  2
  2  3  1
 13  1  1
  2 13  1
M  END
> <Smiles>
C1C(C(NCc2[n]oc(C)c2)=O)C1

$$$$
c1c(-c2ccc(F)cc2)c(N)[nH][n]1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
   -0.9076    6.4585    0.0000 F   0  0  0
    0.8944    4.8360    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  6  8  1
  9  3  1
  8  9  2
  2  3  1
  2 10  2
 10 11  1
 10 12  1
 13  1  2
 12 13  1
M  END
> <Smiles>
c1c(-c2ccc(F)cc2)c(N)[nH][n]1

$$$$
N#Cc1[n]c(-c2ccccc2)oc1N
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.8000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    5.6986    1.7764    0.0000 C   0  0  0
    4.5660    0.9535    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
  5  6  1
  5 12  1
 13  3  2
 12 13  1
 13 14  1
M  END
> <Smiles>
N#Cc1[n]c(-c2ccccc2)oc1N

$$$$
o1c(C(Nc2cc(C)[n]o2)=O)ccc1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7432    4.5193    0.0000 C   0  0  0
   -2.7432    5.9193    0.0000 C   0  0  0
   -3.8759    6.7422    0.0000 C   0  0  0
   -1.4118    6.3519    0.0000 N   0  0  0
   -0.5889    5.2193    0.0000 O   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  7  9  2
 10  5  1
  9 10  1
  3  4  1
  3 11  2
  2  3  1
  2 12  2
 12 13  1
 14  1  1
 13 14  2
M  END
> <Smiles>
o1c(C(Nc2cc(C)[n]o2)=O)ccc1

$$$$
Cc1ccc(-c2ccc(N)cc2)cc1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  7  1
  7  8  2
  8  9  1
  9 10  1
  9 11  2
 12  6  2
 11 12  1
  5  6  1
  5 13  2
 14  2  2
 13 14  1
M  END
> <Smiles>
Cc1ccc(-c2ccc(N)cc2)cc1

$$$$
Cc1ccc(-c2[n]cc(N)cc2)cc1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  7  1
  7  8  2
  8  9  1
  9 10  1
  9 11  2
 12  6  2
 11 12  1
  5  6  1
  5 13  2
 14  2  2
 13 14  1
M  END
> <Smiles>
Cc1ccc(-c2[n]cc(N)cc2)cc1

$$$$
N#Cc1[n]c(Cc2ccccc2)oc1N
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.8000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 C   0  0  0
    1.7154    4.8770    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
  5  6  1
  5 13  1
 14  3  2
 13 14  1
 14 15  1
M  END
> <Smiles>
N#Cc1[n]c(Cc2ccccc2)oc1N

$$$$
CC(Nc1c(-c2[n]cccc2)c[n][nH]1)=O
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
    0.8944    4.8360    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
  5  6  1
  5 12  1
 12 13  2
 14  4  1
 13 14  1
  2  3  1
  2 15  2
M  END
> <Smiles>
CC(Nc1c(-c2[n]cccc2)c[n][nH]1)=O

$$$$
COc1c(OC)cc2[n]c[n]c(Cl)c2c1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 O   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 Cl  0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  1
  4  5  1
  4  7  2
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  8  2
 12 14  1
 15  3  2
 14 15  1
M  END
> <Smiles>
COc1c(OC)cc2[n]c[n]c(Cl)c2c1

$$$$
[n]1c(CNCc2c[n]ccc2)cc(C)o1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 C   0  0  0
   -3.7179    3.3373    0.0000 C   0  0  0
   -5.0874    3.6284    0.0000 N   0  0  0
   -5.5200    4.9599    0.0000 C   0  0  0
   -4.5832    6.0003    0.0000 C   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
  1  2  2
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
  2  3  1
  2 12  1
 12 13  2
 13 14  1
 15  1  1
 13 15  1
M  END
> <Smiles>
[n]1c(CNCc2c[n]ccc2)cc(C)o1

$$$$
Cc1o[n]c(NC(Cc2[s]ccc2)=O)c1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    7.2686    0.1625    0.0000 S   0  0  0
    8.6610    0.3088    0.0000 C   0  0  0
    9.2304   -0.9702    0.0000 C   0  0  0
    8.1900   -1.9069    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 13  9  2
 12 13  1
  7  8  1
  7 14  2
  5  6  1
 15  2  2
  5 15  1
M  END
> <Smiles>
Cc1o[n]c(NC(Cc2[s]ccc2)=O)c1

$$$$
N#Cc1[n]c(Cc2ccc(Cl)cc2)oc1N
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.8000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 C   0  0  0
    1.8617    3.4847    0.0000 C   0  0  0
    1.7154    4.8770    0.0000 C   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 Cl  0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  1
 10 12  2
 13  7  2
 12 13  1
  5  6  1
  5 14  1
 15  3  2
 14 15  1
 15 16  1
M  END
> <Smiles>
N#Cc1[n]c(Cc2ccc(Cl)cc2)oc1N

$$$$
N#Cc1[n]c(COc2ccccc2)oc1N
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -2.8000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 O   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    6.6849    3.9916    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
  5  6  1
  5 14  1
 15  3  2
 14 15  1
 15 16  1
M  END
> <Smiles>
N#Cc1[n]c(COc2ccccc2)oc1N

$$$$
N1C2=CC=C(C=C2C=C1C)OC
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    3.9441    3.9430    0.0000 O   0  0  0
    3.6530    5.3124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  7  2  1
  6  7  2
  7  8  1
  9  1  1
  8  9  2
  9 10  1
  5  6  1
  5 11  1
 11 12  1
M  END
> <Smiles>
N1C2=CC=C(C=C2C=C1C)OC

$$$$
C(O)(=O)C1C=CC=CC=1CC
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
  9 10  1
 10 11  1
M  END
> <Smiles>
C(O)(=O)C1C=CC=CC=1CC

$$$$
C(N)(COC1C=CC=CC=1)=O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  1  3  1
  1 11  2
M  END
> <Smiles>
C(N)(COC1C=CC=CC=1)=O

$$$$
S1C(C)=NN=C1N
  MOLSOFT 07291514422D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 S   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
M  END
> <Smiles>
S1C(C)=NN=C1N

$$$$
C1(=CSC=C1OC)C(O)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 O   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  1
  5  1  1
  4  5  2
  5  6  1
  6  7  1
  1  2  2
  1  8  1
  8  9  1
  8 10  2
M  END
> <Smiles>
C1(=CSC=C1OC)C(O)=O

$$$$
C(N)(=O)C1CCOC1
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  1  3  2
  4  1  1
  4  5  1
  5  6  1
  6  7  1
  8  4  1
  7  8  1
M  END
> <Smiles>
C(N)(=O)C1CCOC1

$$$$
C(O)(=O)CCNC1=CC=C(Cl)C=C1
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 10 12  1
 13  7  1
 12 13  2
M  END
> <Smiles>
C(O)(=O)CCNC1=CC=C(Cl)C=C1

$$$$
C(=O)(OC1=CC=CC=C1)C1=CC=CS1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.3229   -2.3451    0.0000 C   0  0  0
   -5.6544   -1.9124    0.0000 C   0  0  0
   -5.6544   -0.5124    0.0000 C   0  0  0
   -4.3229   -0.0798    0.0000 S   0  0  0
  1  2  2
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  7  8  1
  9  4  1
  8  9  2
  1  3  1
  1 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
M  END
> <Smiles>
C(=O)(OC1=CC=CC=C1)C1=CC=CS1

$$$$
C(O)(CC1CCCCC1)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  9  4  1
  8  9  1
  1  3  1
  1 10  2
M  END
> <Smiles>
C(O)(CC1CCCCC1)=O

$$$$
N1=CNC=C1C1C=CC=CC=1
  MOLSOFT 07291514422D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  2
  2  3  1
  3  4  1
  5  1  1
  4  5  2
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
M  END
> <Smiles>
N1=CNC=C1C1C=CC=CC=1

$$$$
C1(C=CC=C(N)C=1)C1=CC=CN=C1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  1  2
  5  7  1
  1  2  1
  1  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  8  1
 12 13  2
M  END
> <Smiles>
C1(C=CC=C(N)C=1)C1=CC=CN=C1

$$$$
C12OCCOC1=CSC=2CNC
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.3923    0.1463    0.0000 O   0  0  0
   -1.9618    1.4253    0.0000 C   0  0  0
   -1.1389    2.5579    0.0000 C   0  0  0
    0.2535    2.4116    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 N   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  6  7  2
  7  8  1
  9  1  2
  8  9  1
  9 10  1
 10 11  1
 11 12  1
M  END
> <Smiles>
C12OCCOC1=CSC=2CNC

$$$$
C1(=CC=CC2CCCOC1=2)C(O)=O
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
 10  1  1
 10  5  2
  9 10  1
  1  2  2
  1 11  1
 11 12  1
 11 13  2
M  END
> <Smiles>
C1(=CC=CC2CCCOC1=2)C(O)=O

$$$$
C1(C=CC=CC=1N1CCCCC1)C(N)=O
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 12  7  1
 11 12  1
  1  2  1
  1 13  1
 13 14  1
 13 15  2
M  END
> <Smiles>
C1(C=CC=CC=1N1CCCCC1)C(N)=O

$$$$
C(C1=CC=CC=C1)(=O)N1CCOCC1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  1  2  1
  1  8  2
  1  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  END
> <Smiles>
C(C1=CC=CC=C1)(=O)N1CCOCC1

$$$$
C(CC1=CC(F)=CC(F)=C1)(=O)NCC1=CC=CO1
  MOLSOFT 07291514422D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 F   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.4229   -3.5575    0.0000 C   0  0  0
   -7.7544   -3.1249    0.0000 C   0  0  0
   -7.7544   -1.7249    0.0000 C   0  0  0
   -6.4229   -1.2922    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  5  6  1
  5  7  2
  7  8  1
  8  9  1
 10  3  1
  8 10  2
  1  2  1
  1 11  2
  1 12  1
 12 13  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 14  1
 17 18  1
M  END
> <Smiles>
C(CC1=CC(F)=CC(F)=C1)(=O)NCC1=CC=CO1

$$$$
C1(=CNC=N1)C(O)=O
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  1
  5  1  1
  4  5  2
  1  2  2
  1  6  1
  6  7  1
  6  8  2
M  END
> <Smiles>
C1(=CNC=N1)C(O)=O

$$$$
N(C)C1C=CC=CC=1
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
M  END
> <Smiles>
N(C)C1C=CC=CC=1

$$$$
C1(C=NC=CC=1C)C(O)=O.Cl
  MOLSOFT 07291514422D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.3000    0.6062    0.0000 C   0  0  0
    7.0000    1.8187    0.0000 C   0  0  0
    8.4000    1.8187    0.0000 N   0  0  0
    9.1000    0.6062    0.0000 C   0  0  0
    8.4000   -0.6062    0.0000 C   0  0  0
    7.0000   -0.6062    0.0000 C   0  0  0
    6.3000   -1.8187    0.0000 C   0  0  0
    4.9000    0.6062    0.0000 C   0  0  0
    4.2000    1.8187    0.0000 O   0  0  0
    4.2000   -0.6062    0.0000 O   0  0  0
    1.8667    0.0000    0.0000 Cl  0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  1  2  1
  1  8  1
  8  9  1
  8 10  2
M  END
> <Smiles>
C1(C=NC=CC=1C)C(O)=O.Cl

$$$$
N1C(OC)=CC=CC=1Cl
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 O   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
  1  2  1
  3  4  1
  2  3  1
  2  5  2
  5  6  1
  6  7  2
  8  1  2
  7  8  1
  8  9  1
M  END
> <Smiles>
N1C(OC)=CC=CC=1Cl

$$$$
C1=C(N)NN=C1C1C=CC(Cl)=CC=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -0.9076   -6.4585    0.0000 Cl  0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  2
  2  3  1
  2  4  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  1
 10 12  2
 13  7  2
 12 13  1
M  END
> <Smiles>
C1=C(N)NN=C1C1C=CC(Cl)=CC=1

$$$$
N1(C(C2=CC=CC=C2)C2C=CC=CC=2)CC(C(O)=O)C1
  MOLSOFT 07291514422D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
    0.9899    0.9899    0.0000 C   0  0  0
    1.9799    0.0000    0.0000 C   0  0  0
    3.3799    0.0000    0.0000 C   0  0  0
    4.0799   -1.2124    0.0000 O   0  0  0
    4.0799    1.2124    0.0000 O   0  0  0
    0.9899   -0.9899    0.0000 C   0  0  0
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  2  3  1
  2  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
  1  2  1
  1 15  1
 15 16  1
 17 18  1
 17 19  2
 16 17  1
 20  1  1
 16 20  1
M  END
> <Smiles>
N1(C(C2=CC=CC=C2)C2C=CC=CC=2)CC(C(O)=O)C1

$$$$
N1(CCOCC1)C1C=CC(CO)=CC=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 O   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  2
  9 10  1
 11 12  1
 10 11  1
 10 13  2
 14  7  2
 13 14  1
M  END
> <Smiles>
N1(CCOCC1)C1C=CC(CO)=CC=1

$$$$
C1(=CC=C(F)C=C1C)C(O)=O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  4  6  1
  7  1  1
  6  7  2
  7  8  1
  1  2  2
  1  9  1
  9 10  1
  9 11  2
M  END
> <Smiles>
C1(=CC=C(F)C=C1C)C(O)=O

$$$$
NOCC1C=CC=CC=1
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9  4  2
  8  9  1
M  END
> <Smiles>
NOCC1C=CC=CC=1

$$$$
C1(C=CC=C(CNC)C=1)C1=CC=CN=C1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  7  1
  7  8  1
  5  6  1
  9  1  2
  5  9  1
  1  2  1
  1 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
M  END
> <Smiles>
C1(C=CC=C(CNC)C=1)C1=CC=CN=C1

$$$$
C1(C(O)=O)C=C(C)OC=1C1=CC=CC=C1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  2  3  1
  2  4  2
  1  2  1
  1  5  1
  5  6  2
  6  7  1
  6  8  1
  9  1  2
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
M  END
> <Smiles>
C1(C(O)=O)C=C(C)OC=1C1=CC=CC=C1

$$$$
N1=C(CN)ON=C1C1C=CC=CC=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  2
  3  4  1
  2  3  1
  2  5  1
  5  6  1
  7  1  1
  6  7  2
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
M  END
> <Smiles>
N1=C(CN)ON=C1C1C=CC=CC=1

$$$$
N1C(CNC)=CSC=1C1C=CC=C(Cl)C=1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -2.7812   -4.3777    0.0000 Cl  0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  2  3  1
  2  6  2
  6  7  1
  8  1  2
  7  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15  9  2
 13 15  1
M  END
> <Smiles>
N1C(CNC)=CSC=1C1C=CC=C(Cl)C=1

$$$$
C(O)(=O)C1C=CC=C(CN2CCCC2)C=1.Cl
  MOLSOFT 07291514422D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.9000    1.1725    0.0000 C   0  0  0
    4.2000    2.3850    0.0000 O   0  0  0
    4.2000   -0.0399    0.0000 O   0  0  0
    6.3000    1.1725    0.0000 C   0  0  0
    7.0000    2.3850    0.0000 C   0  0  0
    8.4000    2.3850    0.0000 C   0  0  0
    9.1000    1.1725    0.0000 C   0  0  0
    8.4000   -0.0399    0.0000 C   0  0  0
    9.1000   -1.2523    0.0000 C   0  0  0
   10.5000   -1.2523    0.0000 N   0  0  0
   11.3229   -0.1197    0.0000 C   0  0  0
   12.6544   -0.5523    0.0000 C   0  0  0
   12.6544   -1.9523    0.0000 C   0  0  0
   11.3229   -2.3850    0.0000 C   0  0  0
    7.0000   -0.0399    0.0000 C   0  0  0
    1.8667    0.0000    0.0000 Cl  0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14 10  1
 13 14  1
  8  9  1
 15  4  2
  8 15  1
M  END
> <Smiles>
C(O)(=O)C1C=CC=C(CN2CCCC2)C=1.Cl

$$$$
C1C(NC(C)=O)=CC=CC=1N(CC)CC
  MOLSOFT 07291514422D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 O   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  4  6  2
  2  3  1
  2  7  2
  7  8  1
  8  9  2
 10  1  2
  9 10  1
 10 11  1
 12 13  1
 11 12  1
 11 14  1
 14 15  1
M  END
> <Smiles>
C1C(NC(C)=O)=CC=CC=1N(CC)CC

$$$$
N1C=CN=CC=1N
  MOLSOFT 07291514422D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
M  END
> <Smiles>
N1C=CN=CC=1N

$$$$
C(C1C=CC=CC=1)(=O)N1CCC(CO)CC1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -4.8497    0.0000 C   0  0  0
   -3.5000   -6.0622    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  1  2  1
  1  8  2
  1  9  1
  9 10  1
 10 11  1
 11 12  1
 13 14  1
 12 13  1
 12 15  1
 16  9  1
 15 16  1
M  END
> <Smiles>
C(C1C=CC=CC=1)(=O)N1CCC(CO)CC1

$$$$
C1(=CC=C(F)C=C1Cl)C(OC)=O
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  4  6  1
  7  1  1
  6  7  2
  7  8  1
  1  2  2
  1  9  1
 10 11  1
  9 10  1
  9 12  2
M  END
> <Smiles>
C1(=CC=C(F)C=C1Cl)C(OC)=O

$$$$
C1(CN2CCOCC2)C2C=CC=CC=2SC=1
  MOLSOFT 07291514422D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  8  3  1
  7  8  1
  1  2  1
  1  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 14 15  1
 16  1  2
 15 16  1
M  END
> <Smiles>
C1(CN2CCOCC2)C2C=CC=CC=2SC=1

$$$$
C1(=CC=C(F)C=C1F)OC(C)=O
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 F   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  4  6  1
  7  1  1
  6  7  2
  7  8  1
  1  2  2
  1  9  1
  9 10  1
 10 11  1
 10 12  2
M  END
> <Smiles>
C1(=CC=C(F)C=C1F)OC(C)=O

$$$$
C1(Cl)=C(C)C=CC(NN)=C1.Cl
  MOLSOFT 07291514422D

 11 10  0  0  0  0  0  0  0  0999 V2000
    5.6000    0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 Cl  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    5.6000    2.4249    0.0000 C   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    8.4000   -0.0000    0.0000 C   0  0  0
    7.7000   -1.2124    0.0000 C   0  0  0
    8.4000   -2.4249    0.0000 N   0  0  0
    9.8000   -2.4249    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    1.8667    0.0000    0.0000 Cl  0  0  0
  1  2  1
  1  3  2
  3  4  1
  3  5  1
  5  6  2
  6  7  1
  8  9  1
  7  8  1
 10  1  1
  7 10  2
M  END
> <Smiles>
C1(Cl)=C(C)C=CC(NN)=C1.Cl

$$$$
C(N)(=O)C1C=CC(Cl)=C(Cl)C=1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  7  9  2
  9 10  1
 11  4  2
  9 11  1
M  END
> <Smiles>
C(N)(=O)C1C=CC(Cl)=C(Cl)C=1

$$$$
C(=O)(N(C)C)NC1=CC=CC(Cl)=C1Cl
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -4.2000   -0.0000    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
  1  2  2
  3  4  1
  3  5  1
  1  3  1
  1  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 11 12  1
 13  7  1
 11 13  2
 13 14  1
M  END
> <Smiles>
C(=O)(N(C)C)NC1=CC=CC(Cl)=C1Cl

$$$$
C(C)(=O)NC1=CC=CN=C1
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
M  END
> <Smiles>
C(C)(=O)NC1=CC=CN=C1

$$$$
C(F)(F)(F)SC1=CC=C(C(N)=O)C=C1
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.3124   -0.5124    0.0000 F   0  0  0
   -0.8876   -1.9124    0.0000 F   0  0  0
   -2.8000   -2.4249    0.0000 F   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10 11  1
 10 12  2
  9 10  1
  9 13  1
 14  6  1
 13 14  2
M  END
> <Smiles>
C(F)(F)(F)SC1=CC=C(C(N)=O)C=C1

$$$$
N1C=CC=CC=1C1=CC=CC=C1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  2
M  END
> <Smiles>
N1C=CC=CC=1C1=CC=CC=C1

$$$$
C12C=C(CNC)C=CC=1OCO2
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.3923    0.1463    0.0000 C   0  0  0
   -1.9618    1.4253    0.0000 C   0  0  0
   -3.3541    1.5716    0.0000 C   0  0  0
   -4.1770    0.4390    0.0000 N   0  0  0
   -5.5693    0.5854    0.0000 C   0  0  0
   -1.1389    2.5579    0.0000 C   0  0  0
    0.2535    2.4116    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  1
  5  6  1
  3  4  1
  3  7  1
  7  8  2
  9  1  2
  8  9  1
  9 10  1
 10 11  1
 12  1  1
 11 12  1
M  END
> <Smiles>
C12C=C(CNC)C=CC=1OCO2

$$$$
C12CCCOC=1C=CC(CNC)=C2
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
    0.0000    2.4249    0.0000 O   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  6  1  2
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 10 11  1
 11 12  1
  9 10  1
 13  1  1
  9 13  2
M  END
> <Smiles>
C12CCCOC=1C=CC(CNC)=C2

$$$$
N1(CC(C)OC(C)C1)CC1=CC(C)=C(O)C(C)=C1.Cl
  MOLSOFT 07291514422D

 19 19  0  0  0  0  0  0  0  0999 V2000
    9.8000    1.2124    0.0000 N   0  0  0
   10.5000    2.4249    0.0000 C   0  0  0
   11.9000    2.4249    0.0000 C   0  0  0
   12.6000    3.6373    0.0000 C   0  0  0
   12.6000    1.2124    0.0000 O   0  0  0
   11.9000    0.0000    0.0000 C   0  0  0
   12.6000   -1.2124    0.0000 C   0  0  0
   10.5000    0.0000    0.0000 C   0  0  0
    8.4000    1.2124    0.0000 C   0  0  0
    7.7000    0.0000    0.0000 C   0  0  0
    8.4000   -1.2124    0.0000 C   0  0  0
    7.7000   -2.4249    0.0000 C   0  0  0
    8.4000   -3.6373    0.0000 C   0  0  0
    6.3000   -2.4249    0.0000 C   0  0  0
    5.6000   -3.6373    0.0000 O   0  0  0
    5.6000   -1.2124    0.0000 C   0  0  0
    4.2000   -1.2124    0.0000 C   0  0  0
    6.3000   -0.0000    0.0000 C   0  0  0
    1.8667    0.0000    0.0000 Cl  0  0  0
  2  3  1
  3  4  1
  3  5  1
  5  6  1
  6  7  1
  8  1  1
  6  8  1
  1  2  1
  1  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  1
 12 14  2
 14 15  1
 14 16  1
 16 17  1
 18 10  1
 16 18  2
M  END
> <Smiles>
N1(CC(C)OC(C)C1)CC1=CC(C)=C(O)C(C)=C1.Cl

$$$$
C(C1C=CC=CC=1)(=O)N1CCC(=O)CC1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -4.8497    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  1  2  1
  1  8  2
  1  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 12 14  1
 15  9  1
 14 15  1
M  END
> <Smiles>
C(C1C=CC=CC=1)(=O)N1CCC(=O)CC1

$$$$
C(O)(=O)C1C=CC(C)=C(N)C=1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  7  9  2
  9 10  1
 11  4  2
  9 11  1
M  END
> <Smiles>
C(O)(=O)C1C=CC(C)=C(N)C=1

$$$$
N#CC1C=CC(OC)=CC=1
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.8000    0.0000    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  7  8  1
  6  7  1
  6  9  2
 10  3  2
  9 10  1
M  END
> <Smiles>
N#CC1C=CC(OC)=CC=1

$$$$
C1(=C(OC)C=CC(Cl)=C1)NC(C)=O
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 O   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  3  4  1
  2  3  1
  2  5  1
  5  6  2
  6  7  1
  7  8  1
  9  1  1
  7  9  2
  1  2  2
  1 10  1
 10 11  1
 11 12  1
 11 13  2
M  END
> <Smiles>
C1(=C(OC)C=CC(Cl)=C1)NC(C)=O

$$$$
C1(=CC=CO1)[C@@H](C)OC(C)=O
  MOLSOFT 07291514422D

 11 11  0  0  1  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  1
   -2.1000    1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  1  6
  6  8  1
  8  9  1
  9 10  1
  9 11  2
M  END
> <Smiles>
C1(=CC=CO1)[C@@H](C)OC(C)=O

$$$$
N1N(C)C(N)=CC=1C1=CC=CS1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.2132   -3.5967    0.0000 C   0  0  0
    0.3903   -4.7294    0.0000 C   0  0  0
   -0.9412   -4.2967    0.0000 C   0  0  0
   -0.9412   -2.8967    0.0000 S   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  1
  4  6  2
  7  1  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  8  1
 11 12  1
M  END
> <Smiles>
N1N(C)C(N)=CC=1C1=CC=CS1

$$$$
C(=O)(N1CCSCC1)C1=C(F)C=CC=C1F
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 S   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 F   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 F   0  0  0
  1  2  2
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  8  3  1
  7  8  1
  1  3  1
  1  9  1
  9 10  2
 10 11  1
 10 12  1
 12 13  2
 13 14  1
 15  9  1
 14 15  2
 15 16  1
M  END
> <Smiles>
C(=O)(N1CCSCC1)C1=C(F)C=CC=C1F

$$$$
C1(O)C(C)=CC(CN(C)C)=CC=1C.Cl
  MOLSOFT 07291514422D

 14 13  0  0  0  0  0  0  0  0999 V2000
    5.6000    0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    5.6000    2.4249    0.0000 C   0  0  0
    7.7000    1.2124    0.0000 C   0  0  0
    8.4000   -0.0000    0.0000 C   0  0  0
    9.8000   -0.0000    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 N   0  0  0
    9.8000    2.4249    0.0000 C   0  0  0
   11.9000    1.2124    0.0000 C   0  0  0
    7.7000   -1.2124    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    5.6000   -2.4249    0.0000 C   0  0  0
    1.8667    0.0000    0.0000 Cl  0  0  0
  1  2  1
  1  3  1
  3  4  1
  3  5  2
  5  6  1
  7  8  1
  8  9  1
  8 10  1
  6  7  1
  6 11  2
 12  1  2
 11 12  1
 12 13  1
M  END
> <Smiles>
C1(O)C(C)=CC(CN(C)C)=CC=1C.Cl

$$$$
C1(=CC=CO1)C1C=CC(CNC)=NC=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 N   0  0  0
   -7.7000   -1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  1
  7  8  2
  8  9  1
 10 11  1
 11 12  1
  9 10  1
  9 13  2
 14  6  2
 13 14  1
M  END
> <Smiles>
C1(=CC=CO1)C1C=CC(CNC)=NC=1

$$$$
C(F)(F)(F)C1C=CC(NN)=CC=1
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000   -1.4000    0.0000 F   0  0  0
   -1.4000    1.4000    0.0000 F   0  0  0
   -2.8000    0.0000    0.0000 F   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  9 10  1
  8  9  1
  8 11  2
 12  5  2
 11 12  1
M  END
> <Smiles>
C(F)(F)(F)C1C=CC(NN)=CC=1

$$$$
C(C1=CC=CC=C1)(=O)C1=CC=CC(N)=C1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  1  2  1
  1  8  2
  1  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 13 14  1
 15  9  1
 13 15  2
M  END
> <Smiles>
C(C1=CC=CC=C1)(=O)C1=CC=CC(N)=C1

$$$$
N1=C(N)SC=C1C1=CC=C(F)C(F)=C1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -0.9076   -6.4585    0.0000 F   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -2.7812   -4.3777    0.0000 F   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  2
  2  3  1
  2  4  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 10 12  1
 12 13  1
 14  7  1
 12 14  2
M  END
> <Smiles>
N1=C(N)SC=C1C1=CC=C(F)C(F)=C1

$$$$
N1C=CC=CC=1CCN(CC)CC
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 N   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
 10 11  1
  9 10  1
  9 12  1
 12 13  1
M  END
> <Smiles>
N1C=CC=CC=1CCN(CC)CC

$$$$
C1(=CC=C(OC)C=C1)N
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
  2  3  1
  3  4  2
  5  6  1
  4  5  1
  4  7  1
  8  1  1
  7  8  2
  1  2  2
  1  9  1
M  END
> <Smiles>
C1(=CC=C(OC)C=C1)N

$$$$
C1(C=CC=CC=1OC)F
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 F   0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  1  2  1
  1  9  1
M  END
> <Smiles>
C1(C=CC=CC=1OC)F

$$$$
N1(CCCC1)CC1C=CC(CO)=CC=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -4.8497    0.0000 C   0  0  0
   -3.5000   -6.0622    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  5  1  1
  4  5  1
  1  2  1
  1  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 11 12  1
 10 11  1
 10 13  2
 14  7  2
 13 14  1
M  END
> <Smiles>
N1(CCCC1)CC1C=CC(CO)=CC=1

$$$$
C1(=CC=CO1)C1C=CC(N)=CC=1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 N   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  1
  9 11  2
 12  6  2
 11 12  1
M  END
> <Smiles>
C1(=CC=CO1)C1C=CC(N)=CC=1

$$$$
N1(CCOCC1)CC1C=CC=C(CNC)C=1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 N   0  0  0
   -7.7000   -3.6373    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13 14  1
 14 15  1
 12 13  1
 16  8  2
 12 16  1
M  END
> <Smiles>
N1(CCOCC1)CC1C=CC=C(CNC)C=1

$$$$
N1=C(C2C=CC=NC=2)C=CN=C1SC
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
    0.0000    4.8497    0.0000 N   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 S   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
  1  2  2
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  2  3  1
  2  9  1
  9 10  2
 10 11  1
 12  1  1
 11 12  2
 12 13  1
 13 14  1
M  END
> <Smiles>
N1=C(C2C=CC=NC=2)C=CN=C1SC

$$$$
N(C(=O)C1=CC=CS1)C1SCCN=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.3229   -2.3451    0.0000 S   0  0  0
   -5.6544   -1.9124    0.0000 C   0  0  0
   -5.6544   -0.5124    0.0000 C   0  0  0
   -4.3229   -0.0798    0.0000 N   0  0  0
  2  3  2
  2  4  1
  4  5  2
  5  6  1
  6  7  2
  8  4  1
  7  8  1
  1  2  1
  1  9  1
  9 10  1
 10 11  1
 11 12  1
 13  9  2
 12 13  1
M  END
> <Smiles>
N(C(=O)C1=CC=CS1)C1SCCN=1

$$$$
N1(CCC(C2=CC=CC=C2OC)CC1)C(C1CCC1)=O
  MOLSOFT 07291514422D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 O   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.7377   -2.5647    0.0000 C   0  0  0
   -3.0899   -2.9271    0.0000 C   0  0  0
   -3.4523   -1.5748    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  1
  4  5  1
  4 13  1
 14  1  1
 13 14  1
  1  2  1
  1 15  1
 16 17  1
 17 18  1
 19 16  1
 18 19  1
 15 16  1
 15 20  2
M  END
> <Smiles>
N1(CCC(C2=CC=CC=C2OC)CC1)C(C1CCC1)=O

$$$$
C1(=C(F)C=CC=C1N)C#N
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 F   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
  2  3  1
  2  4  1
  4  5  2
  5  6  1
  7  1  1
  6  7  2
  7  8  1
  1  2  2
  1  9  1
  9 10  3
M  END
> <Smiles>
C1(=C(F)C=CC=C1N)C#N

$$$$
N1C(CO)=CSC=1C1C=CC=CC=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  1
  3  4  1
  2  3  1
  2  5  2
  5  6  1
  7  1  2
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
M  END
> <Smiles>
N1C(CO)=CSC=1C1C=CC=CC=1

$$$$
N1C(C)=C(CNC)SC=1C1=CC=CC=C1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 N   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  2
  5  6  1
  6  7  1
  4  5  1
  4  8  1
  9  1  2
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
M  END
> <Smiles>
N1C(C)=C(CNC)SC=1C1=CC=CC=C1

$$$$
N1(CCN(C)CC1)CC1=CC=C(CNC)C=C1
  MOLSOFT 07291514422D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -4.8497    0.0000 C   0  0  0
   -3.5000   -6.0622    0.0000 N   0  0  0
   -4.2000   -7.2746    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  4  6  1
  7  1  1
  6  7  1
  1  2  1
  1  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13 14  1
 14 15  1
 12 13  1
 12 16  1
 17  9  1
 16 17  2
M  END
> <Smiles>
N1(CCN(C)CC1)CC1=CC=C(CNC)C=C1

$$$$
N1(CCCC1)C(CCC1CCCC1)=O
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.6306   -3.7038    0.0000 C   0  0  0
   -4.6710   -4.6406    0.0000 C   0  0  0
   -5.8834   -3.9406    0.0000 C   0  0  0
   -5.5923   -2.5712    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  1
  5  1  1
  4  5  1
  1  2  1
  1  6  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  9  1
 12 13  1
  6  7  1
  6 14  2
M  END
> <Smiles>
N1(CCCC1)C(CCC1CCCC1)=O

$$$$
C1(C=COC=1C)C(OC)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  2  3  2
  3  4  1
  5  1  2
  4  5  1
  5  6  1
  1  2  1
  1  7  1
  8  9  1
  7  8  1
  7 10  2
M  END
> <Smiles>
C1(C=COC=1C)C(OC)=O

$$$$
C12CCCC=1C=CC(NC(C)=O)=C2
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.2535   -2.4116    0.0000 C   0  0  0
   -1.1389   -2.5579    0.0000 C   0  0  0
   -1.9618   -1.4253    0.0000 C   0  0  0
   -3.3541   -1.5716    0.0000 N   0  0  0
   -3.9235   -2.8506    0.0000 C   0  0  0
   -3.1006   -3.9832    0.0000 C   0  0  0
   -5.3159   -2.9969    0.0000 O   0  0  0
   -1.3923   -0.1463    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  1  2
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  9 10  1
 10 11  1
 10 12  2
  8  9  1
 13  1  1
  8 13  2
M  END
> <Smiles>
C12CCCC=1C=CC(NC(C)=O)=C2

$$$$
C1(C2C=CC=CN=2)=CC=C(CO)S1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  1  2  1
  1  8  2
  8  9  1
  9 10  2
 11 12  1
 10 11  1
 13  1  1
 10 13  1
M  END
> <Smiles>
C1(C2C=CC=CN=2)=CC=C(CO)S1

$$$$
S1C(C2C=CC=CC=2)=CC=C1C(O)=O
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 S   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
    0.8944    4.8360    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 O   0  0  0
    1.3271   -3.5045    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  2  3  1
  2  9  2
  9 10  1
 11  1  1
 10 11  2
 11 12  1
 12 13  1
 12 14  2
M  END
> <Smiles>
S1C(C2C=CC=CC=2)=CC=C1C(O)=O

$$$$
C1(=CC=CS1)C1=CC=CC=C1CNC
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 N   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 11  6  1
 10 11  2
 11 12  1
 12 13  1
 13 14  1
M  END
> <Smiles>
C1(=CC=CS1)C1=CC=CC=C1CNC

$$$$
C(C(C)(C)O)#CC1C=CC(C(OC)=O)=CC=1
  MOLSOFT 07291514422D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.8000    0.0000    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -4.2000   -1.4000    0.0000 C   0  0  0
   -4.2000    1.4000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  2  4  1
  2  5  1
  1  2  1
  1  6  3
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 12 13  1
 11 12  1
 11 14  2
 10 11  1
 10 15  2
 16  7  2
 15 16  1
M  END
> <Smiles>
C(C(C)(C)O)#CC1C=CC(C(OC)=O)=CC=1

$$$$
C(F)(F)(F)OC1C=CC=CC=1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.3124   -0.5124    0.0000 F   0  0  0
   -0.8876   -1.9124    0.0000 F   0  0  0
   -2.8000   -2.4249    0.0000 F   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
M  END
> <Smiles>
C(F)(F)(F)OC1C=CC=CC=1

$$$$
C(O)(C1CCC1)=O
  MOLSOFT 07291514422D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0
    0.9899    0.9899    0.0000 C   0  0  0
    1.9799    0.0000    0.0000 C   0  0  0
    0.9899   -0.9899    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  6  3  1
  5  6  1
  1  3  1
  1  7  2
M  END
> <Smiles>
C(O)(C1CCC1)=O

$$$$
N1(CCCN(C)CC1)C1=CC=C(CO)C=C1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.6074    1.2614    0.0000 C   0  0  0
    1.9723    1.5729    0.0000 C   0  0  0
    3.0669    0.7000    0.0000 C   0  0  0
    3.0669   -0.7000    0.0000 N   0  0  0
    4.3283   -1.3074    0.0000 C   0  0  0
    1.9723   -1.5729    0.0000 C   0  0  0
    0.6074   -1.2614    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 O   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  5  7  1
  8  1  1
  7  8  1
  1  2  1
  1  9  1
  9 10  2
 10 11  1
 11 12  2
 13 14  1
 12 13  1
 12 15  1
 16  9  1
 15 16  2
M  END
> <Smiles>
N1(CCCN(C)CC1)C1=CC=C(CO)C=C1

$$$$
C1(C(OC)=O)SC=C(C)C=1Cl
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 S   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 Cl  0  0  0
  3  4  1
  2  3  1
  2  5  2
  1  2  1
  1  6  1
  6  7  1
  7  8  2
  8  9  1
 10  1  2
  8 10  1
 10 11  1
M  END
> <Smiles>
C1(C(OC)=O)SC=C(C)C=1Cl

$$$$
C(O)(=O)C1=CC=CC(C2=CC=NC=C2)=C1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    4.2000   -4.8497    0.0000 N   0  0  0
    2.8000   -4.8497    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  2
  5  6  1
  6  7  2
  7  8  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
  8  9  1
 15  4  1
  8 15  2
M  END
> <Smiles>
C(O)(=O)C1=CC=CC(C2=CC=NC=C2)=C1

$$$$
S1C2C=CC=CC=2C=C1CNC.Cl
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.2000    0.6986    0.0000 S   0  0  0
    5.0229    1.8312    0.0000 C   0  0  0
    4.7318    3.2006    0.0000 C   0  0  0
    5.7722    4.1374    0.0000 C   0  0  0
    7.1037    3.7048    0.0000 C   0  0  0
    7.3948    2.3354    0.0000 C   0  0  0
    6.3544    1.3986    0.0000 C   0  0  0
    6.3544   -0.0014    0.0000 C   0  0  0
    5.0229   -0.4340    0.0000 C   0  0  0
    4.5903   -1.7655    0.0000 C   0  0  0
    5.5271   -2.8059    0.0000 N   0  0  0
    5.0944   -4.1374    0.0000 C   0  0  0
    1.8667    0.0000    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  7  8  1
  9  1  1
  8  9  2
  9 10  1
 10 11  1
 11 12  1
M  END
> <Smiles>
S1C2C=CC=CC=2C=C1CNC.Cl

$$$$
C1(=CC=CS1)C1C=CC(CNC)=CC=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 N   0  0  0
   -7.7000   -1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  1
  7  8  2
  8  9  1
 10 11  1
 11 12  1
  9 10  1
  9 13  2
 14  6  2
 13 14  1
M  END
> <Smiles>
C1(=CC=CS1)C1C=CC(CNC)=CC=1

$$$$
C1(CC(O)=O)C2C=CC=CC=2OC=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  2  3  1
  3  4  1
  3  5  2
  1  2  1
  1  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
 11 12  1
 13  1  2
 12 13  1
M  END
> <Smiles>
C1(CC(O)=O)C2C=CC=CC=2OC=1

$$$$
C(OCC)(=O)NC1C=CC(F)=CC=1F
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 F   0  0  0
  2  3  1
  3  4  1
  1  2  1
  1  5  2
  1  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  1
 10 12  2
 13  7  2
 12 13  1
 13 14  1
M  END
> <Smiles>
C(OCC)(=O)NC1C=CC(F)=CC=1F

$$$$
N1N(C)C=CC=1C1=CC=C(N)C=C1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -0.9076   -6.4585    0.0000 N   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 10 12  1
 13  7  1
 12 13  2
M  END
> <Smiles>
N1N(C)C=CC=1C1=CC=C(N)C=C1

$$$$
N1(CCOCC1)C1C=CC=C(CNC)C=1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -5.6000    2.4249    0.0000 N   0  0  0
   -6.3000    3.6373    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12 13  1
 13 14  1
 11 12  1
 15  7  2
 11 15  1
M  END
> <Smiles>
N1(CCOCC1)C1C=CC=C(CNC)C=1

$$$$
N1(CCCCC1)C(=O)CSC1=CC=CC=C1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 S   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -4.8497    0.0000 C   0  0  0
   -5.6000   -4.8497    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  2
  7  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
M  END
> <Smiles>
N1(CCCCC1)C(=O)CSC1=CC=CC=C1

$$$$
C1(C(O)=O)C2C=CC=CC=2OC2C=CC=CC1=2
  MOLSOFT 07291514422D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    0.0000    2.4249    0.0000 C   0  0  0
    0.7000    3.6373    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  2  4  2
  1  2  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17  1  1
 17 12  2
 16 17  1
M  END
> <Smiles>
C1(C(O)=O)C2C=CC=CC=2OC2C=CC=CC1=2

$$$$
C1(OC)C(N)=CC=CN=1
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
  2  3  1
  1  2  1
  1  4  1
  4  5  1
  4  6  2
  6  7  1
  7  8  2
  9  1  2
  8  9  1
M  END
> <Smiles>
C1(OC)C(N)=CC=CN=1

$$$$
C1(N)=CC=NN1C
  MOLSOFT 07291514422D

  7  7  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
  1  2  1
  1  3  2
  3  4  1
  4  5  2
  6  1  1
  5  6  1
  6  7  1
M  END
> <Smiles>
C1(N)=CC=NN1C

$$$$
N1(C=CC=N1)C1=CC=C(N)C=C1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 N   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  2
  3  4  1
  5  1  1
  4  5  2
  1  2  1
  1  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
  9 11  1
 12  6  1
 11 12  2
M  END
> <Smiles>
N1(C=CC=N1)C1=CC=C(N)C=C1

$$$$
C1(C(O)=O)=CSC(C)=N1
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  2  3  1
  2  4  2
  1  2  1
  1  5  2
  5  6  1
  6  7  1
  7  8  1
  9  1  1
  7  9  2
M  END
> <Smiles>
C1(C(O)=O)=CSC(C)=N1

$$$$
N1=C(C2=CC=CC=C2)C=C(CNC)N1C
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
    0.8944    4.8360    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
  1  2  2
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  2  3  1
  2  9  1
  9 10  2
 11 12  1
 12 13  1
 10 11  1
 14  1  1
 10 14  1
 14 15  1
M  END
> <Smiles>
N1=C(C2=CC=CC=C2)C=C(CNC)N1C

$$$$
C12OCCCOC=1C=CC(N)=C2
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.3844   -0.2087    0.0000 O   0  0  0
   -2.4106    0.7436    0.0000 C   0  0  0
   -2.3060    2.1397    0.0000 C   0  0  0
   -1.1493    2.9283    0.0000 C   0  0  0
    0.1885    2.5157    0.0000 O   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  7  1  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  1
 12  1  1
 10 12  2
M  END
> <Smiles>
C12OCCCOC=1C=CC(N)=C2

$$$$
C1(C(O)=O)=CSC(C2=CC=CS2)=N1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.6185   -1.0903    0.0000 C   0  0  0
    5.4414   -2.2229    0.0000 C   0  0  0
    4.6185   -3.3555    0.0000 C   0  0  0
    3.2870   -2.9229    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  2  3  1
  2  4  2
  1  2  1
  1  5  2
  5  6  1
  6  7  1
  8  9  2
  9 10  1
 10 11  2
 12  8  1
 11 12  1
  7  8  1
 13  1  1
  7 13  2
M  END
> <Smiles>
C1(C(O)=O)=CSC(C2=CC=CS2)=N1

$$$$
N1=C(C)N=CC=C1C1=CC=CC(N)=C1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
  1  2  2
  2  3  1
  2  4  1
  4  5  2
  5  6  1
  7  1  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  1
 14  8  1
 12 14  2
M  END
> <Smiles>
N1=C(C)N=CC=C1C1=CC=CC(N)=C1

$$$$
C1(CN(C)C)C2C=CC=CC=2NC=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  2  3  1
  3  4  1
  3  5  1
  1  2  1
  1  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
 11 12  1
 13  1  2
 12 13  1
M  END
> <Smiles>
C1(CN(C)C)C2C=CC=CC=2NC=1

$$$$
N1(CCN(C2=CC=CC=C2)CC1)C(C)=O
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
  4  5  1
  4 11  1
 12  1  1
 11 12  1
  1  2  1
  1 13  1
 13 14  1
 13 15  2
M  END
> <Smiles>
N1(CCN(C2=CC=CC=C2)CC1)C(C)=O

$$$$
C(CC1C=CC=CC=1)(=O)NCC(C)=O
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 O   0  0  0
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  1  2  1
  1  9  2
  1 10  1
 10 11  1
 11 12  1
 12 13  1
 12 14  2
M  END
> <Smiles>
C(CC1C=CC=CC=1)(=O)NCC(C)=O

$$$$
C(NCCC1C=CN=CC=1)(=O)C1=CC=C(Cl)C(Cl)=C1
  MOLSOFT 07291514422D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -7.7000   -3.6373    0.0000 C   0  0  0
   -8.4000   -2.4249    0.0000 C   0  0  0
   -9.8000   -2.4249    0.0000 Cl  0  0  0
   -7.7000   -1.2124    0.0000 C   0  0  0
   -8.4000   -0.0000    0.0000 Cl  0  0  0
   -6.3000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  1  2  1
  1 11  2
  1 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 15 17  1
 17 18  1
 19 12  1
 17 19  2
M  END
> <Smiles>
C(NCCC1C=CN=CC=1)(=O)C1=CC=C(Cl)C(Cl)=C1

$$$$
N1C=CC(C)=CC=1N
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  1
  4  6  2
  7  1  2
  6  7  1
  7  8  1
M  END
> <Smiles>
N1C=CC(C)=CC=1N

$$$$
C(C1CCC1)(=O)N1CCOCC1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -0.0000    0.0000 C   0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0
    0.9899    0.9899    0.0000 C   0  0  0
    1.9799    0.0000    0.0000 C   0  0  0
    0.9899   -0.9899    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  5  2  1
  4  5  1
  1  2  1
  1  6  2
  1  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 12  7  1
 11 12  1
M  END
> <Smiles>
C(C1CCC1)(=O)N1CCOCC1

$$$$
C1(C(O)=O)=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1
  MOLSOFT 07291514422D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    7.5078   -2.8590    0.0000 F   0  0  0
    5.8620   -5.1242    0.0000 F   0  0  0
    7.8175   -4.8145    0.0000 F   0  0  0
    4.2733   -3.7381    0.0000 C   0  0  0
    3.1407   -2.9152    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  2  3  1
  2  4  2
  1  2  1
  1  5  2
  5  6  1
  6  7  1
  8  9  2
  9 10  1
 10 11  2
 12 13  1
 12 14  1
 12 15  1
 11 12  1
 11 16  1
 17  8  1
 16 17  2
  7  8  1
 18  1  1
  7 18  2
M  END
> <Smiles>
C1(C(O)=O)=CSC(C2=CC=C(C(F)(F)F)C=C2)=N1

$$$$
C1(C2CCN(C(C)=O)CC2)C2=CC=CC=C2NC=1
  MOLSOFT 07291514422D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 N   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -6.3000    1.2124    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 O   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  7  1
  6  8  2
  5  6  1
  5  9  1
 10  2  1
  9 10  1
  1  2  1
  1 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 16 17  1
 18  1  2
 17 18  1
M  END
> <Smiles>
C1(C2CCN(C(C)=O)CC2)C2=CC=CC=C2NC=1

$$$$
N1(CCCCC1)C1C=CC=CC=1N
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 N   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
 12 13  1
M  END
> <Smiles>
N1(CCCCC1)C1C=CC=CC=1N

$$$$
C(=O)(CC#N)N1CCSCC1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 S   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  2
  3  4  1
  4  5  3
  1  3  1
  1  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 11  6  1
 10 11  1
M  END
> <Smiles>
C(=O)(CC#N)N1CCSCC1

$$$$
C(N)(=O)C1=CC=C(C)C=C1
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  2
  5  6  1
  6  7  2
  7  8  1
  7  9  1
 10  4  1
  9 10  2
M  END
> <Smiles>
C(N)(=O)C1=CC=C(C)C=C1

$$$$
C12C=C(C)C=CC=1OCO2
  MOLSOFT 07291514422D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.3923    0.1463    0.0000 C   0  0  0
   -1.9618    1.4253    0.0000 C   0  0  0
   -3.3541    1.5716    0.0000 C   0  0  0
   -1.1389    2.5579    0.0000 C   0  0  0
    0.2535    2.4116    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  3  5  1
  5  6  2
  7  1  2
  6  7  1
  7  8  1
  8  9  1
 10  1  1
  9 10  1
M  END
> <Smiles>
C12C=C(C)C=CC=1OCO2

$$$$
N1C=C(C#N)C=CC=1C1=CC=CC=C1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  2
  4  5  3
  3  4  1
  3  6  1
  6  7  2
  8  1  2
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
M  END
> <Smiles>
N1C=C(C#N)C=CC=1C1=CC=CC=C1

$$$$
C(N)(=O)C1C=CC2=C(CCCO2)C=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  9 10  1
 10 11  1
 12  7  1
 11 12  1
  8  9  1
 13  4  2
  8 13  1
M  END
> <Smiles>
C(N)(=O)C1C=CC2=C(CCCO2)C=1

$$$$
S1C(C(O)=O)=CC=C1C1=CC=CO1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 S   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 O   0  0  0
   -0.9791    2.7552    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.2132   -3.5967    0.0000 C   0  0  0
    0.3903   -4.7294    0.0000 C   0  0  0
   -0.9412   -4.2967    0.0000 C   0  0  0
   -0.9412   -2.8967    0.0000 O   0  0  0
  1  2  1
  3  4  1
  3  5  2
  2  3  1
  2  6  2
  6  7  1
  8  1  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  9  1
 12 13  1
M  END
> <Smiles>
S1C(C(O)=O)=CC=C1C1=CC=CO1

$$$$
C(O)(=O)C1=CC=C(CC2=CC=CS2)C=C1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.3306    2.4914    0.0000 C   0  0  0
    5.3710    3.4282    0.0000 C   0  0  0
    6.5834    2.7282    0.0000 C   0  0  0
    6.2923    1.3588    0.0000 S   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  2
  5  6  1
  6  7  2
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  9  1
 12 13  1
  7  8  1
  7 14  1
 15  4  1
 14 15  2
M  END
> <Smiles>
C(O)(=O)C1=CC=C(CC2=CC=CS2)C=C1

$$$$
C1(C=CSC=1)C1=CC=CC(CO)=C1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -5.6000    2.4249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  2
  3  4  1
  5  1  2
  4  5  1
  1  2  1
  1  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 11 12  1
 10 11  1
 13  6  1
 10 13  2
M  END
> <Smiles>
C1(C=CSC=1)C1=CC=CC(CO)=C1

$$$$
N1C=CC=C(CNC)C=1
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    4.9000   -3.6373    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  7  1
  7  8  1
  5  6  1
  9  1  2
  5  9  1
M  END
> <Smiles>
N1C=CC=C(CNC)C=1

$$$$
C1(=CC=CC=C1F)C(N)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 F   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  1  2  2
  1  8  1
  8  9  1
  8 10  2
M  END
> <Smiles>
C1(=CC=CC=C1F)C(N)=O

$$$$
C(F)(F)(F)C1C=CC(OC)=C(N)C=1
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000   -1.4000    0.0000 F   0  0  0
   -1.4000    1.4000    0.0000 F   0  0  0
   -2.8000    0.0000    0.0000 F   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  9 10  1
  8  9  1
  8 11  2
 11 12  1
 13  5  2
 11 13  1
M  END
> <Smiles>
C(F)(F)(F)C1C=CC(OC)=C(N)C=1

$$$$
C(F)(F)(F)C(=O)OC1C=CC=CC=1
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -3.5000   -2.6124    0.0000 F   0  0  0
   -3.5000    0.1876    0.0000 F   0  0  0
   -4.9000   -1.2124    0.0000 F   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  2
  5  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
M  END
> <Smiles>
C(F)(F)(F)C(=O)OC1C=CC=CC=1

$$$$
C(OCC=C)(COC1C=CC=CC=1)=O
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -7.7000   -3.6373    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
  2  3  1
  3  4  1
  4  5  2
  1  2  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
  1  6  1
  1 14  2
M  END
> <Smiles>
C(OCC=C)(COC1C=CC=CC=1)=O

$$$$
C1(=CC(C)=CC=C1O)NC(C)=O
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  1
  3  5  2
  5  6  1
  7  1  1
  6  7  2
  7  8  1
  1  2  2
  1  9  1
  9 10  1
 10 11  1
 10 12  2
M  END
> <Smiles>
C1(=CC(C)=CC=C1O)NC(C)=O

$$$$
C(OC)(=O)C1C=CC(C)=C(C)C=1
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  1  2  1
  1  4  2
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  1
  8 10  2
 10 11  1
 12  5  2
 10 12  1
M  END
> <Smiles>
C(OC)(=O)C1C=CC(C)=C(C)C=1

$$$$
N1(CCOCC1)CC1C=CC(CO)=CC=1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -4.8497    0.0000 C   0  0  0
   -3.5000   -6.0622    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 12 13  1
 11 12  1
 11 14  2
 15  8  2
 14 15  1
M  END
> <Smiles>
N1(CCOCC1)CC1C=CC(CO)=CC=1

$$$$
C(C)(=O)NC1=CC=C(N)C=C1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  8 10  1
 11  5  1
 10 11  2
M  END
> <Smiles>
C(C)(=O)NC1=CC=C(N)C=C1

$$$$
N1(C)C(CNC)=CC(C)=N1
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  1  3  1
  4  5  1
  5  6  1
  3  4  1
  3  7  2
  7  8  1
  8  9  1
 10  1  1
  8 10  2
M  END
> <Smiles>
N1(C)C(CNC)=CC(C)=N1

$$$$
C12C=CC(CNC)=CC=1OCCN2C
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 N   0  0  0
   -4.2000    4.8497    0.0000 C   0  0  0
    0.0000    2.4249    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 O   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  6  7  1
  4  5  1
  4  8  2
  9  1  2
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  1  1
 12 13  1
 13 14  1
M  END
> <Smiles>
C12C=CC(CNC)=CC=1OCCN2C

$$$$
C(O)(=O)C1=CC=C(NCC)C=C1
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  2
  5  6  1
  6  7  2
  8  9  1
  9 10  1
  7  8  1
  7 11  1
 12  4  1
 11 12  2
M  END
> <Smiles>
C(O)(=O)C1=CC=C(NCC)C=C1

$$$$
N1C(C)=NSC=1C1C=CC=CC=1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  2
  4  5  1
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
M  END
> <Smiles>
N1C(C)=NSC=1C1C=CC=CC=1

$$$$
C1(=CC=CC(CO)=N1)N1CCCC1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.2229   -1.1326    0.0000 C   0  0  0
   -3.5544   -0.7000    0.0000 C   0  0  0
   -3.5544    0.7000    0.0000 C   0  0  0
   -2.2229    1.1326    0.0000 C   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  7  1
  5  6  1
  8  1  1
  5  8  2
  1  2  2
  1  9  1
  9 10  1
 10 11  1
 11 12  1
 13  9  1
 12 13  1
M  END
> <Smiles>
C1(=CC=CC(CO)=N1)N1CCCC1

$$$$
C1(=CC=CO1)C1=CC=CC(CN)=C1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -5.6000    2.4249    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 11 12  1
 10 11  1
 13  6  1
 10 13  2
M  END
> <Smiles>
C1(=CC=CO1)C1=CC=CC(CN)=C1

$$$$
C1(NCC)C(C)=CC=C(NC(C)=O)C=1
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  1  2  1
  1  5  1
  5  6  1
  5  7  2
  7  8  1
  8  9  2
 10 11  1
 11 12  1
 11 13  2
  9 10  1
 14  1  2
  9 14  1
M  END
> <Smiles>
C1(NCC)C(C)=CC=C(NC(C)=O)C=1

$$$$
C(N)(=O)C1C=CN=C(Cl)C=1
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  4  2
  8 10  1
M  END
> <Smiles>
C(N)(=O)C1C=CN=C(Cl)C=1

$$$$
C1(C=CC(C2C=CC=CC=2)=NC=1)C(O)=O
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  2
  3  4  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  4  5  1
  4 11  2
 12  1  2
 11 12  1
  1  2  1
  1 13  1
 13 14  1
 13 15  2
M  END
> <Smiles>
C1(C=CC(C2C=CC=CC=2)=NC=1)C(O)=O

$$$$
C1(N)C(C)=CC=CC=1N
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
  1  2  1
  1  3  1
  3  4  1
  3  5  2
  5  6  1
  6  7  2
  8  1  2
  7  8  1
  8  9  1
M  END
> <Smiles>
C1(N)C(C)=CC=CC=1N

$$$$
N1(CCC(N)CC1)CC1=CC=CC=C1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  4  6  1
  7  1  1
  6  7  1
  1  2  1
  1  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
M  END
> <Smiles>
N1(CCC(N)CC1)CC1=CC=CC=C1

$$$$
S1C(C(C)=O)=CC=C1C1=CC=CS1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 S   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.2132   -3.5967    0.0000 C   0  0  0
    0.3903   -4.7294    0.0000 C   0  0  0
   -0.9412   -4.2967    0.0000 C   0  0  0
   -0.9412   -2.8967    0.0000 S   0  0  0
  1  2  1
  3  4  1
  3  5  2
  2  3  1
  2  6  2
  6  7  1
  8  1  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  9  1
 12 13  1
M  END
> <Smiles>
S1C(C(C)=O)=CC=C1C1=CC=CS1

$$$$
C1(C=C(CN)C=CN=1)N1CCCC1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.2229   -1.1326    0.0000 C   0  0  0
   -3.5544   -0.7000    0.0000 C   0  0  0
   -3.5544    0.7000    0.0000 C   0  0  0
   -2.2229    1.1326    0.0000 C   0  0  0
  2  3  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  8  1  2
  7  8  1
  1  2  1
  1  9  1
  9 10  1
 10 11  1
 11 12  1
 13  9  1
 12 13  1
M  END
> <Smiles>
C1(C=C(CN)C=CN=1)N1CCCC1

$$$$
O1CCC(OC2=CC=C(CNC)C=C2)CC1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    4.8497    0.0000 C   0  0  0
    6.3000    6.0622    0.0000 N   0  0  0
    7.0000    7.2746    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10 11  1
 11 12  1
  9 10  1
  9 13  1
 14  6  1
 13 14  2
  4  5  1
  4 15  1
 16  1  1
 15 16  1
M  END
> <Smiles>
O1CCC(OC2=CC=C(CNC)C=C2)CC1

$$$$
N1=C(C2C=CC(Cl)=CC=2)C=C(N)N1C
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
   -0.9076    6.4585    0.0000 Cl  0  0  0
    0.8944    4.8360    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
  1  2  2
  3  4  1
  4  5  2
  5  6  1
  6  7  1
  6  8  2
  9  3  2
  8  9  1
  2  3  1
  2 10  1
 10 11  2
 11 12  1
 13  1  1
 11 13  1
 13 14  1
M  END
> <Smiles>
N1=C(C2C=CC(Cl)=CC=2)C=C(N)N1C

$$$$
N#CC1=CC=C(OCCC)C=C1
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.8000    0.0000    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  3
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  8  1
  8  9  1
  9 10  1
  6  7  1
  6 11  1
 12  3  1
 11 12  2
M  END
> <Smiles>
N#CC1=CC=C(OCCC)C=C1

$$$$
C1(N=CC=CC=1C(O)=O)SC1=CC=C(C)C=C1
  MOLSOFT 07291514422D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 S   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
   -4.2000    4.8497    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  7  9  2
  1  2  1
  1 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 14 16  1
 17 11  1
 16 17  2
M  END
> <Smiles>
C1(N=CC=CC=1C(O)=O)SC1=CC=C(C)C=C1

$$$$
N1(CCOCC1)CC1C=CC(N)=CC=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -4.8497    0.0000 N   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  1
 11 13  2
 14  8  2
 13 14  1
M  END
> <Smiles>
N1(CCOCC1)CC1C=CC(N)=CC=1

$$$$
N1C=CC(CNC)=CC=1
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  6  7  1
  4  5  1
  4  8  2
  9  1  2
  8  9  1
M  END
> <Smiles>
N1C=CC(CNC)=CC=1

$$$$
C1(=CC=C(CNC)S1)N1CCOCC1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 N   0  0  0
    5.6986   -1.7764    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 O   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  5  6  1
  6  7  1
  4  5  1
  8  1  1
  4  8  1
  1  2  2
  1  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
M  END
> <Smiles>
C1(=CC=C(CNC)S1)N1CCOCC1

$$$$
N1C=C(CNC)C=CC=1C1=CC=CO1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.5694   -3.7038    0.0000 C   0  0  0
   -0.4710   -4.6406    0.0000 C   0  0  0
   -1.6834   -3.9406    0.0000 C   0  0  0
   -1.3923   -2.5712    0.0000 O   0  0  0
  1  2  1
  2  3  2
  4  5  1
  5  6  1
  3  4  1
  3  7  1
  7  8  2
  9  1  2
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
M  END
> <Smiles>
N1C=C(CNC)C=CC=1C1=CC=CO1

$$$$
C1(=NC=CC=N1)C1=CC=CC(CO)=C1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 N   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -5.6000    2.4249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  1  2  2
  1  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12 13  1
 11 12  1
 14  7  1
 11 14  2
M  END
> <Smiles>
C1(=NC=CC=N1)C1=CC=CC(CO)=C1

$$$$
C1(=CC=CN=C1SC)C(O)=O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 S   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  1  2  2
  1  9  1
  9 10  1
  9 11  2
M  END
> <Smiles>
C1(=CC=CN=C1SC)C(O)=O

$$$$
C1(C2C=CC(CNC)=CC=2)SC=CN=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 N   0  0  0
   -7.7000   -1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 S   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  7  1
  7  8  1
  5  6  1
  5  9  2
 10  2  2
  9 10  1
  1  2  1
  1 11  1
 11 12  1
 12 13  2
 14  1  2
 13 14  1
M  END
> <Smiles>
C1(C2C=CC(CNC)=CC=2)SC=CN=1

$$$$
C1(=CC=CO1)C1C=CC=C(C(O)=O)C=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 O   0  0  0
   -5.6000    2.4249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11 12  1
 11 13  2
 10 11  1
 14  6  2
 10 14  1
M  END
> <Smiles>
C1(=CC=CO1)C1C=CC=C(C(O)=O)C=1

$$$$
N1(CCCCCC1)CC(C)(C)CN
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.6074    1.2614    0.0000 C   0  0  0
    1.9723    1.5729    0.0000 C   0  0  0
    3.0669    0.7000    0.0000 C   0  0  0
    3.0669   -0.7000    0.0000 C   0  0  0
    1.9723   -1.5729    0.0000 C   0  0  0
    0.6074   -1.2614    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.3124   -0.5124    0.0000 C   0  0  0
   -0.8876   -1.9124    0.0000 C   0  0  0
   -2.8000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 N   0  0  0
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  7  1  1
  6  7  1
  1  2  1
  1  8  1
  8  9  1
  9 10  1
  9 11  1
  9 12  1
 12 13  1
M  END
> <Smiles>
N1(CCCCCC1)CC(C)(C)CN

$$$$
C1(C=CC=CC=1OCCCN(C)C)CN
  MOLSOFT 07291514422D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 N   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 11 13  1
  1  2  1
  1 14  1
 14 15  1
M  END
> <Smiles>
C1(C=CC=CC=1OCCCN(C)C)CN

$$$$
N1(C=CN=C1C)C1C=CC(N)=CC=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 N   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  2
  3  4  1
  5  1  1
  4  5  2
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  1
 10 12  2
 13  7  2
 12 13  1
M  END
> <Smiles>
N1(C=CN=C1C)C1C=CC(N)=CC=1

$$$$
N1(CCC(CO)CC1)CC1=CC=CS1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.5306   -2.4914    0.0000 C   0  0  0
   -2.5710   -3.4282    0.0000 C   0  0  0
   -3.7834   -2.7282    0.0000 C   0  0  0
   -3.4923   -1.3588    0.0000 S   0  0  0
  2  3  1
  3  4  1
  5  6  1
  4  5  1
  4  7  1
  8  1  1
  7  8  1
  1  2  1
  1  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
M  END
> <Smiles>
N1(CCC(CO)CC1)CC1=CC=CS1

$$$$
C1(C(F)(F)F)=NN=C(NC)S1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -1.4000   -1.4000    0.0000 F   0  0  0
   -1.4000    1.4000    0.0000 F   0  0  0
   -2.8000   -0.0000    0.0000 F   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 N   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
  2  3  1
  2  4  1
  2  5  1
  1  2  1
  1  6  2
  6  7  1
  7  8  2
  9 10  1
  8  9  1
 11  1  1
  8 11  1
M  END
> <Smiles>
C1(C(F)(F)F)=NN=C(NC)S1

$$$$
C1(=CC=CO1)C1=CC=CC=C1CN
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 N   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 11  6  1
 10 11  2
 11 12  1
 12 13  1
M  END
> <Smiles>
C1(=CC=CO1)C1=CC=CC=C1CN

$$$$
S1C(CNC)=CC=C1CN1CCOCC1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 S   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 N   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 N   0  0  0
    2.6965   -3.2134    0.0000 C   0  0  0
    3.6332   -4.2538    0.0000 C   0  0  0
    3.2006   -5.5853    0.0000 O   0  0  0
    1.8312   -5.8764    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
  1  2  1
  3  4  1
  4  5  1
  2  3  1
  2  6  2
  6  7  1
  8  1  1
  7  8  2
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Smiles>
S1C(CNC)=CC=C1CN1CCOCC1

$$$$
C(OCC)(=O)C1CCN(CC2C=CC=CC=2)CC1
  MOLSOFT 07291514422D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  1  2  1
  1  5  2
  1  6  1
  6  7  1
  7  8  1
  8  9  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
  9 10  1
  9 17  1
 18  6  1
 17 18  1
M  END
> <Smiles>
C(OCC)(=O)C1CCN(CC2C=CC=CC=2)CC1

$$$$
C1(=CC=CN=C1Cl)C(O)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  1  2  2
  1  8  1
  8  9  1
  8 10  2
M  END
> <Smiles>
C1(=CC=CN=C1Cl)C(O)=O

$$$$
C12CCCC=1C(C)=CC=C2OC
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.2535   -2.4116    0.0000 C   0  0  0
    1.0764   -3.5442    0.0000 C   0  0  0
   -1.1389   -2.5579    0.0000 C   0  0  0
   -1.9618   -1.4253    0.0000 C   0  0  0
   -1.3923   -0.1463    0.0000 C   0  0  0
   -2.2152    0.9863    0.0000 O   0  0  0
   -3.6076    0.8399    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  1  2
  4  5  1
  5  6  1
  6  7  1
  6  8  2
  8  9  1
 10  1  1
  9 10  2
 10 11  1
 11 12  1
M  END
> <Smiles>
C12CCCC=1C(C)=CC=C2OC

$$$$
C(N)(OCC1=CC=CC=C1)=O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
  1  3  1
  1 11  2
M  END
> <Smiles>
C(N)(OCC1=CC=CC=C1)=O

$$$$
C(O)(=O)C1=CC=C2C(CCO2)=C1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 C   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  2
  5  6  1
  6  7  2
  7  8  1
  9 10  1
 11  7  1
 10 11  1
  8  9  1
 12  4  1
  8 12  2
M  END
> <Smiles>
C(O)(=O)C1=CC=C2C(CCO2)=C1

$$$$
N1(CCOCC1)C1=CC=CC=C1CO
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 O   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  2
 12 13  1
 13 14  1
M  END
> <Smiles>
N1(CCOCC1)C1=CC=CC=C1CO

$$$$
C(OC)(=O)C1C=CC2C(=CC=CN=2)C=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  1  2  1
  1  4  2
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  1
 10 11  1
 11 12  2
 13  8  2
 12 13  1
  9 10  2
 14  5  2
  9 14  1
M  END
> <Smiles>
C(OC)(=O)C1C=CC2C(=CC=CN=2)C=1

$$$$
N1(CCCCC1)C1C=CC(C(O)=O)=CC=1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -6.3000    1.2124    0.0000 O   0  0  0
   -6.3000   -1.2124    0.0000 O   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  2
  9 10  1
 11 12  1
 11 13  2
 10 11  1
 10 14  2
 15  7  2
 14 15  1
M  END
> <Smiles>
N1(CCCCC1)C1C=CC(C(O)=O)=CC=1

$$$$
C(O)(=O)C1C=CC(C2C=CN=CC=2)=CC=1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 N   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
  7  8  1
  7 14  2
 15  4  2
 14 15  1
M  END
> <Smiles>
C(O)(=O)C1C=CC(C2C=CN=CC=2)=CC=1

$$$$
C(N)(=O)C1C=CC(OC)=CC=1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  8  9  1
  7  8  1
  7 10  2
 11  4  2
 10 11  1
M  END
> <Smiles>
C(N)(=O)C1C=CC(OC)=CC=1

$$$$
C12C=CC(OC)=CC=1CCCC2=O
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
   -2.1000    3.6373    0.0000 O   0  0  0
   -3.5000    3.6373    0.0000 C   0  0  0
    0.0000    2.4249    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  4  5  1
  4  7  2
  8  1  2
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 12  1  1
 11 12  1
 12 13  2
M  END
> <Smiles>
C12C=CC(OC)=CC=1CCCC2=O

$$$$
N1(CCNCC1)C(C)=O
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  7  9  2
M  END
> <Smiles>
N1(CCNCC1)C(C)=O

$$$$
C(O)(=O)C1(CCCCC1)C
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.0725   -0.8999    0.0000 C   0  0  0
   -2.3880   -0.4211    0.0000 O   0  0  0
   -0.8294   -2.2786    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.0725    0.8999    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  5  6  1
  6  7  1
  7  8  1
  9  4  1
  8  9  1
  4  5  1
  4 10  1
M  END
> <Smiles>
C(O)(=O)C1(CCCCC1)C

$$$$
N1(CCOCC1)C1C=CC=C(O)C=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  7  2
 11 13  1
M  END
> <Smiles>
N1(CCOCC1)C1C=CC=C(O)C=1

$$$$
C1(=CC=CN=C1SC)C(N)=O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 S   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  1  2  2
  1  9  1
  9 10  1
  9 11  2
M  END
> <Smiles>
C1(=CC=CN=C1SC)C(N)=O

$$$$
C(CN(C)CC1C=CC=CC=1)#C
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -4.9000   -3.6373    0.0000 C   0  0  0
  2  3  1
  3  4  1
  3  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
  1  2  1
  1 12  3
M  END
> <Smiles>
C(CN(C)CC1C=CC=CC=1)#C

$$$$
C(O)(=O)C1=CC=C(OC2C=CC=CC=2)C=C1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    4.9000    3.6373    0.0000 C   0  0  0
    6.3000    3.6373    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  2
  5  6  1
  6  7  2
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
  7  8  1
  7 15  1
 16  4  1
 15 16  2
M  END
> <Smiles>
C(O)(=O)C1=CC=C(OC2C=CC=CC=2)C=C1

$$$$
[C@@H]1(CO)CN(C)CC[C@H]1C1C=CC(F)=CC=1
  MOLSOFT 07291514422D

 16 17  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  2
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  1
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 F   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
  2  3  1
  1  2  1  6
  1  4  1
  4  5  1
  5  6  1
  5  7  1
  7  8  1
  9  1  1
  8  9  1
  9 10  1  1
 10 11  1
 11 12  2
 12 13  1
 13 14  1
 13 15  2
 16 10  2
 15 16  1
M  END
> <Smiles>
[C@@H]1(CO)CN(C)CC[C@H]1C1C=CC(F)=CC=1

$$$$
O1C2C(=CC=CC=2C=C1C(C)=O)OC
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 O   0  0  0
   -0.7997    2.9347    0.0000 O   0  0  0
   -1.8401    1.9979    0.0000 C   0  0  0
  1  2  1
  2  3  1
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  7  8  1
  9  1  1
  8  9  2
  9 10  1
 10 11  1
 10 12  2
  3  4  2
  3 13  1
 13 14  1
M  END
> <Smiles>
O1C2C(=CC=CC=2C=C1C(C)=O)OC

$$$$
C12OCCOC=1C=CC(C(C)=O)=C2
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
    0.0000    2.4249    0.0000 O   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  6  1  2
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 10 11  1
 10 12  2
  9 10  1
 13  1  1
  9 13  2
M  END
> <Smiles>
C12OCCOC=1C=CC(C(C)=O)=C2

$$$$
C(C1C=CC=CC=1)(=O)NC1=CC=NC=C1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 N   0  0  0
   -5.6000   -0.0000    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  1  2  1
  1  8  2
  1  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
M  END
> <Smiles>
C(C1C=CC=CC=1)(=O)NC1=CC=NC=C1

$$$$
C1(C(O)=O)C=C(C)OC=1C
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
  2  3  1
  2  4  2
  1  2  1
  1  5  1
  5  6  2
  6  7  1
  6  8  1
  9  1  2
  8  9  1
  9 10  1
M  END
> <Smiles>
C1(C(O)=O)C=C(C)OC=1C

$$$$
C1(=CC=C(CNC)C=C1)Cl
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 Cl  0  0  0
  2  3  1
  3  4  2
  5  6  1
  6  7  1
  4  5  1
  4  8  1
  9  1  1
  8  9  2
  1  2  2
  1 10  1
M  END
> <Smiles>
C1(=CC=C(CNC)C=C1)Cl

$$$$
C1(C=CC=CN=1)N(C)CCO
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  7  9  1
  9 10  1
 10 11  1
M  END
> <Smiles>
C1(C=CC=CN=1)N(C)CCO

$$$$
C1(=CC=CO1)C(O)=O
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  1
  6  8  2
M  END
> <Smiles>
C1(=CC=CO1)C(O)=O

$$$$
C(O)(C1C=CN=CC=1)=O
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  1  3  1
  1  9  2
M  END
> <Smiles>
C(O)(C1C=CN=CC=1)=O

$$$$
C1(=CC=CS1)C1=CC=CC(N)=C1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 10 11  1
 12  6  1
 10 12  2
M  END
> <Smiles>
C1(=CC=CS1)C1=CC=CC(N)=C1

$$$$
C1(NN)=C(Cl)C=CC=C1Cl.Cl
  MOLSOFT 07291514422D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.3000    0.0000    0.0000 C   0  0  0
    4.9000    0.0000    0.0000 N   0  0  0
    4.2000   -1.2124    0.0000 N   0  0  0
    7.0000    1.2124    0.0000 C   0  0  0
    6.3000    2.4249    0.0000 Cl  0  0  0
    8.4000    1.2124    0.0000 C   0  0  0
    9.1000   -0.0000    0.0000 C   0  0  0
    8.4000   -1.2124    0.0000 C   0  0  0
    7.0000   -1.2124    0.0000 C   0  0  0
    6.3000   -2.4249    0.0000 Cl  0  0  0
    1.8667    0.0000    0.0000 Cl  0  0  0
  2  3  1
  1  2  1
  1  4  2
  4  5  1
  4  6  1
  6  7  2
  7  8  1
  9  1  1
  8  9  2
  9 10  1
M  END
> <Smiles>
C1(NN)=C(Cl)C=CC=C1Cl.Cl

$$$$
C(O)(=O)C1C=CC(CCC)=CC=1
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  8  9  1
  9 10  1
  7  8  1
  7 11  2
 12  4  2
 11 12  1
M  END
> <Smiles>
C(O)(=O)C1C=CC(CCC)=CC=1

$$$$
C(F)(F)(F)OC1C=CC(C(C)=O)=CC=1
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.3124   -0.5124    0.0000 F   0  0  0
   -0.8876   -1.9124    0.0000 F   0  0  0
   -2.8000   -2.4249    0.0000 F   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 10 11  1
 10 12  2
  9 10  1
  9 13  2
 14  6  2
 13 14  1
M  END
> <Smiles>
C(F)(F)(F)OC1C=CC(C(C)=O)=CC=1

$$$$
C1(N)SC2=C(C=CC=C2)N=1
  MOLSOFT 07291514422D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 S   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  1  3  1
  3  4  1
  4  5  2
  6  7  2
  7  8  1
  9  4  1
  8  9  2
  5  6  1
 10  1  2
  5 10  1
M  END
> <Smiles>
C1(N)SC2=C(C=CC=C2)N=1

$$$$
C(OCC)(=O)C1=CC=C(N)C=C1
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  1  2  1
  1  5  2
  1  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
  9 11  1
 12  6  1
 11 12  2
M  END
> <Smiles>
C(OCC)(=O)C1=CC=C(N)C=C1

$$$$
C1(C=CC=CC=1O)C1C=CC=CC=1O
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 O   0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  1  2  1
  1  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
 13 14  1
M  END
> <Smiles>
C1(C=CC=CC=1O)C1C=CC=CC=1O

$$$$
C(O)(COC1=CC=CC(Cl)=C1)=O
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  9 10  1
 11  5  1
  9 11  2
  1  3  1
  1 12  2
M  END
> <Smiles>
C(O)(COC1=CC=CC(Cl)=C1)=O

$$$$
C(F)(F)(F)OC1=CC=C(CC#N)C=C1
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.3124   -0.5124    0.0000 F   0  0  0
   -0.8876   -1.9124    0.0000 F   0  0  0
   -2.8000   -2.4249    0.0000 F   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    5.6000    2.4249    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10 11  1
 11 12  3
  9 10  1
  9 13  1
 14  6  1
 13 14  2
M  END
> <Smiles>
C(F)(F)(F)OC1=CC=C(CC#N)C=C1

$$$$
C1(C(O)=O)C2C=CC=CC=2SC=1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  2  3  1
  2  4  2
  1  2  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
 10 11  1
 12  1  2
 11 12  1
M  END
> <Smiles>
C1(C(O)=O)C2C=CC=CC=2SC=1

$$$$
C1(=CC=CS1)C(O)=O
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  1
  6  8  2
M  END
> <Smiles>
C1(=CC=CS1)C(O)=O

$$$$
C1(=CSC(C)=N1)C1=CC=C(C(O)=O)S1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.2229   -1.1326    0.0000 C   0  0  0
   -3.5544   -0.7000    0.0000 C   0  0  0
   -3.5544    0.7000    0.0000 C   0  0  0
   -4.6870    1.5229    0.0000 C   0  0  0
   -4.5407    2.9152    0.0000 O   0  0  0
   -5.9660    0.9535    0.0000 O   0  0  0
   -2.2229    1.1326    0.0000 S   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  4  6  2
  1  2  2
  1  7  1
  7  8  2
  8  9  1
  9 10  2
 11 12  1
 11 13  2
 10 11  1
 14  7  1
 10 14  1
M  END
> <Smiles>
C1(=CSC(C)=N1)C1=CC=C(C(O)=O)S1

$$$$
C1(C=CC(F)=C(F)C=1F)C(O)=O
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 F   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 F   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  2
  3  4  1
  4  5  1
  4  6  2
  6  7  1
  8  1  2
  6  8  1
  8  9  1
  1  2  1
  1 10  1
 10 11  1
 10 12  2
M  END
> <Smiles>
C1(C=CC(F)=C(F)C=1F)C(O)=O

$$$$
C(OC)(=O)C1C=CC=C(N)C=1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  1  2  1
  1  4  2
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 11  5  2
  9 11  1
M  END
> <Smiles>
C(OC)(=O)C1C=CC=C(N)C=1

$$$$
N#CC1C=CC(C2C=CC=CC=2)=CN=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -2.8000    0.0000    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
  1  2  3
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
  6  7  1
  6 13  2
 14  3  2
 13 14  1
M  END
> <Smiles>
N#CC1C=CC(C2C=CC=CC=2)=CN=1

$$$$
C1(SC=CC=1OC)C(N)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 S   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 O   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  5  1  2
  4  5  1
  5  6  1
  6  7  1
  1  2  1
  1  8  1
  8  9  1
  8 10  2
M  END
> <Smiles>
C1(SC=CC=1OC)C(N)=O

$$$$
N1(CCOCC1)CC1=CC=CO1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.5306   -2.4914    0.0000 C   0  0  0
   -2.5710   -3.4282    0.0000 C   0  0  0
   -3.7834   -2.7282    0.0000 C   0  0  0
   -3.4923   -1.3588    0.0000 O   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  8  1
 11 12  1
M  END
> <Smiles>
N1(CCOCC1)CC1=CC=CO1

$$$$
N1(C)CCCC1CCO
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 O   0  0  0
  1  2  1
  1  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
M  END
> <Smiles>
N1(C)CCCC1CCO

$$$$
N1(CCCCC1)C1=CC=CC(CN)=C1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -5.6000    2.4249    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12 13  1
 11 12  1
 14  7  1
 11 14  2
M  END
> <Smiles>
N1(CCCCC1)C1=CC=CC(CN)=C1

$$$$
C1(=CC=CO1)C1C=CC(CO)=CC=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 O   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  1
  7  8  2
  8  9  1
 10 11  1
  9 10  1
  9 12  2
 13  6  2
 12 13  1
M  END
> <Smiles>
C1(=CC=CO1)C1C=CC(CO)=CC=1

$$$$
C12C(C(N)=O)=CC=CC=1C(=O)C1=CC=CC=C21
  MOLSOFT 07291514422D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.3923   -0.1463    0.0000 C   0  0  0
   -2.2152    0.9863    0.0000 C   0  0  0
   -1.6458    2.2652    0.0000 N   0  0  0
   -3.6076    0.8399    0.0000 O   0  0  0
   -1.9618   -1.4253    0.0000 C   0  0  0
   -1.1389   -2.5579    0.0000 C   0  0  0
    0.2535   -2.4116    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
  1  2  1
  3  4  1
  3  5  2
  2  3  1
  2  6  2
  6  7  1
  7  8  2
  9  1  2
  8  9  1
  9 10  1
 10 11  2
 10 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17  1  1
 17 12  1
 16 17  2
M  END
> <Smiles>
C12C(C(N)=O)=CC=CC=1C(=O)C1=CC=CC=C21

$$$$
C1(=CC=CS1)C1C=C(C)N=C(C)C=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 N   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  1
  7  8  2
  8  9  1
  8 10  1
 10 11  2
 11 12  1
 13  6  2
 11 13  1
M  END
> <Smiles>
C1(=CC=CS1)C1C=C(C)N=C(C)C=1

$$$$
C1(=CC=CS1)C(NCCSC(C)(C)C)=O
  MOLSOFT 07291514422D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 S   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -7.5124   -2.9373    0.0000 C   0  0  0
   -5.0876   -4.3373    0.0000 C   0  0  0
   -7.0000   -4.8497    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 11 13  1
 11 14  1
  6  7  1
  6 15  2
M  END
> <Smiles>
C1(=CC=CS1)C(NCCSC(C)(C)C)=O

$$$$
C1(C=CC=CC=1OCC)C(O)=O
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  1  2  1
  1 10  1
 10 11  1
 10 12  2
M  END
> <Smiles>
C1(C=CC=CC=1OCC)C(O)=O

$$$$
C1(C=CC=CC=1OC)Cl
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 Cl  0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  1  2  1
  1  9  1
M  END
> <Smiles>
C1(C=CC=CC=1OC)Cl

$$$$
N1C(C)=CNC=1
  MOLSOFT 07291514422D

  6  6  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  2
  4  5  1
  6  1  2
  5  6  1
M  END
> <Smiles>
N1C(C)=CNC=1

$$$$
C1(OC(C)=O)=CNC2=CC=CC=C12
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.1948   -1.6368    0.0000 C   0  0  0
    2.9037   -3.0062    0.0000 C   0  0  0
    1.5722   -3.4388    0.0000 C   0  0  0
    0.5318   -2.5020    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  2  3  1
  3  4  1
  3  5  2
  1  2  1
  1  6  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  1  1
 13  8  1
 12 13  2
M  END
> <Smiles>
C1(OC(C)=O)=CNC2=CC=CC=C12

$$$$
O1CCC(CNC)CC1
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  1
  6  7  1
  4  5  1
  4  8  1
  9  1  1
  8  9  1
M  END
> <Smiles>
O1CCC(CNC)CC1

$$$$
C1(C2=CC=CC(CNC)=C2)SC=CN=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -5.6000    2.4249    0.0000 N   0  0  0
   -6.3000    3.6373    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 S   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  8  1
  8  9  1
  6  7  1
 10  2  1
  6 10  2
  1  2  1
  1 11  1
 11 12  1
 12 13  2
 14  1  2
 13 14  1
M  END
> <Smiles>
C1(C2=CC=CC(CNC)=C2)SC=CN=1

$$$$
C1(C=CC(CO)=CC=1)C1C=CC=NC=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  2
  3  4  1
  5  6  1
  4  5  1
  4  7  2
  8  1  2
  7  8  1
  1  2  1
  1  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
M  END
> <Smiles>
C1(C=CC(CO)=CC=1)C1C=CC=NC=1

$$$$
C1(C=CC=C(C)C=1C)C(N)=O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  1  2
  5  7  1
  7  8  1
  1  2  1
  1  9  1
  9 10  1
  9 11  2
M  END
> <Smiles>
C1(C=CC=C(C)C=1C)C(N)=O

$$$$
C1(C=C(Cl)SC=1Cl)C(=O)NC1=CC=CN=C1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 Cl  0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 Cl  0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 C   0  0  0
   -5.6000   -0.0000    0.0000 N   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
  2  3  2
  3  4  1
  3  5  1
  6  1  2
  5  6  1
  6  7  1
  1  2  1
  1  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
M  END
> <Smiles>
C1(C=C(Cl)SC=1Cl)C(=O)NC1=CC=CN=C1

$$$$
C1(C=CC(N)=CC=1Cl)C(O)=O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  2
  3  4  1
  4  5  1
  4  6  2
  7  1  2
  6  7  1
  7  8  1
  1  2  1
  1  9  1
  9 10  1
  9 11  2
M  END
> <Smiles>
C1(C=CC(N)=CC=1Cl)C(O)=O

$$$$
N#CC1=CC=C2C(OCO2)=C1
  MOLSOFT 07291514422D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -2.8000    0.0000    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    3.0368   -2.2528    0.0000 O   0  0  0
    4.3157   -1.6834    0.0000 C   0  0  0
    4.1694   -0.2911    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  3
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  9  1
 10  6  1
  9 10  1
  7  8  1
 11  3  1
  7 11  2
M  END
> <Smiles>
N#CC1=CC=C2C(OCO2)=C1

$$$$
C(C)(=O)NC1C=CC(OC)=CC=1
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  9 10  1
  8  9  1
  8 11  2
 12  5  2
 11 12  1
M  END
> <Smiles>
C(C)(=O)NC1C=CC(OC)=CC=1

$$$$
S1C=CC(CC(OCC)=O)=C1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 S   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    4.5660   -0.9535    0.0000 C   0  0  0
    5.6986   -1.7764    0.0000 O   0  0  0
    6.9776   -1.2069    0.0000 C   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    4.7123    0.4389    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  7  8  1
  8  9  1
  6  7  1
  6 10  2
  4  5  1
 11  1  1
  4 11  2
M  END
> <Smiles>
S1C=CC(CC(OCC)=O)=C1

$$$$
C1(C=C(CNC)C=CN=1)N1CCCCC1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 N   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  2
  4  5  1
  5  6  1
  3  4  1
  3  7  1
  7  8  2
  9  1  2
  8  9  1
  1  2  1
  1 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  1
 15 10  1
 14 15  1
M  END
> <Smiles>
C1(C=C(CNC)C=CN=1)N1CCCCC1

$$$$
C12C(C(O)=O)=CC=CC=1CC(C)(C)O2
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.3923    0.1463    0.0000 C   0  0  0
   -2.2152   -0.9863    0.0000 C   0  0  0
   -3.6076   -0.8399    0.0000 O   0  0  0
   -1.6458   -2.2652    0.0000 O   0  0  0
   -1.9618    1.4253    0.0000 C   0  0  0
   -1.1389    2.5579    0.0000 C   0  0  0
    0.2535    2.4116    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    2.4455   -2.0694    0.0000 C   0  0  0
    3.5467   -0.5537    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
  1  2  1
  3  4  1
  3  5  2
  2  3  1
  2  6  2
  6  7  1
  7  8  2
  9  1  2
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 11 13  1
 14  1  1
 11 14  1
M  END
> <Smiles>
C12C(C(O)=O)=CC=CC=1CC(C)(C)O2

$$$$
N(CC1C=CC=CC=1)[C@@H]1CCCC[C@H]1O
  MOLSOFT 07291514422D

 15 16  0  0  1  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  2
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 C   0  0  0
   -5.6000   -0.0000    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  1
   -3.5000    1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  1
  4  5  2
  5  6  1
  6  7  2
  8  3  2
  7  8  1
  1  2  1
  9  1  1  6
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
 14 15  1  1
M  END
> <Smiles>
N(CC1C=CC=CC=1)[C@@H]1CCCC[C@H]1O

$$$$
C1(OC)C=CC(C)=CC=1
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  1  2  1
  1  4  1
  4  5  2
  5  6  1
  6  7  1
  6  8  2
  9  1  2
  8  9  1
M  END
> <Smiles>
C1(OC)C=CC(C)=CC=1

$$$$
C(OCC)(CC1=CC=C(OC)C=C1)=O
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
  2  3  1
  3  4  1
  1  2  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10 11  1
  9 10  1
  9 12  1
 13  6  1
 12 13  2
  1  5  1
  1 14  2
M  END
> <Smiles>
C(OCC)(CC1=CC=C(OC)C=C1)=O

$$$$
C(OC)(=O)C1=CC=CC=C1C#N
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -0.7000   -3.6373    0.0000 N   0  0  0
  2  3  1
  1  2  1
  1  4  2
  1  5  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
 10  5  1
  9 10  2
 10 11  1
 11 12  3
M  END
> <Smiles>
C(OC)(=O)C1=CC=CC=C1C#N

$$$$
N(CCCC)C1C=CC=CC=1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  1  2  1
  1  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11  6  2
 10 11  1
M  END
> <Smiles>
N(CCCC)C1C=CC=CC=1

$$$$
C(N)(=O)C1C=CC(C)=C(N)C=1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  7  9  2
  9 10  1
 11  4  2
  9 11  1
M  END
> <Smiles>
C(N)(=O)C1C=CC(C)=C(N)C=1

$$$$
N1(CCCC1)C1=CC=CC(CN)=C1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -5.6000    2.4249    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  5  1  1
  4  5  1
  1  2  1
  1  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 11 12  1
 10 11  1
 13  6  1
 10 13  2
M  END
> <Smiles>
N1(CCCC1)C1=CC=CC(CN)=C1

$$$$
C1(=C(F)C=CC=C1N)C(O)=O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 F   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  2  4  1
  4  5  2
  5  6  1
  7  1  1
  6  7  2
  7  8  1
  1  2  2
  1  9  1
  9 10  1
  9 11  2
M  END
> <Smiles>
C1(=C(F)C=CC=C1N)C(O)=O

$$$$
C(F)(F)(F)C1C=CC(N)=C(Cl)C=1
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000   -1.4000    0.0000 F   0  0  0
   -1.4000    1.4000    0.0000 F   0  0  0
   -2.8000    0.0000    0.0000 F   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  1
  8 10  2
 10 11  1
 12  5  2
 10 12  1
M  END
> <Smiles>
C(F)(F)(F)C1C=CC(N)=C(Cl)C=1

$$$$
C(F)(F)(F)C1C=CC(N2CCOCC2)=C(CO)C=1
  MOLSOFT 07291514422D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000   -1.4000    0.0000 F   0  0  0
   -1.4000    1.4000    0.0000 F   0  0  0
   -2.8000    0.0000    0.0000 F   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 O   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 14  9  1
 13 14  1
  8  9  1
  8 15  2
 16 17  1
 15 16  1
 18  5  2
 15 18  1
M  END
> <Smiles>
C(F)(F)(F)C1C=CC(N2CCOCC2)=C(CO)C=1

$$$$
C1(=CN=CN=C1)C1C=CC(CNC)=CC=1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 N   0  0  0
   -7.7000   -1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  1  2  2
  1  7  1
  7  8  1
  8  9  2
  9 10  1
 11 12  1
 12 13  1
 10 11  1
 10 14  2
 15  7  2
 14 15  1
M  END
> <Smiles>
C1(=CN=CN=C1)C1C=CC(CNC)=CC=1

$$$$
N(CC1=CC=CN=C1)(CC1=CC=CS1)C(=O)C(C)(C)C
  MOLSOFT 07291514422D

 20 21  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.5306   -4.9163    0.0000 C   0  0  0
   -2.5710   -5.8531    0.0000 C   0  0  0
   -3.7834   -5.1531    0.0000 C   0  0  0
   -3.4923   -3.7836    0.0000 S   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.4124   -1.7249    0.0000 C   0  0  0
   -2.9876   -3.1249    0.0000 C   0  0  0
   -4.9000   -3.6373    0.0000 C   0  0  0
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  1  2  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
  1  9  1
  1 15  1
 15 16  2
 15 17  1
 17 18  1
 17 19  1
 17 20  1
M  END
> <Smiles>
N(CC1=CC=CN=C1)(CC1=CC=CS1)C(=O)C(C)(C)C

$$$$
C(F)(F)(F)C1C=CC(NC(C)=O)=C(N)C=1
  MOLSOFT 07291514422D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000   -1.4000    0.0000 F   0  0  0
   -1.4000    1.4000    0.0000 F   0  0  0
   -2.8000    0.0000    0.0000 F   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  9 10  1
 10 11  1
 10 12  2
  8  9  1
  8 13  2
 13 14  1
 15  5  2
 13 15  1
M  END
> <Smiles>
C(F)(F)(F)C1C=CC(NC(C)=O)=C(N)C=1

$$$$
C1(C=CC(C)=NC=1Cl)C(N)=O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  2
  3  4  1
  4  5  1
  4  6  2
  7  1  2
  6  7  1
  7  8  1
  1  2  1
  1  9  1
  9 10  1
  9 11  2
M  END
> <Smiles>
C1(C=CC(C)=NC=1Cl)C(N)=O

$$$$
N1=C(C)SC=C1C1=CC=CC(C(O)=O)=C1
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -2.7812   -4.3777    0.0000 C   0  0  0
   -3.7179   -3.3373    0.0000 O   0  0  0
   -3.2138   -5.7092    0.0000 O   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  2
  2  3  1
  2  4  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12 13  1
 12 14  2
 11 12  1
 15  7  1
 11 15  2
M  END
> <Smiles>
N1=C(C)SC=C1C1=CC=CC(C(O)=O)=C1

$$$$
C12OCCOC1=CC=CC=2C#N
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
    0.0000    2.4249    0.0000 O   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -0.7000   -3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  1  2
  9 10  1
 10 11  1
 11 12  3
M  END
> <Smiles>
C12OCCOC1=CC=CC=2C#N

$$$$
C1(C=CC(Cl)=CC=1Cl)C(=O)NC1=CC=CN=C1
  MOLSOFT 07291514422D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 C   0  0  0
   -5.6000   -0.0000    0.0000 N   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
  2  3  2
  3  4  1
  4  5  1
  4  6  2
  7  1  2
  6  7  1
  7  8  1
  1  2  1
  1  9  1
  9 10  2
  9 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
M  END
> <Smiles>
C1(C=CC(Cl)=CC=1Cl)C(=O)NC1=CC=CN=C1

$$$$
C1(=C(F)C=CC=C1NCCC1C=CC=CN=1)C#N
  MOLSOFT 07291514422D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 F   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    2.1000   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 C   0  0  0
    2.1000   -8.4870    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
  2  3  1
  2  4  1
  4  5  2
  5  6  1
  7  1  1
  6  7  2
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
  1  2  2
  1 17  1
 17 18  3
M  END
> <Smiles>
C1(=C(F)C=CC=C1NCCC1C=CC=CN=1)C#N

$$$$
C1(=CC=CC=C1C(O)=O)C1=CC=CS1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.2229   -1.1326    0.0000 C   0  0  0
   -3.5544   -0.7000    0.0000 C   0  0  0
   -3.5544    0.7000    0.0000 C   0  0  0
   -2.2229    1.1326    0.0000 S   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  7  9  2
  1  2  2
  1 10  1
 10 11  2
 11 12  1
 12 13  2
 14 10  1
 13 14  1
M  END
> <Smiles>
C1(=CC=CC=C1C(O)=O)C1=CC=CS1

$$$$
C1(C2=CC=CC(C(O)=O)=C2)SC=CN=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -3.5000    3.6373    0.0000 O   0  0  0
   -5.6000    2.4249    0.0000 O   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 S   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  8  1
  7  9  2
  6  7  1
 10  2  1
  6 10  2
  1  2  1
  1 11  1
 11 12  1
 12 13  2
 14  1  2
 13 14  1
M  END
> <Smiles>
C1(C2=CC=CC(C(O)=O)=C2)SC=CN=1

$$$$
C(F)(F)(F)OC1=CC=C(C(OC)=O)C=C1
  MOLSOFT 07291514422D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.3124   -0.5124    0.0000 F   0  0  0
   -0.8876   -1.9124    0.0000 F   0  0  0
   -2.8000   -2.4249    0.0000 F   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 11 12  1
 10 11  1
 10 13  2
  9 10  1
  9 14  1
 15  6  1
 14 15  2
M  END
> <Smiles>
C(F)(F)(F)OC1=CC=C(C(OC)=O)C=C1

$$$$
C(N)(=O)OC1C=CC=CC=1
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
M  END
> <Smiles>
C(N)(=O)OC1C=CC=CC=1

$$$$
N1C=CC(C2C=CC=CC=2)=CC=1
  MOLSOFT 07291514422D

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
  4  5  1
  4 11  2
 12  1  2
 11 12  1
M  END
> <Smiles>
N1C=CC(C2C=CC=CC=2)=CC=1

$$$$
C(N)(=O)NC1C=CC=CC=1
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
M  END
> <Smiles>
C(N)(=O)NC1C=CC=CC=1

$$$$
C1(C(F)=CC=CC=1NCCCN(C)C)C#N
  MOLSOFT 07291514422D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 F   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
   -0.0000   -7.2746    0.0000 N   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
  2  3  1
  2  4  2
  4  5  1
  5  6  2
  7  1  2
  6  7  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 12 13  1
 12 14  1
  1  2  1
  1 15  1
 15 16  3
M  END
> <Smiles>
C1(C(F)=CC=CC=1NCCCN(C)C)C#N

$$$$
C(=O)(C1=CC=CC(Cl)=C1)NCC1C=CC=CN=1
  MOLSOFT 07291514422D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -4.8497    0.0000 C   0  0  0
   -5.6000   -4.8497    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 N   0  0  0
  1  2  2
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  7  8  1
  9  3  1
  7  9  2
  1  3  1
  1 10  1
 10 11  1
 11 12  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
M  END
> <Smiles>
C(=O)(C1=CC=CC(Cl)=C1)NCC1C=CC=CN=1

$$$$
N1(CCOCC1)CC1C=CC=CC=1CN
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 C   0  0  0
   -5.6000   -0.0000    0.0000 N   0  0  0
  2  3  1
  3  4  1
  4  5  1
  6  1  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  8  2
 12 13  1
 13 14  1
 14 15  1
M  END
> <Smiles>
N1(CCOCC1)CC1C=CC=CC=1CN

$$$$
N(CCO)C1C=CC=CC=1
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  1  2  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  5  2
  9 10  1
M  END
> <Smiles>
N(CCO)C1C=CC=CC=1

$$$$
C1(=CC(Cl)=CC=C1OC)C#N
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 Cl  0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
  2  3  1
  3  4  1
  3  5  2
  5  6  1
  7  1  1
  6  7  2
  7  8  1
  8  9  1
  1  2  2
  1 10  1
 10 11  3
M  END
> <Smiles>
C1(=CC(Cl)=CC=C1OC)C#N

$$$$
N1(C=CC=C1)C1CCN(CC2C=CC=CC=2)CC1
  MOLSOFT 07291514422D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 N   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -7.7000   -3.6373    0.0000 C   0  0  0
   -8.4000   -2.4249    0.0000 C   0  0  0
   -7.7000   -1.2124    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  2
  3  4  1
  5  1  1
  4  5  2
  1  2  1
  1  6  1
  6  7  1
  7  8  1
  8  9  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
  9 10  1
  9 17  1
 18  6  1
 17 18  1
M  END
> <Smiles>
N1(C=CC=C1)C1CCN(CC2C=CC=CC=2)CC1

$$$$
C1(N)NC2=C(C=CC=C2)N=1
  MOLSOFT 07291514422D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  1  3  1
  3  4  1
  4  5  2
  6  7  2
  7  8  1
  9  4  1
  8  9  2
  5  6  1
 10  1  2
  5 10  1
M  END
> <Smiles>
C1(N)NC2=C(C=CC=C2)N=1

$$$$
C1(=CC=CS1)C1C=CC(C#N)=CN=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -7.0000    0.0000    0.0000 N   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 N   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  6  7  1
  7  8  2
  8  9  1
 10 11  3
  9 10  1
  9 12  2
 13  6  2
 12 13  1
M  END
> <Smiles>
C1(=CC=CS1)C1C=CC(C#N)=CN=1

$$$$
C1(=CC=CC=C1SC)C(OC)=O
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 S   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  1  2  2
  1  9  1
 10 11  1
  9 10  1
  9 12  2
M  END
> <Smiles>
C1(=CC=CC=C1SC)C(OC)=O

$$$$
S(=O)(=O)(N(CC)CC)C1C=CC(C)=CC=1
  MOLSOFT 07291514422D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 S   0  0  0
   -1.4000   -1.4000    0.0000 O   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 N   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.9000    1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  2
  1  3  2
  5  6  1
  4  5  1
  4  7  1
  7  8  1
  1  4  1
  1  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  1
 12 14  2
 15  9  2
 14 15  1
M  END
> <Smiles>
S(=O)(=O)(N(CC)CC)C1C=CC(C)=CC=1

$$$$
C1(SC=CC=1C)C(O)=O
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 S   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  5  1  2
  4  5  1
  5  6  1
  1  2  1
  1  7  1
  7  8  1
  7  9  2
M  END
> <Smiles>
C1(SC=CC=1C)C(O)=O

$$$$
C1(C=CSC=1)C(O)=O
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
  2  3  2
  3  4  1
  5  1  2
  4  5  1
  1  2  1
  1  6  1
  6  7  1
  6  8  2
M  END
> <Smiles>
C1(C=CSC=1)C(O)=O

$$$$
N1(CCCC1)C1C=CC(C#N)=NC=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -5.6000    0.0000    0.0000 C   0  0  0
   -7.0000    0.0000    0.0000 N   0  0  0
   -3.5000    1.2124    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  5  1  1
  4  5  1
  1  2  1
  1  6  1
  6  7  1
  7  8  2
  8  9  1
 10 11  3
  9 10  1
  9 12  2
 13  6  2
 12 13  1
M  END
> <Smiles>
N1(CCCC1)C1C=CC(C#N)=NC=1

$$$$
N(C)(C)CCCOC1=CC=C(CNC)C=C1
  MOLSOFT 07291514422D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 N   0  0  0
   -6.3000   -1.2124    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12 13  1
 13 14  1
 11 12  1
 11 15  1
 16  8  1
 15 16  2
M  END
> <Smiles>
N(C)(C)CCCOC1=CC=C(CNC)C=C1

$$$$
C(N)(=O)NC1CCCCC1
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
 10  5  1
  9 10  1
M  END
> <Smiles>
C(N)(=O)NC1CCCCC1

$$$$
C12C(N)=CC=CC1=NSN=2
  MOLSOFT 07291514422D

 10 11  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.3923    0.1463    0.0000 C   0  0  0
   -2.2152   -0.9863    0.0000 N   0  0  0
   -1.9618    1.4253    0.0000 C   0  0  0
   -1.1389    2.5579    0.0000 C   0  0  0
    0.2535    2.4116    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 S   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  2  3  1
  2  4  2
  4  5  1
  5  6  2
  7  1  1
  6  7  1
  7  8  2
  8  9  1
 10  1  2
  9 10  1
M  END
> <Smiles>
C12C(N)=CC=CC1=NSN=2

$$$$
C1(=CC=NN1C)C1=CC=CC(CN)=C1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -4.2000    2.4249    0.0000 C   0  0  0
   -5.6000    2.4249    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  5  6  1
  1  2  2
  1  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12 13  1
 11 12  1
 14  7  1
 11 14  2
M  END
> <Smiles>
C1(=CC=NN1C)C1=CC=CC(CN)=C1

$$$$
N1OC(CO)=CC=1C1=CC=CC=C1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 O   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  1
  2  3  1
  4  5  1
  3  4  1
  3  6  2
  7  1  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  8  1
 12 13  2
M  END
> <Smiles>
N1OC(CO)=CC=1C1=CC=CC=C1

$$$$
S(C)(=O)(=O)N1CCCC2=CC=CC=C12
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 S   0  0  0
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000    1.4000    0.0000 O   0  0  0
   -2.8000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    2.1000   -3.6373    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  2
  1  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  5  1
 14  9  1
 13 14  2
M  END
> <Smiles>
S(C)(=O)(=O)N1CCCC2=CC=CC=C12

$$$$
S1C(C2=CC=CN=C2)=CC=C1C(O)=O
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 S   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
    0.8944    4.8360    0.0000 N   0  0  0
    1.3271    3.5045    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 O   0  0  0
    1.3271   -3.5045    0.0000 O   0  0  0
  1  2  1
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  2  3  1
  2  9  2
  9 10  1
 11  1  1
 10 11  2
 11 12  1
 12 13  1
 12 14  2
M  END
> <Smiles>
S1C(C2=CC=CN=C2)=CC=C1C(O)=O

$$$$
C1(C(Cl)=CC=CN=1)N1CCOCC1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 Cl  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 O   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  1
  2  4  2
  4  5  1
  5  6  2
  7  1  2
  6  7  1
  1  2  1
  1  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  8  1
 12 13  1
M  END
> <Smiles>
C1(C(Cl)=CC=CN=1)N1CCOCC1

$$$$
C1(=CC=CC=C1)[C@H](C)NCCO
  MOLSOFT 07291514422D

 12 12  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  2
   -2.1000    1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  1  2  2
  1  7  1
  7  8  1  1
  7  9  1
  9 10  1
 10 11  1
 11 12  1
M  END
> <Smiles>
C1(=CC=CC=C1)[C@H](C)NCCO

$$$$
N1=CC(N)=CC=C1Cl
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
  1  2  2
  2  3  1
  3  4  1
  3  5  2
  5  6  1
  7  1  1
  6  7  2
  7  8  1
M  END
> <Smiles>
N1=CC(N)=CC=C1Cl

$$$$
C(F)(F)(F)OC1C=CC(Cl)=CC=1N
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.3124   -0.5124    0.0000 F   0  0  0
   -0.8876   -1.9124    0.0000 F   0  0  0
   -2.8000   -2.4249    0.0000 F   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  1
  9 11  2
 12  6  2
 11 12  1
 12 13  1
M  END
> <Smiles>
C(F)(F)(F)OC1C=CC(Cl)=CC=1N

$$$$
O1C(C2C=CC(Cl)=CC=2)=CC=C1C(O)=O
  MOLSOFT 07291514422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 C   0  0  0
   -0.9076    6.4585    0.0000 Cl  0  0  0
    0.8944    4.8360    0.0000 C   0  0  0
    1.3271    3.5045    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 O   0  0  0
    1.3271   -3.5045    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  2
  5  6  1
  6  7  1
  6  8  2
  9  3  2
  8  9  1
  2  3  1
  2 10  2
 10 11  1
 12  1  1
 11 12  2
 12 13  1
 13 14  1
 13 15  2
M  END
> <Smiles>
O1C(C2C=CC(Cl)=CC=2)=CC=C1C(O)=O

$$$$
C1(N)C(C)=NOC=1C
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
  1  2  1
  1  3  1
  3  4  1
  3  5  2
  5  6  1
  7  1  2
  6  7  1
  7  8  1
M  END
> <Smiles>
C1(N)C(C)=NOC=1C

$$$$
N1=C(C)SC=C1C1C=CC=C(F)C=1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -2.7812   -4.3777    0.0000 F   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
  1  2  2
  2  3  1
  2  4  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  7  2
 11 13  1
M  END
> <Smiles>
N1=C(C)SC=C1C1C=CC=C(F)C=1

$$$$
N1C(Cl)=CC(C(O)=O)=CC=1Cl
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 Cl  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  2  4  2
  4  5  1
  6  7  1
  6  8  2
  5  6  1
  5  9  2
 10  1  2
  9 10  1
 10 11  1
M  END
> <Smiles>
N1C(Cl)=CC(C(O)=O)=CC=1Cl

$$$$
C1(N)N(C)C2=C(C=CC=C2)N=1
  MOLSOFT 07291514422D

 11 12  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 N   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  1  2  1
  1  3  1
  3  4  1
  3  5  1
  5  6  2
  7  8  2
  8  9  1
 10  5  1
  9 10  2
  6  7  1
 11  1  2
  6 11  1
M  END
> <Smiles>
C1(N)N(C)C2=C(C=CC=C2)N=1

$$$$
N1=C(C)SC=C1C1C=CC=CC=1.Br
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
    5.6118    1.3315    0.0000 N   0  0  0
    6.4347    2.4641    0.0000 C   0  0  0
    6.0020    3.7956    0.0000 C   0  0  0
    7.7661    2.0315    0.0000 S   0  0  0
    7.7661    0.6315    0.0000 C   0  0  0
    6.4347    0.1989    0.0000 C   0  0  0
    6.0020   -1.1326    0.0000 C   0  0  0
    6.9388   -2.1730    0.0000 C   0  0  0
    6.5062   -3.5045    0.0000 C   0  0  0
    5.1368   -3.7956    0.0000 C   0  0  0
    4.2000   -2.7552    0.0000 C   0  0  0
    4.6326   -1.4237    0.0000 C   0  0  0
    1.8667    0.0000    0.0000 Br  0  0  0
  1  2  2
  2  3  1
  2  4  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12  7  2
 11 12  1
M  END
> <Smiles>
N1=C(C)SC=C1C1C=CC=CC=1.Br

$$$$
C1(C(O)=O)=C(C)C2=C(C=CC=C2)O1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.3668   -1.4000    0.0000 C   0  0  0
    4.5792   -0.7000    0.0000 C   0  0  0
    4.5792    0.7000    0.0000 C   0  0  0
    3.3668    1.4000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 O   0  0  0
  2  3  1
  2  4  2
  1  2  1
  1  5  2
  5  6  1
  5  7  1
  7  8  2
  9 10  2
 10 11  1
 12  7  1
 11 12  2
  8  9  1
 13  1  1
  8 13  1
M  END
> <Smiles>
C1(C(O)=O)=C(C)C2=C(C=CC=C2)O1

$$$$
C1(=CC=CC=C1Cl)C(=O)NCC1=CC=CS1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.6306   -3.7038    0.0000 C   0  0  0
   -4.6710   -4.6406    0.0000 C   0  0  0
   -5.8834   -3.9406    0.0000 C   0  0  0
   -5.5923   -2.5712    0.0000 S   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  1  2  2
  1  8  1
  8  9  2
  8 10  1
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 12  1
 15 16  1
M  END
> <Smiles>
C1(=CC=CC=C1Cl)C(=O)NCC1=CC=CS1

$$$$
C1(=C(Cl)C=CC=C1Cl)CNC(C)=O
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 Cl  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 Cl  0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  2  3  1
  2  4  1
  4  5  2
  5  6  1
  7  1  1
  6  7  2
  7  8  1
  1  2  2
  1  9  1
  9 10  1
 10 11  1
 11 12  1
 11 13  2
M  END
> <Smiles>
C1(=C(Cl)C=CC=C1Cl)CNC(C)=O

$$$$
N(C(C)=O)C1C=CC(F)=CC=1F
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 F   0  0  0
  2  3  1
  2  4  2
  1  2  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  1
  8 10  2
 11  5  2
 10 11  1
 11 12  1
M  END
> <Smiles>
N(C(C)=O)C1C=CC(F)=CC=1F

$$$$
S(C)(=O)(=O)NC1=CC=C(Cl)C=C1
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 S   0  0  0
   -3.3124   -0.5124    0.0000 C   0  0  0
   -0.8876   -1.9124    0.0000 O   0  0  0
   -2.8000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  2
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
  9 11  1
 12  6  1
 11 12  2
M  END
> <Smiles>
S(C)(=O)(=O)NC1=CC=C(Cl)C=C1

$$$$
S(C)(=O)(=O)NCC1=CC=C(Cl)C=C1
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5000   -1.2124    0.0000 S   0  0  0
   -3.5000   -2.6124    0.0000 C   0  0  0
   -3.5000    0.1876    0.0000 O   0  0  0
   -4.9000   -1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 Cl  0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  2
  1  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 10 12  1
 13  7  1
 12 13  2
M  END
> <Smiles>
S(C)(=O)(=O)NCC1=CC=C(Cl)C=C1

$$$$
C(F)(F)(F)OC1=CC(C#N)=CC=C1N
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.3124   -0.5124    0.0000 F   0  0  0
   -0.8876   -1.9124    0.0000 F   0  0  0
   -2.8000   -2.4249    0.0000 F   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 C   0  0  0
    3.5000    3.6373    0.0000 N   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  1
  6  7  2
  7  8  1
  9 10  3
  8  9  1
  8 11  2
 11 12  1
 13  6  1
 12 13  2
 13 14  1
M  END
> <Smiles>
C(F)(F)(F)OC1=CC(C#N)=CC=C1N

$$$$
C(O)(CC1CCOCC1)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  1
  3  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  1
  9  4  1
  8  9  1
  1  3  1
  1 10  2
M  END
> <Smiles>
C(O)(CC1CCOCC1)=O

$$$$
C(C)(=O)OC1C=CC=C(C)C=1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 11  5  2
  9 11  1
M  END
> <Smiles>
C(C)(=O)OC1C=CC=C(C)C=1

$$$$
N1C=CC=CC=1CNC1=CC=C(OC)C=C1
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 N   0  0  0
   -0.0000   -4.8497    0.0000 C   0  0  0
    0.7000   -6.0622    0.0000 C   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -2.1000   -8.4870    0.0000 O   0  0  0
   -1.4000   -9.6995    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 C   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13 14  1
 12 13  1
 12 15  1
 16  9  1
 15 16  2
M  END
> <Smiles>
N1C=CC=CC=1CNC1=CC=C(OC)C=C1

$$$$
C1(SC=C(C)N=1)NC(C)=O
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 S   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
   -1.4000   -0.0000    0.0000 N   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  4  5  1
  6  1  2
  4  6  1
  1  2  1
  1  7  1
  7  8  1
  8  9  1
  8 10  2
M  END
> <Smiles>
C1(SC=C(C)N=1)NC(C)=O

$$$$
S1C(N)=NN=C1SCC
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 S   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 N   0  0  0
    2.1544    0.7000    0.0000 N   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 S   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
  1  2  1
  2  3  1
  2  4  2
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  1
  8  9  1
M  END
> <Smiles>
S1C(N)=NN=C1SCC

$$$$
C1C(Cl)=CC=CC=1N.Cl
  MOLSOFT 07291514422D

  9  8  0  0  0  0  0  0  0  0999 V2000
    4.2000    0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    4.2000    2.4249    0.0000 Cl  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000   -0.0000    0.0000 C   0  0  0
    6.3000   -1.2124    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.2000   -2.4249    0.0000 N   0  0  0
    1.8667    0.0000    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  2  4  2
  4  5  1
  5  6  2
  7  1  2
  6  7  1
  7  8  1
M  END
> <Smiles>
C1C(Cl)=CC=CC=1N.Cl

$$$$
N([C@H](C)C1=CC=CC=C1)C(C)=O
  MOLSOFT 07291514422D

 12 12  0  0  1  0  0  0  0  0999 V2000
   -2.1000   -1.2124    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  2
   -2.1000    1.2124    0.0000 C   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
  2  3  1  6
  2  4  1
  4  5  2
  5  6  1
  6  7  2
  7  8  1
  9  4  1
  8  9  2
  1  2  1
  1 10  1
 10 11  1
 10 12  2
M  END
> <Smiles>
N([C@H](C)C1=CC=CC=C1)C(C)=O

$$$$
N1=C(C)SC=C1C1=CC=CC=C1C#N
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.3903    2.4641    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 S   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 C   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
   -0.4750   -5.1271    0.0000 C   0  0  0
   -1.4118   -4.0867    0.0000 C   0  0  0
   -0.9791   -2.7552    0.0000 C   0  0  0
   -1.9159   -1.7148    0.0000 C   0  0  0
   -2.8527   -0.6744    0.0000 N   0  0  0
  1  2  2
  2  3  1
  2  4  1
  4  5  1
  6  1  1
  5  6  2
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 12  7  1
 11 12  2
 12 13  1
 13 14  3
M  END
> <Smiles>
N1=C(C)SC=C1C1=CC=CC=C1C#N

$$$$
N1(CCC(O)CC1)CC1C=CC=CC=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  4  6  1
  7  1  1
  6  7  1
  1  2  1
  1  8  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
M  END
> <Smiles>
N1(CCC(O)CC1)CC1C=CC=CC=1

$$$$
C(F)(F)(F)C1=CC=C(N(C)C)N=C1
  MOLSOFT 07291514422D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -1.4000   -1.4000    0.0000 F   0  0  0
   -1.4000    1.4000    0.0000 F   0  0  0
   -2.8000    0.0000    0.0000 F   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  1  5  1
  5  6  2
  6  7  1
  7  8  2
  9 10  1
  9 11  1
  8  9  1
  8 12  1
 13  5  1
 12 13  2
M  END
> <Smiles>
C(F)(F)(F)C1=CC=C(N(C)C)N=C1

$$$$
C1(C=CC=CC=1N)C(C)C
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  1  2  1
  1  8  1
  8  9  1
  8 10  1
M  END
> <Smiles>
C1(C=CC=CC=1N)C(C)C

$$$$
N1(CCCC1CO)CC1=CC=CO1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 O   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.5306   -2.4914    0.0000 C   0  0  0
   -2.5710   -3.4282    0.0000 C   0  0  0
   -3.7834   -2.7282    0.0000 C   0  0  0
   -3.4923   -1.3588    0.0000 O   0  0  0
  2  3  1
  3  4  1
  5  1  1
  4  5  1
  5  6  1
  6  7  1
  1  2  1
  1  8  1
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  9  1
 12 13  1
M  END
> <Smiles>
N1(CCCC1CO)CC1=CC=CO1

$$$$
C1(C2=CC=CN=C2)SC(CO)=C(C)N=1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 N   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 S   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    3.2870    1.5229    0.0000 C   0  0  0
    3.1407    2.9152    0.0000 O   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 N   0  0  0
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  1  2  1
  1  8  1
  8  9  1
 10 11  1
  9 10  1
  9 12  2
 12 13  1
 14  1  2
 12 14  1
M  END
> <Smiles>
C1(C2=CC=CN=C2)SC(CO)=C(C)N=1

$$$$
N(C)(C)CCOC1=CC=C(CN)C=C1
  MOLSOFT 07291514422D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -4.2000   -2.4249    0.0000 N   0  0  0
   -3.5000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    4.9000    1.2124    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  1  4  1
  4  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11 12  1
 10 11  1
 10 13  1
 14  7  1
 13 14  2
M  END
> <Smiles>
N(C)(C)CCOC1=CC=C(CN)C=C1

$$$$
C1(C(C)=O)=CC=C(N)C=C1O
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 O   0  0  0
  2  3  1
  2  4  2
  1  2  1
  1  5  2
  5  6  1
  6  7  2
  7  8  1
  7  9  1
 10  1  1
  9 10  2
 10 11  1
M  END
> <Smiles>
C1(C(C)=O)=CC=C(N)C=C1O

$$$$
C1(C=CC=CC=1CO)C1=CC=CC=C1
  MOLSOFT 07291514422D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 C   0  0  0
    0.7000   -3.6373    0.0000 O   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
  2  3  2
  3  4  1
  4  5  2
  6  1  2
  5  6  1
  6  7  1
  7  8  1
  1  2  1
  1  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
M  END
> <Smiles>
C1(C=CC=CC=1CO)C1=CC=CC=C1

$$$$
C(=O)(C1=CC=CN=C1)NC1C=CC=CC=1F
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 C   0  0  0
   -5.6000   -0.0000    0.0000 C   0  0  0
   -4.2000    0.0000    0.0000 C   0  0  0
   -3.5000    1.2124    0.0000 F   0  0  0
  1  2  2
  3  4  2
  4  5  1
  5  6  2
  6  7  1
  8  3  1
  7  8  2
  1  3  1
  1  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
 15 16  1
M  END
> <Smiles>
C(=O)(C1=CC=CN=C1)NC1C=CC=CC=1F

$$$$
C(O)(=O)C1=CC=C(C)C=C1
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  2
  5  6  1
  6  7  2
  7  8  1
  7  9  1
 10  4  1
  9 10  2
M  END
> <Smiles>
C(O)(=O)C1=CC=C(C)C=C1

$$$$
N(C1CCOCC1)C1CCOCC1
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 N   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 O   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 C   0  0  0
   -1.4000   -2.4249    0.0000 C   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -3.5000   -3.6373    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  7  2  1
  6  7  1
  1  2  1
  1  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  1
 13  8  1
 12 13  1
M  END
> <Smiles>
N(C1CCOCC1)C1CCOCC1

$$$$
N1C2C=CC=CC=2N(C)C=1COC
  MOLSOFT 07291514422D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 N   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 N   0  0  0
    3.2870   -1.5229    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 C   0  0  0
    0.3903   -2.4641    0.0000 C   0  0  0
    1.3271   -3.5045    0.0000 O   0  0  0
    0.8944   -4.8360    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  2  2
  6  7  1
  7  8  1
  8  9  1
 10  1  2
  8 10  1
 10 11  1
 11 12  1
 12 13  1
M  END
> <Smiles>
N1C2C=CC=CC=2N(C)C=1COC

$$$$
C1(Cl)=C(OC)C=CC(N)=C1
  MOLSOFT 07291514422D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 Cl  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 O   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  4  5  1
  3  4  1
  3  6  1
  6  7  2
  7  8  1
  8  9  1
 10  1  1
  8 10  2
M  END
> <Smiles>
C1(Cl)=C(OC)C=CC(N)=C1

$$$$
C1(C=CC(F)=CC=1)N
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 F   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
  2  3  2
  3  4  1
  4  5  1
  4  6  2
  7  1  2
  6  7  1
  1  2  1
  1  8  1
M  END
> <Smiles>
C1(C=CC(F)=CC=1)N

$$$$
C12C=CC=NC1=CC=CC=2N
  MOLSOFT 07291514422D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
    0.0000    2.4249    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  1  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10  1  2
  9 10  1
 10 11  1
M  END
> <Smiles>
C12C=CC=NC1=CC=CC=2N

$$$$
C(O)(=O)C1C=CC(OCC2=CC=CC=C2)=CC=1
  MOLSOFT 07291514422D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 C   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
    8.4000    0.0000    0.0000 C   0  0  0
    7.0000    0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  1
  5  6  2
  6  7  1
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
  7  8  1
  7 16  2
 17  4  2
 16 17  1
M  END
> <Smiles>
C(O)(=O)C1C=CC(OCC2=CC=CC=C2)=CC=1

$$$$
C1(C2=CC=CC=C2)CCN(CCCC(O)=O)CC=1.Cl
  MOLSOFT 07291514422D

 19 19  0  0  0  0  0  0  0  0999 V2000
    8.4000   -1.2124    0.0000 C   0  0  0
    7.0000   -1.2124    0.0000 C   0  0  0
    6.3000   -2.4249    0.0000 C   0  0  0
    4.9000   -2.4249    0.0000 C   0  0  0
    4.2000   -1.2124    0.0000 C   0  0  0
    4.9000    0.0000    0.0000 C   0  0  0
    6.3000    0.0000    0.0000 C   0  0  0
    9.1000    0.0000    0.0000 C   0  0  0
   10.5000    0.0000    0.0000 C   0  0  0
   11.2000   -1.2124    0.0000 N   0  0  0
   12.6000   -1.2124    0.0000 C   0  0  0
   13.3000    0.0000    0.0000 C   0  0  0
   14.7000    0.0000    0.0000 C   0  0  0
   15.4000    1.2124    0.0000 C   0  0  0
   14.7000    2.4249    0.0000 O   0  0  0
   16.8000    1.2124    0.0000 O   0  0  0
   10.5000   -2.4249    0.0000 C   0  0  0
    9.1000   -2.4249    0.0000 C   0  0  0
    1.8667    0.0000    0.0000 Cl  0  0  0
  2  3  2
  3  4  1
  4  5  2
  5  6  1
  7  2  1
  6  7  2
  1  2  1
  1  8  1
  8  9  1
  9 10  1
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 14 16  2
 10 11  1
 10 17  1
 18  1  2
 17 18  1
M  END
> <Smiles>
C1(C2=CC=CC=C2)CCN(CCCC(O)=O)CC=1.Cl

$$$$
C1(=CC=CS1)C(NCCC1C=CN=CC=1)=O
  MOLSOFT 07291514422D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0000    0.0000 C   0  0  0
    0.8229    1.1326    0.0000 C   0  0  0
    2.1544    0.7000    0.0000 C   0  0  0
    2.1544   -0.7000    0.0000 C   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 N   0  0  0
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.2000   -2.4249    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -6.3000   -3.6373    0.0000 C   0  0  0
   -7.7000   -3.6373    0.0000 C   0  0  0
   -8.4000   -2.4249    0.0000 N   0  0  0
   -7.7000   -1.2124    0.0000 C   0  0  0
   -6.3000   -1.2124    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
  2  3  1
  3  4  2
  5  1  1
  4  5  1
  1  2  2
  1  6  1
  7  8  1
  8  9  1
  9 10  1
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 15 10  2
 14 15  1
  6  7  1
  6 16  2
M  END
> <Smiles>
C1(=CC=CS1)C(NCCC1C=CN=CC=1)=O

$$$$
C1(Cl)=C(Cl)C=CC(NC(C)=O)=C1
  MOLSOFT 07291514422D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 Cl  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 Cl  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 N   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
    4.9000   -1.2124    0.0000 C   0  0  0
    4.9000   -3.6373    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  3  4  1
  3  5  1
  5  6  2
  6  7  1
  8  9  1
  9 10  1
  9 11  2
  7  8  1
 12  1  1
  7 12  2
M  END
> <Smiles>
C1(Cl)=C(Cl)C=CC(NC(C)=O)=C1

$$$$
C(O)(=O)C1=CC=C(NC)C=C1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 O   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 N   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  2
  5  6  1
  6  7  2
  8  9  1
  7  8  1
  7 10  1
 11  4  1
 10 11  2
M  END
> <Smiles>
C(O)(=O)C1=CC=C(NC)C=C1

$$$$
C1(N)C(F)=CC=C(Cl)C=1
  MOLSOFT 07291514422D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0
   -1.4000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
   -0.0000    2.4249    0.0000 F   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  1
  3  4  1
  3  5  2
  5  6  1
  6  7  2
  7  8  1
  9  1  2
  7  9  1
M  END
> <Smiles>
C1(N)C(F)=CC=C(Cl)C=1

$$$$
N1=CC(F)=CC=C1N
  MOLSOFT 07291514422D

  8  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
   -0.0000   -2.4249    0.0000 N   0  0  0
  1  2  2
  2  3  1
  3  4  1
  3  5  2
  5  6  1
  7  1  1
  6  7  2
  7  8  1
M  END
> <Smiles>
N1=CC(F)=CC=C1N

$$$$
C(C)(=O)C1=CC=C(OC)C=C1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.4000    0.0000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -2.1000   -1.2124    0.0000 O   0  0  0
    0.0000    0.0000    0.0000 C   0  0  0
    0.7000    1.2124    0.0000 C   0  0  0
    2.1000    1.2124    0.0000 C   0  0  0
    2.8000   -0.0000    0.0000 C   0  0  0
    4.2000   -0.0000    0.0000 O   0  0  0
    4.9000    1.2124    0.0000 C   0  0  0
    2.1000   -1.2124    0.0000 C   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  1  2  1
  1  3  2
  1  4  1
  4  5  2
  5  6  1
  6  7  2
  8  9  1
  7  8  1
  7 10  1
 11  4  1
 10 11  2
M  END
> <Smiles>
C(C)(=O)C1=CC=C(OC)C=C1

$$$$
CC1=C(NC(N)=S)C=CC=C1
  MOLSOFT 07291514422D

 11 11  0  0  0  0  0  0  0  0999 V2000
   16.3427   -6.8414    0.0000 C   0  0  0
   15.1303   -6.1414    0.0000 C   0  0  0
   15.1303   -4.7414    0.0000 C   0  0  0
   16.3427   -4.0414    0.0000 C   0  0  0
   17.5551   -4.7414    0.0000 C   0  0  0
   17.5551   -6.1414    0.0000 C   0  0  0
   16.3427   -2.6414    0.0000 C   0  0  0
   18.7676   -4.0414    0.0000 N   0  0  0
   19.9800   -4.7414    0.0000 C   0  0  0
   21.1925   -4.0414    0.0000 N   0  0  0
   19.9800   -6.1414    0.0000 S   0  0  0
  1  2  2
  2  3  1
  3  4  2
  4  5  1
  6  1  1
  5  6  2
  4  7  1
  5  8  1
  8  9  1
  9 10  1
  9 11  2
M  END
> <Smiles>
CC1=C(NC(N)=S)C=CC=C1

$$$$
