C20H15N3O5
  MOLSOFT 06241911512D

 28 30  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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    6.0622    0.0000 C   0  0  0
   -5.6000    7.2746    0.0000 C   0  0  0
   -4.2000    7.2746    0.0000 C   0  0  0
   -3.5000    6.0622    0.0000 C   0  0  0
   -2.1000    6.0622    0.0000 N   0  3  0
   -1.4000    4.8497    0.0000 O   0  5  0
   -1.4000    7.2746    0.0000 O   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2  3
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 16 17  1
 17 18  1
 17 19  2
  6  7  1
  6 20  2
 20 21  1
 21 22  2
 22 23  1
 23 24  2
 24 25  1
 26 21  1
 25 26  2
 27  5  1
 26 27  1
 27 28  2
M  CHG  2  17   1  18  -1
M  END
> <idnumber>
Z1436757091

> <smiles>
C(C(O)=O)N1C(C=CC=Cc2ccccc2[N+]([O-])=O)=Nc2ccccc2C1=O

> <CO>
1

> <ord>
1

> <cl>
1

$$$$
C19H15N3O5
  MOLSOFT 06241911512D

 27 29  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    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    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 N   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 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    9.1000   -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 N   0  3  0
   -1.4000   -2.4249    0.0000 O   0  5  0
    0.7000   -3.6373    0.0000 O   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  7  2  3
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 17  8  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  5  6  1
  5 23  1
 24  2  1
 23 24  2
 24 25  1
 25 26  1
 25 27  2
M  CHG  2  25   1  26  -1
M  END
> <idnumber>
Z1436757578

> <smiles>
Cc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1[N+]([O-])=O

> <CO>
27

> <ord>
2

> <cl>
1

$$$$
C17H12ClN3O3
  MOLSOFT 06241911512D

 24 26  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 N   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -4.2000    7.2746    0.0000 Cl  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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
  6  7  1
  6 16  2
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 20 21  1
 22 17  1
 21 22  2
 23  5  1
 22 23  1
 23 24  2
M  END
> <idnumber>
Z1436757132

> <smiles>
C(C(O)=O)N1C(C=Cc2ccc(nc2)[Cl])=Nc2ccccc2C1=O

> <CO>
4

> <ord>
3

> <cl>
1

$$$$
C18H13ClN2O3
  MOLSOFT 06241911512D

 24 26  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -1.4000    7.2746    0.0000 Cl  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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
  6  7  1
  6 16  2
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 20 21  1
 22 17  1
 21 22  2
 23  5  1
 22 23  1
 23 24  2
M  END
> <idnumber>
Z1436757541

> <smiles>
C(C(O)=O)N1C(C=Cc2cccc(c2)[Cl])=Nc2ccccc2C1=O

> <CO>
23

> <ord>
4

> <cl>
1

$$$$
C18H13ClN2O3
  MOLSOFT 06241911512D

 24 26  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -4.2000    7.2746    0.0000 Cl  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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
  6  7  1
  6 16  2
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 20 21  1
 22 17  1
 21 22  2
 23  5  1
 22 23  1
 23 24  2
M  END
> <idnumber>
Z1436758265

> <smiles>
C(C(O)=O)N1C(C=Cc2ccc(cc2)[Cl])=Nc2ccccc2C1=O

> <CO>
65

> <ord>
5

> <cl>
1

$$$$
C18H13ClN2O3
  MOLSOFT 06241911512D

 24 26  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
    0.0000    4.8497    0.0000 Cl  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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
  6  7  1
  6 16  2
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 20 21  1
 22 17  1
 21 22  2
 23  5  1
 22 23  1
 23 24  2
M  END
> <idnumber>
Z1436757915

> <smiles>
C(C(O)=O)N1C(C=Cc2ccccc2[Cl])=Nc2ccccc2C1=O

> <CO>
48

> <ord>
6

> <cl>
1

$$$$
C18H13FN2O3
  MOLSOFT 06241911512D

 24 26  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -1.4000    7.2746    0.0000 F   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
  6  7  1
  6 16  2
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 20 21  1
 22 17  1
 21 22  2
 23  5  1
 22 23  1
 23 24  2
M  END
> <idnumber>
Z1436757354

> <smiles>
C(C(O)=O)N1C(C=Cc2cccc(c2)F)=Nc2ccccc2C1=O

> <CO>
15

> <ord>
7

> <cl>
1

$$$$
C18H13FN2O3
  MOLSOFT 06241911512D

 24 26  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -4.2000    7.2746    0.0000 F   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
  6  7  1
  6 16  2
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 20 21  1
 22 17  1
 21 22  2
 23  5  1
 22 23  1
 23 24  2
M  END
> <idnumber>
Z1436758268

> <smiles>
C(C(O)=O)N1C(C=Cc2ccc(cc2)F)=Nc2ccccc2C1=O

> <CO>
66

> <ord>
8

> <cl>
1

$$$$
C19H15FN2O3
  MOLSOFT 06241911512D

 25 27  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
   -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
    0.7000   -6.0622    0.0000 N   0  0  0
    0.0000   -7.2746    0.0000 C   0  0  0
    0.7000   -8.4870    0.0000 C   0  0  0
    0.0000   -9.6995    0.0000 C   0  0  0
   -1.4000   -9.6995    0.0000 C   0  0  0
   -2.1000   -8.4870    0.0000 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    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   -4.8497    0.0000 O   0  0  0
   -4.2000   -2.4249    0.0000 O   0  0  0
   -3.5000   -6.0622    0.0000 O   0  0  0
    2.8000    2.4249    0.0000 F   0  0  0
  1  2  1
  2  3  2
  3  4  1
  5  6  1
  7  2  1
  6  7  2
  7  8  1
  8  9  2  3
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 19 10  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
  4  5  2
  4 25  1
M  END
> <idnumber>
Z1436757862

> <smiles>
Cc1cc(ccc1C=CC1=Nc2ccccc2C(N1CC(O)=O)=O)F

> <CO>
45

> <ord>
9

> <cl>
1

$$$$
C19H15FN2O3
  MOLSOFT 06241911512D

 25 27  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    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    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 N   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 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    9.1000   -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 F   0  0  0
  1  2  1
  2  3  2
  3  4  1
  4  5  2
  6  7  2  3
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 17  8  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  5  6  1
  5 23  1
 24  2  1
 23 24  2
 24 25  1
M  END
> <idnumber>
Z1436758052

> <smiles>
Cc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1F

> <CO>
55

> <ord>
10

> <cl>
1

$$$$
C18H11BrF2N2O3
  MOLSOFT 06241911512D

 26 28  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -0.0000    4.8497    0.0000 F   0  0  0
   -1.4000    7.2746    0.0000 Br  0  0  0
   -4.2000    2.4249    0.0000 F   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 11 12  1
 12 13  2
 14  9  2
 14 15  1
 13 14  1
 13 16  1
 10 11  2
 10 17  1
  6  7  1
  6 18  2
 18 19  1
 19 20  2
 20 21  1
 21 22  2
 22 23  1
 24 19  1
 23 24  2
 25  5  1
 24 25  1
 25 26  2
M  END
> <idnumber>
Z2111630454

> <smiles>
C(C(O)=O)N1C(C=Cc2c(ccc(c2F)[Br])F)=Nc2ccccc2C1=O

> <CO>
76

> <ord>
11

> <cl>
1

$$$$
C18H14N2O4
  MOLSOFT 06241911512D

 24 26  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -1.4000    7.2746    0.0000 O   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
  6  7  1
  6 16  2
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 20 21  1
 22 17  1
 21 22  2
 23  5  1
 22 23  1
 23 24  2
M  END
> <idnumber>
Z1436757163

> <smiles>
C(C(O)=O)N1C(C=Cc2cccc(c2)O)=Nc2ccccc2C1=O

> <CO>
6

> <ord>
12

> <cl>
1

$$$$
C19H16N2O3
  MOLSOFT 06241911512D

 24 26  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    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    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 N   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 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    9.1000   -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
  2  3  1
  3  4  2
  4  5  1
  6  7  2  3
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 17  8  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  5  6  1
  5 23  2
 24  2  2
 23 24  1
M  END
> <idnumber>
Z1436757547

> <smiles>
Cc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1

> <CO>
24

> <ord>
13

> <cl>
1

$$$$
C20H18N2O3
  MOLSOFT 06241911512D

 25 27  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    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
    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
    6.3000   -3.6373    0.0000 N   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 O   0  0  0
    4.2000   -7.2746    0.0000 O   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
  8  9  2  3
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 19 10  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
  7  8  1
 25  2  2
  7 25  1
M  END
> <idnumber>
Z1436757850

> <smiles>
Cc1cc(C)cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1

> <CO>
42

> <ord>
14

> <cl>
1

$$$$
C19H13N3O3
  MOLSOFT 06241911512D

 25 27  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    7.2746    0.0000 C   0  0  0
   -0.7000    8.4870    0.0000 N   0  0  0
   -1.4000    4.8497    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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14 15  3
 13 14  1
 16  9  2
 13 16  1
  6  7  1
  6 17  2
 17 18  1
 18 19  2
 19 20  1
 20 21  2
 21 22  1
 23 18  1
 22 23  2
 24  5  1
 23 24  1
 24 25  2
M  END
> <idnumber>
Z1436757622

> <smiles>
C(C(O)=O)N1C(C=Cc2cccc(C#N)c2)=Nc2ccccc2C1=O

> <CO>
29

> <ord>
15

> <cl>
1

$$$$
C20H18N2O4
  MOLSOFT 06241911512D

 26 28  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 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
    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
    6.3000   -3.6373    0.0000 N   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 O   0  0  0
    4.2000   -7.2746    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
  5  6  2
  6  7  1
  7  8  2
  9 10  2  3
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 18 13  1
 17 18  2
 18 19  1
 20 11  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
  8  9  1
 26  4  2
  8 26  1
M  END
> <idnumber>
Z1436758246

> <smiles>
COCc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1

> <CO>
64

> <ord>
16

> <cl>
1

$$$$
C20H17N3O4
  MOLSOFT 06241911512D

 27 29  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
    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    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    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 N   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 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    9.1000   -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
   -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
  8  9  2  3
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 19 10  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
  7  8  1
  7 25  2
 26  4  2
 25 26  1
  2  3  1
  2 27  2
M  END
> <idnumber>
Z1436757531

> <smiles>
CC(Nc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1)=O

> <CO>
22

> <ord>
17

> <cl>
1

$$$$
C20H16N2O4
  MOLSOFT 06241911512D

 26 29  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -3.9326    7.3937    0.0000 C   0  0  0
   -2.8000    8.2166    0.0000 O   0  0  0
   -1.6674    7.3937    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
    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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  1
 13 14  1
 14 15  1
 16 12  2
 15 16  1
 17  9  2
 16 17  1
  6  7  1
  6 18  2
 18 19  1
 19 20  2
 20 21  1
 21 22  2
 22 23  1
 24 19  1
 23 24  2
 25  5  1
 24 25  1
 25 26  2
M  END
> <idnumber>
Z1436757748

> <smiles>
C(C(O)=O)N1C(C=Cc2ccc3COCc3c2)=Nc2ccccc2C1=O

> <CO>
38

> <ord>
18

> <cl>
1

$$$$
C23H18N2O4
  MOLSOFT 06241911512D

 29 32  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
    4.2000   -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    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    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 N   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 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    9.1000   -1.2124    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
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 16 17  1
 18  9  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  6  7  1
  6 24  1
 24 25  2
 25 26  1
 26 27  2
 27 28  1
 29  3  1
 29 24  1
 28 29  2
M  END
> <idnumber>
Z1436757245

> <smiles>
COc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c2ccccc12

> <CO>
9

> <ord>
19

> <cl>
1

$$$$
C20H18N2O6
  MOLSOFT 06241911512D

 28 30  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    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 N   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    2.1000    8.4871    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    4.2000    9.6995    0.0000 C   0  0  0
    4.9000    8.4870    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 N   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 O   0  0  0
    7.0000    2.4249    0.0000 O   0  0  0
    6.3000    6.0622    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
   -0.0000   -2.4249    0.0000 O   0  0  0
    2.8000   -2.4249    0.0000 O   0  0  0
    4.2000   -2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  2  3
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 17  8  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  5  6  1
  5 23  1
 23 24  2
 25  3  2
 25 26  1
 24 25  1
 24 27  1
 27 28  1
M  END
> <idnumber>
Z1436757761

> <smiles>
COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc(c1O)OC

> <CO>
39

> <ord>
20

> <cl>
1

$$$$
C19H16N2O4
  MOLSOFT 06241911512D

 25 27  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
    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
    6.3000   -3.6373    0.0000 N   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 O   0  0  0
    4.2000   -7.2746    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  2
  5  6  1
  6  7  2
  8  9  2  3
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 19 10  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
  7  8  1
 25  3  2
  7 25  1
M  END
> <idnumber>
Z1436757917

> <smiles>
COc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1

> <CO>
49

> <ord>
21

> <cl>
1

$$$$
C19H15BrN2O5
  MOLSOFT 06241911512D

 27 29  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    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 N   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    2.1000    8.4871    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    4.2000    9.6995    0.0000 C   0  0  0
    4.9000    8.4870    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 N   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 O   0  0  0
    7.0000    2.4249    0.0000 O   0  0  0
    6.3000    6.0622    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
   -0.0000   -2.4249    0.0000 O   0  0  0
    4.2000   -0.0000    0.0000 Br  0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  7  2  3
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 17  8  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  5  6  1
  5 23  2
 25  3  1
 24 25  2
 25 26  1
 23 24  1
 23 27  1
M  END
> <idnumber>
Z1436758017

> <smiles>
COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c(cc1O)[Br]

> <CO>
52

> <ord>
22

> <cl>
1

$$$$
C19H14F2N2O4
  MOLSOFT 06241911512D

 27 29  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -4.2000    7.2746    0.0000 O   0  0  0
   -5.6000    7.2746    0.0000 C   0  0  0
   -6.3000    6.0622    0.0000 F   0  0  0
   -6.3000    8.4870    0.0000 F   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  1
 16 17  1
 16 18  1
  6  7  1
  6 19  2
 19 20  1
 20 21  2
 21 22  1
 22 23  2
 23 24  1
 25 20  1
 24 25  2
 26  5  1
 25 26  1
 26 27  2
M  END
> <idnumber>
Z1436758113

> <smiles>
C(C(O)=O)N1C(C=Cc2ccc(cc2)OC(F)F)=Nc2ccccc2C1=O

> <CO>
58

> <ord>
23

> <cl>
1

$$$$
C20H16F2N2O5
  MOLSOFT 06241911512D

 29 31  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    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 N   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    2.1000    8.4871    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    4.2000    9.6995    0.0000 C   0  0  0
    4.9000    8.4870    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 N   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 O   0  0  0
    7.0000    2.4249    0.0000 O   0  0  0
    6.3000    6.0622    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
   -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 F   0  0  0
   -0.0000   -4.8497    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  7  2  3
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 17  8  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  5  6  1
  5 23  2
 23 24  1
 25  3  1
 24 25  2
 25 26  1
 26 27  1
 27 28  1
 27 29  1
M  END
> <idnumber>
Z1436758131

> <smiles>
COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)ccc1OC(F)F

> <CO>
59

> <ord>
24

> <cl>
1

$$$$
C20H16F2N2O4
  MOLSOFT 06241911512D

 28 30  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
    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
    6.3000   -3.6373    0.0000 N   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 O   0  0  0
    4.2000   -7.2746    0.0000 O   0  0  0
    0.7000   -1.2124    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 F   0  0  0
    6.3000    1.2124    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 16 17  1
 18  9  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  6  7  1
 24  2  2
  6 24  1
  5  6  2
  5 25  1
 25 26  1
 26 27  1
 26 28  1
M  END
> <idnumber>
Z2111630384

> <smiles>
Cc1ccc(c(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1)OC(F)F

> <CO>
75

> <ord>
25

> <cl>
1

$$$$
C20H15N3O4
  MOLSOFT 06241911512D

 27 29  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
    4.2000   -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    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    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 N   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 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    9.1000   -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 C   0  0  0
   -0.7000   -3.6373    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 16 17  1
 18  9  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  6  7  1
  6 24  1
 25  3  1
 24 25  2
 25 26  1
 26 27  3
M  END
> <idnumber>
Z1436757886

> <smiles>
COc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1C#N

> <CO>
46

> <ord>
26

> <cl>
1

$$$$
C21H17F3N2O5
  MOLSOFT 06241911512D

 31 33  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    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 N   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    2.1000    8.4871    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    4.2000    9.6995    0.0000 C   0  0  0
    4.9000    8.4870    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 N   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 O   0  0  0
    7.0000    2.4249    0.0000 O   0  0  0
    6.3000    6.0622    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
   -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
    1.2124   -5.5497    0.0000 F   0  0  0
   -1.2124   -4.1497    0.0000 F   0  0  0
   -0.7000   -6.0622    0.0000 F   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  7  2  3
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 17  8  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  5  6  1
  5 23  2
 23 24  1
 25  3  1
 24 25  2
 25 26  1
 26 27  1
 27 28  1
 28 29  1
 28 30  1
 28 31  1
M  END
> <idnumber>
Z1436757286

> <smiles>
COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)ccc1OCC(F)(F)F

> <CO>
12

> <ord>
27

> <cl>
1

$$$$
C20H15F3N2O4
  MOLSOFT 06241911512D

 29 31  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -4.2000    7.2746    0.0000 O   0  0  0
   -5.6000    7.2746    0.0000 C   0  0  0
   -6.3000    8.4870    0.0000 C   0  0  0
   -7.5124    7.7870    0.0000 F   0  0  0
   -5.0876    9.1870    0.0000 F   0  0  0
   -7.0000    9.6995    0.0000 F   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  1
 16 17  1
 17 18  1
 17 19  1
 17 20  1
  6  7  1
  6 21  2
 21 22  1
 22 23  2
 23 24  1
 24 25  2
 25 26  1
 27 22  1
 26 27  2
 28  5  1
 27 28  1
 28 29  2
M  END
> <idnumber>
Z1436757852

> <smiles>
C(C(O)=O)N1C(C=Cc2ccc(cc2)OCC(F)(F)F)=Nc2ccccc2C1=O

> <CO>
43

> <ord>
28

> <cl>
1

$$$$
C22H20N2O5
  MOLSOFT 06241911512D

 29 31  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    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 N   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    2.1000    8.4871    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    4.2000    9.6995    0.0000 C   0  0  0
    4.9000    8.4870    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 N   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 O   0  0  0
    7.0000    2.4249    0.0000 O   0  0  0
    6.3000    6.0622    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
   -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
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  6  7  2  3
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 17  8  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  5  6  1
  5 23  2
 23 24  1
 25  3  1
 24 25  2
 25 26  1
 26 27  1
 27 28  1
 28 29  2
M  END
> <idnumber>
Z1436757561

> <smiles>
COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)ccc1OCC=C

> <CO>
25

> <ord>
29

> <cl>
1

$$$$
C23H22N2O5
  MOLSOFT 06241911512D

 30 32  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
   -4.2000   -2.4249    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    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 N   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    2.1000    8.4871    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    4.2000    9.6995    0.0000 C   0  0  0
    4.9000    8.4870    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 N   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 O   0  0  0
    7.0000    2.4249    0.0000 O   0  0  0
    6.3000    6.0622    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
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  2
  2  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  9 10  2  3
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 18 13  1
 17 18  2
 18 19  1
 20 11  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
  8  9  1
  8 26  2
 26 27  1
 28  6  1
 27 28  2
 28 29  1
 29 30  1
M  END
> <idnumber>
Z1436758351

> <smiles>
CC(=C)COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)ccc1OC

> <CO>
72

> <ord>
30

> <cl>
1

$$$$
C20H18N2O4
  MOLSOFT 06241911512D

 26 28  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 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 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 N   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 O   0  0  0
    4.2000   -7.2746    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
  5  6  2
  6  7  1
  7  8  2
  9 10  2  3
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 18 13  1
 17 18  2
 18 19  1
 20 11  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
  8  9  1
 26  4  2
  8 26  1
M  END
> <idnumber>
Z1436757654

> <smiles>
CCOc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1

> <CO>
30

> <ord>
31

> <cl>
1

$$$$
C21H20N2O4
  MOLSOFT 06241911512D

 27 29  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 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
    6.3000   -3.6373    0.0000 N   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 O   0  0  0
    4.2000   -7.2746    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
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10 11  2  3
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 17 18  1
 19 14  1
 18 19  2
 19 20  1
 21 12  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
  9 10  1
 27  5  2
  9 27  1
M  END
> <idnumber>
Z1436757836

> <smiles>
CCCOc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1

> <CO>
40

> <ord>
32

> <cl>
1

$$$$
C21H20N2O5
  MOLSOFT 06241911512D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -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 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
    6.3000   -3.6373    0.0000 N   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 O   0  0  0
    4.2000   -7.2746    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
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11 12  2  3
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 18 19  1
 20 15  1
 19 20  2
 20 21  1
 22 13  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 10 11  1
 28  6  2
 10 28  1
M  END
> <idnumber>
Z1436757656

> <smiles>
COCCOc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1

> <CO>
31

> <ord>
33

> <cl>
1

$$$$
C23H24N2O5
  MOLSOFT 06241911512D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -5.6000   -2.4249    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 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    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 N   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 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    9.1000   -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 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  1
  5  6  1
  6  7  2
  7  8  1
  8  9  2
 10 11  2  3
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 17 18  1
 19 14  1
 18 19  2
 19 20  1
 21 12  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
  9 10  1
  9 27  1
 28  6  1
 27 28  2
 28 29  1
 29 30  1
M  END
> <idnumber>
Z1436758140

> <smiles>
CCCCOc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1OC

> <CO>
60

> <ord>
34

> <cl>
1

$$$$
C22H20N2O6
  MOLSOFT 06241911512D

 30 32  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -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 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    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    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 N   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 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    9.1000   -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
   -4.2000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 11 12  2  3
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 18 19  1
 20 15  1
 19 20  2
 20 21  1
 22 13  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 10 11  1
 10 28  2
 29  7  2
 28 29  1
  4  5  1
  4 30  2
M  END
> <idnumber>
Z1436757734

> <smiles>
CCOC(COc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1)=O

> <CO>
36

> <ord>
35

> <cl>
1

$$$$
C22H19N3O4
  MOLSOFT 06241911512D

 29 31  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 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -7.0000   -2.4249    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
    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
    6.3000   -3.6373    0.0000 N   0  0  0
    7.0000   -4.8497    0.0000 C   0  0  0
    8.4000   -4.8497    0.0000 C   0  0  0
    9.1000   -6.0622    0.0000 C   0  0  0
    8.4000   -7.2746    0.0000 C   0  0  0
    7.0000   -7.2746    0.0000 C   0  0  0
    6.3000   -6.0622    0.0000 C   0  0  0
    4.9000   -6.0622    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   -6.0622    0.0000 C   0  0  0
    2.8000   -7.2746    0.0000 O   0  0  0
    0.7000   -6.0622    0.0000 O   0  0  0
    4.2000   -7.2746    0.0000 O   0  0  0
    0.7000   -1.2124    0.0000 C   0  0  0
  2  3  1
  3  4  3
  1  2  1
  1  5  1
  5  6  1
  6  7  1
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 12 13  2  3
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 17 18  1
 18 19  2
 19 20  1
 21 16  1
 20 21  2
 21 22  1
 23 14  1
 23 24  1
 24 25  1
 25 26  1
 25 27  2
 22 23  1
 22 28  2
 11 12  1
 29  7  2
 11 29  1
M  END
> <idnumber>
Z1436757289

> <smiles>
C(CC#N)COc1cccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)c1

> <CO>
13

> <ord>
36

> <cl>
1

$$$$
C21H17N3O4
  MOLSOFT 06241911512D

 28 30  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  3
   -3.5000   -1.2124    0.0000 C   0  0  0
   -4.9000   -1.2124    0.0000 N   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
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    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 N   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 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    9.1000   -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  1  1
  3  4  3
  2  3  1
  2  5  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
 10 11  2  3
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 17 18  1
 19 14  1
 18 19  2
 19 20  1
 21 12  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
  9 10  1
  9 27  2
 28  6  2
 27 28  1
M  END
> <idnumber>
Z1436757672

> <smiles>
CC(C#N)Oc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1

> <CO>
33

> <ord>
37

> <cl>
1

$$$$
C20H15N3O4
  MOLSOFT 06241911512D

 27 29  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -1.4000    7.2746    0.0000 O   0  0  0
   -2.1000    8.4870    0.0000 C   0  0  0
   -1.4000    9.6995    0.0000 C   0  0  0
   -0.7000   10.9119    0.0000 N   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
 15 16  1
 16 17  1
 17 18  3
  6  7  1
  6 19  2
 19 20  1
 20 21  2
 21 22  1
 22 23  2
 23 24  1
 25 20  1
 24 25  2
 26  5  1
 25 26  1
 26 27  2
M  END
> <idnumber>
Z1436758219

> <smiles>
C(C(O)=O)N1C(C=Cc2cccc(c2)OCC#N)=Nc2ccccc2C1=O

> <CO>
63

> <ord>
38

> <cl>
1

$$$$
C26H23N3O4
  MOLSOFT 06241911512D

 33 36  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    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 N   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    2.1000    8.4871    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    4.2000    9.6995    0.0000 C   0  0  0
    4.9000    8.4870    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 N   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 O   0  0  0
    7.0000    2.4249    0.0000 O   0  0  0
    6.3000    6.0622    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
    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 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 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -2.1000   -6.0622    0.0000 C   0  0  0
   -1.4000   -4.8497    0.0000 N   0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2  3
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
 16  7  1
 16 17  1
 17 18  1
 18 19  1
 18 20  2
 15 16  1
 15 21  2
  4  5  1
  4 22  1
 22 23  2
 23 24  1
 25  2  2
 23 25  1
 25 26  1
 26 27  1
 27 28  1
 28 29  1
 29 30  2
 30 31  1
 31 32  2
 33 28  2
 32 33  1
M  END
> <idnumber>
Z1436758324

> <smiles>
Cc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc(C)c1OCc1ccccn1

> <CO>
71

> <ord>
39

> <cl>
1

$$$$
C21H19ClN2O5
  MOLSOFT 06241911512D

 29 31  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 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 C   0  0  0
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    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 N   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 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    9.1000   -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
   -0.0000    2.4249    0.0000 O   0  0  0
   -1.4000    2.4249    0.0000 C   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  2
  8  9  2  3
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 19 10  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
  7  8  1
  7 25  1
 26  4  1
 25 26  2
 26 27  1
  5  6  1
  5 28  1
 28 29  1
M  END
> <idnumber>
Z1436757400

> <smiles>
CCOc1c(cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1[Cl])OC

> <CO>
16

> <ord>
40

> <cl>
1

$$$$
C20H17ClN2O5
  MOLSOFT 06241911512D

 28 30  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    2.4249    0.0000 C   0  0  0
    2.1000    3.6373    0.0000 C   0  0  0
    2.8000    4.8497    0.0000 C   0  0  0
    2.1000    6.0622    0.0000 N   0  0  0
    2.8000    7.2746    0.0000 C   0  0  0
    2.1000    8.4871    0.0000 C   0  0  0
    2.8000    9.6995    0.0000 C   0  0  0
    4.2000    9.6995    0.0000 C   0  0  0
    4.9000    8.4870    0.0000 C   0  0  0
    4.2000    7.2746    0.0000 C   0  0  0
    4.9000    6.0622    0.0000 C   0  0  0
    4.2000    4.8497    0.0000 N   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 O   0  0  0
    7.0000    2.4249    0.0000 O   0  0  0
    6.3000    6.0622    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
   -0.0000   -2.4249    0.0000 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
    2.8000   -2.4249    0.0000 Cl  0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  2  3
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 17  8  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  5  6  1
  5 23  1
 23 24  2
 25  3  2
 25 26  1
 26 27  1
 24 25  1
 24 28  1
M  END
> <idnumber>
Z1436758297

> <smiles>
COc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc(c1OC)[Cl]

> <CO>
67

> <ord>
41

> <cl>
1

$$$$
C23H23N3O6
  MOLSOFT 06241911512D

 32 34  0  0  0  0  0  0  0  0999 V2000
   -6.3000   -3.6373    0.0000 C   0  0  0
   -5.6000   -2.4249    0.0000 C   0  0  0
   -4.2000   -2.4249    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
   -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
    6.3000    1.2124    0.0000 C   0  0  0
    7.0000    2.4249    0.0000 N   0  0  0
    8.4000    2.4249    0.0000 C   0  0  0
    9.1000    3.6373    0.0000 C   0  0  0
   10.5000    3.6373    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 C   0  0  0
   10.5000    1.2124    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 N   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 O   0  0  0
    6.3000   -3.6373    0.0000 O   0  0  0
    9.1000   -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 O   0  0  0
    0.7000   -3.6373    0.0000 C   0  0  0
   -4.2000   -0.0000    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  5  6  1
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 11 12  2  3
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 18 19  1
 20 15  1
 19 20  2
 20 21  1
 22 13  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 10 11  1
 10 28  1
 29  7  1
 28 29  2
 29 30  1
 30 31  1
  4  5  1
  4 32  2
M  END
> <idnumber>
Z1436758299

> <smiles>
CCNC(COc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1OC)=O

> <CO>
68

> <ord>
42

> <cl>
1

$$$$
C22H16N4O4
  MOLSOFT 06241911512D

 30 33  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -4.2000    7.2746    0.0000 O   0  0  0
   -5.6000    7.2746    0.0000 C   0  0  0
   -6.3000    6.0622    0.0000 C   0  0  0
   -7.7000    6.0622    0.0000 N   0  0  0
   -8.4000    7.2746    0.0000 C   0  0  0
   -7.7000    8.4870    0.0000 C   0  0  0
   -6.3000    8.4870    0.0000 N   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 14  9  2
 13 14  1
 12 13  2
 12 15  1
 15 16  1
 16 17  1
 17 18  2
 18 19  1
 19 20  2
 21 16  2
 20 21  1
  6  7  1
  6 22  2
 22 23  1
 23 24  2
 24 25  1
 25 26  2
 26 27  1
 28 23  1
 27 28  2
 29  5  1
 28 29  1
 29 30  2
M  END
> <idnumber>
Z1436757726

> <smiles>
C(C(O)=O)N1C(C=Cc2ccc(cc2)Oc2cnccn2)=Nc2ccccc2C1=O

> <CO>
35

> <ord>
43

> <cl>
1

$$$$
C18H15N3O5
  MOLSOFT 06241911512D

 26 28  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 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
    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 C   0  0  0
    6.9776   -1.2069    0.0000 N   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    9.3891   -1.4604    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   10.3754   -3.6756    0.0000 C   0  0  0
    9.0965   -4.2451    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 N   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 O   0  0  0
    2.8480   -5.6999    0.0000 O   0  0  0
    6.5385   -5.3839    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 N   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
  8  9  2  3
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 17 12  1
 16 17  2
 17 18  1
 19 10  1
 19 20  1
 20 21  1
 21 22  1
 21 23  2
 18 19  1
 18 24  2
  7  8  1
 25  4  1
  7 25  1
  3  4  1
  3 26  2
M  END
> <idnumber>
Z1436758391

> <smiles>
COC(c1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)[nH]1)=O

> <CO>
73

> <ord>
44

> <cl>
1

$$$$
C16H11BrN2O3S
  MOLSOFT 06241911512D

 23 25  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 C   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -1.5306    4.9163    0.0000 S   0  0  0
   -5.0624    5.7225    0.0000 Br  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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 13  9  1
 12 13  1
 11 12  2
 11 14  1
  6  7  1
  6 15  2
 15 16  1
 16 17  2
 17 18  1
 18 19  2
 19 20  1
 21 16  1
 20 21  2
 22  5  1
 21 22  1
 22 23  2
M  END
> <idnumber>
Z1436757218

> <smiles>
C(C(O)=O)N1C(C=Cc2cc(cs2)[Br])=Nc2ccccc2C1=O

> <CO>
8

> <ord>
45

> <cl>
1

$$$$
C17H13BrN2O3S
  MOLSOFT 06241911512D

 24 26  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 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 C   0  0  0
    4.2733    3.7381    0.0000 C   0  0  0
    5.5522    3.1687    0.0000 N   0  0  0
    6.6849    3.9916    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
    8.9501    5.6374    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 N   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 O   0  0  0
    1.4227    7.6617    0.0000 O   0  0  0
    5.1132    7.3457    0.0000 O   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 Br  0  0  0
  1  2  1
  2  3  1
  3  4  2
  5  6  2  3
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
 16  7  1
 16 17  1
 17 18  1
 18 19  1
 18 20  2
 15 16  1
 15 21  2
  4  5  1
  4 22  1
 23  2  2
 22 23  1
 23 24  1
M  END
> <idnumber>
Z1436757912

> <smiles>
Cc1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)sc1[Br]

> <CO>
47

> <ord>
46

> <cl>
1

$$$$
C16H11BrN2O3S
  MOLSOFT 06241911512D

 23 25  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 C   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -1.5306    4.9163    0.0000 S   0  0  0
   -2.4246    7.2454    0.0000 Br  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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  9  1
 12 13  1
 12 14  1
  6  7  1
  6 15  2
 15 16  1
 16 17  2
 17 18  1
 18 19  2
 19 20  1
 21 16  1
 20 21  2
 22  5  1
 21 22  1
 22 23  2
M  END
> <idnumber>
Z1436757948

> <smiles>
C(C(O)=O)N1C(C=Cc2ccc(s2)[Br])=Nc2ccccc2C1=O

> <CO>
50

> <ord>
47

> <cl>
1

$$$$
C18H16N2O3S
  MOLSOFT 06241911512D

 24 26  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
    0.8229    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 C   0  0  0
    6.9776   -1.2069    0.0000 N   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    9.3891   -1.4604    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   10.3754   -3.6756    0.0000 C   0  0  0
    9.0965   -4.2451    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 N   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 O   0  0  0
    2.8480   -5.6999    0.0000 O   0  0  0
    6.5385   -5.3839    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  5  6  2
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 16 11  1
 15 16  2
 16 17  1
 18  9  1
 18 19  1
 19 20  1
 20 21  1
 20 22  2
 17 18  1
 17 23  2
  6  7  1
 24  3  1
  6 24  1
M  END
> <idnumber>
Z1436758049

> <smiles>
CCc1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)s1

> <CO>
54

> <ord>
48

> <cl>
1

$$$$
C17H15ClN4O3
  MOLSOFT 06241911512D

 25 27  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 N   0  0  0
   -2.5710    5.8531    0.0000 N   0  0  0
   -2.4246    7.2454    0.0000 C   0  0  0
   -3.5573    8.0683    0.0000 C   0  0  0
   -3.4109    9.4606    0.0000 Cl  0  0  0
   -1.5306    4.9163    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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 13 14  1
 14 15  1
 12 13  1
 16  9  2
 12 16  1
  6  7  1
  6 17  2
 17 18  1
 18 19  2
 19 20  1
 20 21  2
 21 22  1
 23 18  1
 22 23  2
 24  5  1
 23 24  1
 24 25  2
M  END
> <idnumber>
Z1436757099

> <smiles>
C(C(O)=O)N1C(C=Cc2cnn(CC[Cl])c2)=Nc2ccccc2C1=O

> <CO>
2

> <ord>
49

> <cl>
2

$$$$
C22H18N4O3
  MOLSOFT 06241911512D

 29 32  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 N   0  0  0
   -2.5710    5.8531    0.0000 N   0  0  0
   -2.4246    7.2454    0.0000 C   0  0  0
   -3.5573    8.0683    0.0000 C   0  0  0
   -4.8362    7.4989    0.0000 C   0  0  0
   -5.9688    8.3218    0.0000 C   0  0  0
   -5.8225    9.7141    0.0000 C   0  0  0
   -4.5435   10.2835    0.0000 C   0  0  0
   -3.4109    9.4606    0.0000 C   0  0  0
   -1.5306    4.9163    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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
 12 13  1
 20  9  2
 12 20  1
  6  7  1
  6 21  2
 21 22  1
 22 23  2
 23 24  1
 24 25  2
 25 26  1
 27 22  1
 26 27  2
 28  5  1
 27 28  1
 28 29  2
M  END
> <idnumber>
Z1436758306

> <smiles>
C(C(O)=O)N1C(C=Cc2cnn(Cc3ccccc3)c2)=Nc2ccccc2C1=O

> <CO>
69

> <ord>
50

> <cl>
2

$$$$
C21H16N4O3
  MOLSOFT 06241911512D

 28 31  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -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 C   0  0  0
   -2.1000    6.0622    0.0000 C   0  0  0
   -1.4000    4.8497    0.0000 C   0  0  0
   -1.4000    7.2746    0.0000 N   0  0  0
   -1.9694    8.5536    0.0000 C   0  0  0
   -0.9290    9.4904    0.0000 C   0  0  0
    0.2834    8.7904    0.0000 C   0  0  0
   -0.0077    7.4210    0.0000 N   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 14  9  2
 13 14  1
 13 15  1
 15 16  1
 16 17  2
 17 18  1
 19 15  1
 18 19  2
  6  7  1
  6 20  2
 20 21  1
 21 22  2
 22 23  1
 23 24  2
 24 25  1
 26 21  1
 25 26  2
 27  5  1
 26 27  1
 27 28  2
M  END
> <idnumber>
Z1436757745

> <smiles>
C(C(O)=O)N1C(C=Cc2cccc(c2)n2cccn2)=Nc2ccccc2C1=O

> <CO>
37

> <ord>
51

> <cl>
2

$$$$
C21H15FN4O3
  MOLSOFT 06241911512D

 29 32  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 C   0  0  0
   -2.5710    5.8531    0.0000 N   0  0  0
   -1.5306    4.9163    0.0000 N   0  0  0
   -0.1612    5.2073    0.0000 C   0  0  0
    0.2715    6.5388    0.0000 C   0  0  0
    1.6409    6.8299    0.0000 C   0  0  0
    2.5777    5.7895    0.0000 C   0  0  0
    2.1450    4.4580    0.0000 C   0  0  0
    0.7756    4.1669    0.0000 C   0  0  0
    3.9471    6.0806    0.0000 F   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13  9  1
 12 13  1
 13 14  1
 14 15  1
 15 16  2
 16 17  1
 19 14  2
 18 19  1
 17 18  2
 17 20  1
  6  7  1
  6 21  2
 21 22  1
 22 23  2
 23 24  1
 24 25  2
 25 26  1
 27 22  1
 26 27  2
 28  5  1
 27 28  1
 28 29  2
M  END
> <idnumber>
Z2111630298

> <smiles>
C(C(O)=O)N1C(C=Cc2ccnn2c2ccc(cc2)F)=Nc2ccccc2C1=O

> <CO>
74

> <ord>
52

> <cl>
2

$$$$
C16H14N4O3
  MOLSOFT 06241911512D

 23 25  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 C   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 N   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -4.5832    6.0003    0.0000 C   0  0  0
   -5.0158    7.3318    0.0000 C   0  0  0
   -4.0790    8.3722    0.0000 C   0  0  0
   -2.7096    8.0811    0.0000 C   0  0  0
   -2.2770    6.7496    0.0000 C   0  0  0
   -0.9076    6.4585    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 N   0  0  0
    0.8944    4.8360    0.0000 C   0  0  0
    1.8312    5.8764    0.0000 C   0  0  0
    1.3986    7.2079    0.0000 O   0  0  0
    3.2006    5.5853    0.0000 O   0  0  0
    0.0292    7.4989    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 N   0  0  0
  1  2  1
  2  3  1
  4  5  2  3
  5  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  8  1
 12 13  2
 13 14  1
 15  6  1
 15 16  1
 16 17  1
 17 18  1
 17 19  2
 14 15  1
 14 20  2
  3  4  1
  3 21  2
 21 22  1
 23  2  1
 22 23  2
M  END
> <idnumber>
Z1436758183

> <smiles>
Cn1c(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)ccn1

> <CO>
61

> <ord>
53

> <cl>
2

$$$$
C15H13N5O3
  MOLSOFT 06241911512D

 23 25  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 C   0  0  0
   -0.9791    2.7552    0.0000 C   0  0  0
   -1.4118    4.0867    0.0000 C   0  0  0
   -2.7812    4.3777    0.0000 N   0  0  0
   -3.2138    5.7092    0.0000 C   0  0  0
   -4.5832    6.0003    0.0000 C   0  0  0
   -5.0158    7.3318    0.0000 C   0  0  0
   -4.0790    8.3722    0.0000 C   0  0  0
   -2.7096    8.0811    0.0000 C   0  0  0
   -2.2770    6.7496    0.0000 C   0  0  0
   -0.9076    6.4585    0.0000 C   0  0  0
   -0.4750    5.1271    0.0000 N   0  0  0
    0.8944    4.8360    0.0000 C   0  0  0
    1.8312    5.8764    0.0000 C   0  0  0
    1.3986    7.2079    0.0000 O   0  0  0
    3.2006    5.5853    0.0000 O   0  0  0
    0.0292    7.4989    0.0000 O   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
  1  2  1
  2  3  1
  4  5  2  3
  5  6  1
  6  7  2
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 13  8  1
 12 13  2
 13 14  1
 15  6  1
 15 16  1
 16 17  1
 17 18  1
 17 19  2
 14 15  1
 14 20  2
  3  4  1
  3 21  2
 21 22  1
 23  2  1
 22 23  2
M  END
> <idnumber>
Z1436757513

> <smiles>
Cn1c(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cnn1

> <CO>
21

> <ord>
54

> <cl>
2

$$$$
C15H13N5O3
  MOLSOFT 06241911512D

 23 25  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
    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 N   0  0  0
    6.6849    3.9916    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
    8.9501    5.6374    0.0000 C   0  0  0
    7.6712    6.2068    0.0000 C   0  0  0
    6.5385    5.3839    0.0000 C   0  0  0
    5.2596    5.9534    0.0000 C   0  0  0
    4.1269    5.1305    0.0000 N   0  0  0
    2.8480    5.6999    0.0000 C   0  0  0
    2.7016    7.0922    0.0000 C   0  0  0
    3.8343    7.9151    0.0000 O   0  0  0
    1.4227    7.6617    0.0000 O   0  0  0
    5.1132    7.3457    0.0000 O   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
  2  3  1
  3  4  2
  5  6  2  3
  6  7  1
  7  8  2
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 12 13  1
 14  9  1
 13 14  2
 14 15  1
 16  7  1
 16 17  1
 17 18  1
 18 19  1
 18 20  2
 15 16  1
 15 21  2
  4  5  1
  4 22  1
 23  2  1
 22 23  2
M  END
> <idnumber>
Z1436758067

> <smiles>
Cn1cc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)nn1

> <CO>
56

> <ord>
55

> <cl>
2

$$$$
C20H15N5O3
  MOLSOFT 06241911512D

 28 31  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 N   0  0  0
   -5.0624    5.7225    0.0000 C   0  0  0
   -6.1950    4.8996    0.0000 C   0  0  0
   -7.4740    5.4690    0.0000 C   0  0  0
   -7.6203    6.8613    0.0000 C   0  0  0
   -6.4877    7.6842    0.0000 C   0  0  0
   -5.2087    7.1148    0.0000 C   0  0  0
   -2.5710    5.8531    0.0000 N   0  0  0
   -1.5306    4.9163    0.0000 N   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 17 12  2
 16 17  1
 11 12  1
 11 18  1
 19  9  1
 18 19  2
  6  7  1
  6 20  2
 20 21  1
 21 22  2
 22 23  1
 23 24  2
 24 25  1
 26 21  1
 25 26  2
 27  5  1
 26 27  1
 27 28  2
M  END
> <idnumber>
Z1436757668

> <smiles>
C(C(O)=O)N1C(C=Cc2cn(c3ccccc3)nn2)=Nc2ccccc2C1=O

> <CO>
32

> <ord>
56

> <cl>
2

$$$$
C22H15N3O6
  MOLSOFT 06241911512D

 31 34  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 C   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -2.4246    7.2454    0.0000 C   0  0  0
   -3.5573    8.0683    0.0000 C   0  0  0
   -3.4109    9.4606    0.0000 C   0  0  0
   -2.1320   10.0300    0.0000 C   0  0  0
   -0.9993    9.2071    0.0000 C   0  0  0
   -1.1457    7.8148    0.0000 C   0  0  0
    0.2796    9.7766    0.0000 N   0  3  0
    1.4123    8.9537    0.0000 O   0  5  0
    0.4260   11.1689    0.0000 O   0  0  0
   -1.5306    4.9163    0.0000 O   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 17 19  1
 19 20  1
 19 21  2
 12 13  1
 22  9  1
 12 22  1
  6  7  1
  6 23  2
 23 24  1
 24 25  2
 25 26  1
 26 27  2
 27 28  1
 29 24  1
 28 29  2
 30  5  1
 29 30  1
 30 31  2
M  CHG  2  19   1  20  -1
M  END
> <idnumber>
Z1436757200

> <smiles>
C(C(O)=O)N1C(C=Cc2ccc(c3cccc(c3)[N+]([O-])=O)o2)=Nc2ccccc2C1=O

> <CO>
7

> <ord>
57

> <cl>
3

$$$$
C22H15N3O6
  MOLSOFT 06241911512D

 31 34  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 C   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -2.4246    7.2454    0.0000 C   0  0  0
   -3.5573    8.0683    0.0000 C   0  0  0
   -3.4109    9.4606    0.0000 C   0  0  0
   -2.1320   10.0300    0.0000 C   0  0  0
   -0.9993    9.2071    0.0000 C   0  0  0
   -1.1457    7.8148    0.0000 C   0  0  0
   -0.0130    6.9919    0.0000 N   0  3  0
   -0.1594    5.5996    0.0000 O   0  5  0
    1.2659    7.5613    0.0000 O   0  0  0
   -1.5306    4.9163    0.0000 O   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 18 13  1
 17 18  2
 18 19  1
 19 20  1
 19 21  2
 12 13  1
 22  9  1
 12 22  1
  6  7  1
  6 23  2
 23 24  1
 24 25  2
 25 26  1
 26 27  2
 27 28  1
 29 24  1
 28 29  2
 30  5  1
 29 30  1
 30 31  2
M  CHG  2  19   1  20  -1
M  END
> <idnumber>
Z1436757415

> <smiles>
C(C(O)=O)N1C(C=Cc2ccc(c3ccccc3[N+]([O-])=O)o2)=Nc2ccccc2C1=O

> <CO>
17

> <ord>
58

> <cl>
3

$$$$
C23H22N4O5
  MOLSOFT 06241911512D

 32 35  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 N   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 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 C   0  0  0
    9.1000    1.2124    0.0000 C   0  0  0
   10.5000    1.2124    0.0000 C   0  0  0
   11.2000    2.4249    0.0000 N   0  0  0
   12.6000    2.4249    0.0000 C   0  0  0
   13.3000    3.6373    0.0000 C   0  0  0
   14.7000    3.6373    0.0000 C   0  0  0
   15.4000    2.4249    0.0000 C   0  0  0
   14.7000    1.2124    0.0000 C   0  0  0
   13.3000    1.2124    0.0000 C   0  0  0
   12.6000    0.0000    0.0000 C   0  0  0
   11.2000    0.0000    0.0000 N   0  0  0
   10.5000   -1.2124    0.0000 C   0  0  0
   11.2000   -2.4249    0.0000 C   0  0  0
   12.6000   -2.4249    0.0000 O   0  0  0
   10.5000   -3.6373    0.0000 O   0  0  0
   13.3000   -1.2124    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
    4.2000   -2.4249    0.0000 N   0  3  0
    2.8000   -2.4249    0.0000 O   0  5  0
    4.9000   -3.6373    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  1
  6  1  1
  5  6  1
  4  5  1
  4  7  1
  7  8  2
  8  9  1
  9 10  2
 11 12  2  3
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 18 19  1
 20 15  1
 19 20  2
 20 21  1
 22 13  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 10 11  1
 10 28  1
 29  7  1
 28 29  2
 29 30  1
 30 31  1
 30 32  2
M  CHG  2  30   1  31  -1
M  END
> <idnumber>
Z1436757566

> <smiles>
C1CCN(CC1)c1ccc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cc1[N+]([O-])=O

> <CO>
26

> <ord>
59

> <cl>
4

$$$$
C20H18N4O4S
  MOLSOFT 06241911512D

 29 32  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
    1.2124    0.7000    0.0000 C   0  0  0
    1.2124   -0.7000    0.0000 C   0  0  0
   -2.1000    1.2124    0.0000 C   0  0  0
   -3.4923    1.3588    0.0000 N   0  0  0
   -3.7834    2.7282    0.0000 C   0  0  0
   -5.0624    3.2976    0.0000 C   0  0  0
   -6.1950    2.4747    0.0000 C   0  0  0
   -7.4740    3.0441    0.0000 C   0  0  0
   -8.6066    2.2212    0.0000 N   0  0  0
   -9.8855    2.7907    0.0000 C   0  0  0
  -11.0182    1.9678    0.0000 C   0  0  0
  -12.2971    2.5372    0.0000 C   0  0  0
  -12.4435    3.9295    0.0000 C   0  0  0
  -11.3108    4.7524    0.0000 C   0  0  0
  -10.0319    4.1830    0.0000 C   0  0  0
   -8.8993    5.0059    0.0000 C   0  0  0
   -7.6203    4.4365    0.0000 N   0  0  0
   -6.4877    5.2594    0.0000 C   0  0  0
   -6.6340    6.6517    0.0000 C   0  0  0
   -7.9130    7.2211    0.0000 O   0  0  0
   -5.5014    7.4746    0.0000 O   0  0  0
   -9.0456    6.3982    0.0000 O   0  0  0
   -2.5710    3.4282    0.0000 C   0  0  0
   -1.5306    2.4914    0.0000 S   0  0  0
   -3.5000   -1.2124    0.0000 O   0  0  0
  1  2  1
  4  5  1
  6  4  1
  5  6  1
  3  4  1
  3  7  1
  7  8  2
  8  9  1
 10 11  2  3
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 17 18  1
 19 14  1
 18 19  2
 19 20  1
 21 12  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
  9 10  1
  9 27  2
 28  7  1
 27 28  1
  2  3  1
  2 29  2
M  END
> <idnumber>
Z1436757115

> <smiles>
CC(N(C1CC1)c1nc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cs1)=O

> <CO>
3

> <ord>
60

> <cl>
5

$$$$
C19H18N4O4S
  MOLSOFT 06241911512D

 28 30  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 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
   -3.5000    3.6373    0.0000 O   0  0  0
   -0.0000    2.4249    0.0000 C   0  0  0
    0.8229    1.2922    0.0000 N   0  0  0
    2.1544    1.7249    0.0000 C   0  0  0
    3.2870    0.9020    0.0000 C   0  0  0
    3.1407   -0.4904    0.0000 C   0  0  0
    4.2733   -1.3133    0.0000 C   0  0  0
    4.1269   -2.7056    0.0000 N   0  0  0
    5.2596   -3.5285    0.0000 C   0  0  0
    5.1132   -4.9208    0.0000 C   0  0  0
    6.2459   -5.7437    0.0000 C   0  0  0
    7.5248   -5.1743    0.0000 C   0  0  0
    7.6712   -3.7820    0.0000 C   0  0  0
    6.5385   -2.9591    0.0000 C   0  0  0
    6.6849   -1.5667    0.0000 C   0  0  0
    5.5522   -0.7438    0.0000 N   0  0  0
    5.6986    0.6485    0.0000 C   0  0  0
    6.9776    1.2179    0.0000 C   0  0  0
    8.1102    0.3950    0.0000 O   0  0  0
    7.1239    2.6103    0.0000 O   0  0  0
    7.9638   -0.9973    0.0000 O   0  0  0
    2.1544    3.1249    0.0000 C   0  0  0
    0.8229    3.5575    0.0000 S   0  0  0
  1  2  1
  2  3  1
  4  5  1
  4  6  2
  3  4  1
  3  7  1
  7  8  2
  8  9  1
 10 11  2  3
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 17 18  1
 19 14  1
 18 19  2
 19 20  1
 21 12  1
 21 22  1
 22 23  1
 23 24  1
 23 25  2
 20 21  1
 20 26  2
  9 10  1
  9 27  2
 28  7  1
 27 28  1
M  END
> <idnumber>
Z1436758310

> <smiles>
CCN(C(C)=O)c1nc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cs1

> <CO>
70

> <ord>
61

> <cl>
5

$$$$
C20H19N5O4
  MOLSOFT 06241911512D

 29 32  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 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
    0.7000   -3.6373    0.0000 N   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 C   0  0  0
   -1.4000   -7.2746    0.0000 C   0  0  0
   -2.1000   -8.4870    0.0000 C   0  0  0
   -1.4000   -9.6995    0.0000 N   0  0  0
   -2.1000  -10.9119    0.0000 C   0  0  0
   -1.4000  -12.1244    0.0000 C   0  0  0
   -2.1000  -13.3368    0.0000 C   0  0  0
   -3.5000  -13.3368    0.0000 C   0  0  0
   -4.2000  -12.1244    0.0000 C   0  0  0
   -3.5000  -10.9119    0.0000 C   0  0  0
   -4.2000   -9.6995    0.0000 C   0  0  0
   -3.5000   -8.4870    0.0000 N   0  0  0
   -4.2000   -7.2746    0.0000 C   0  0  0
   -5.6000   -7.2746    0.0000 C   0  0  0
   -6.3000   -8.4871    0.0000 O   0  0  0
   -6.3000   -6.0622    0.0000 O   0  0  0
   -5.6000   -9.6995    0.0000 O   0  0  0
   -2.1000   -3.6373    0.0000 C   0  0  0
   -1.4000   -2.4249    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  1
  7  8  1
  8  9  2
  9 10  1
 11 12  2  3
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 18 19  1
 20 15  1
 19 20  2
 20 21  1
 22 13  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 10 11  1
 10 28  2
 29  7  2
 28 29  1
M  END
> <idnumber>
Z1436757449

> <smiles>
C1COCCN1c1ncc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cn1

> <CO>
19

> <ord>
62

> <cl>
6

$$$$
C19H13N3O3S2
  MOLSOFT 06241911512D

 27 30  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 N   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -2.4246    7.2454    0.0000 C   0  0  0
   -3.4650    8.1822    0.0000 C   0  0  0
   -2.8956    9.4611    0.0000 C   0  0  0
   -1.5033    9.3148    0.0000 S   0  0  0
   -1.2122    7.9454    0.0000 C   0  0  0
   -1.5306    4.9163    0.0000 S   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13 14  1
 14 15  2
 15 16  1
 17 13  2
 16 17  1
 12 13  1
 18  9  1
 12 18  1
  6  7  1
  6 19  2
 19 20  1
 20 21  2
 21 22  1
 22 23  2
 23 24  1
 25 20  1
 24 25  2
 26  5  1
 25 26  1
 26 27  2
M  END
> <idnumber>
Z1436757139

> <smiles>
C(C(O)=O)N1C(C=Cc2cnc(c3ccsc3)s2)=Nc2ccccc2C1=O

> <CO>
5

> <ord>
63

> <cl>
7

$$$$
C19H19N3O3S
  MOLSOFT 06241911512D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.4000   -1.4000    0.0000 C   0  0  0
   -1.4000   -0.0000    0.0000 C   0  0  0
   -1.4000    1.4000    0.0000 C   0  0  0
   -2.8000   -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
    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
    6.9776   -1.2069    0.0000 N   0  0  0
    8.1102   -2.0298    0.0000 C   0  0  0
    9.3891   -1.4604    0.0000 C   0  0  0
   10.5218   -2.2833    0.0000 C   0  0  0
   10.3754   -3.6756    0.0000 C   0  0  0
    9.0965   -4.2451    0.0000 C   0  0  0
    7.9638   -3.4222    0.0000 C   0  0  0
    6.6849   -3.9916    0.0000 C   0  0  0
    5.5522   -3.1687    0.0000 N   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 O   0  0  0
    2.8480   -5.6999    0.0000 O   0  0  0
    6.5385   -5.3839    0.0000 O   0  0  0
    0.8229   -1.1326    0.0000 S   0  0  0
  1  2  1
  2  3  1
  2  4  1
  2  5  1
  5  6  2
  6  7  1
  7  8  2
  9 10  2  3
 10 11  1
 11 12  2
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 18 13  1
 17 18  2
 18 19  1
 20 11  1
 20 21  1
 21 22  1
 22 23  1
 22 24  2
 19 20  1
 19 25  2
  8  9  1
 26  5  1
  8 26  1
M  END
> <idnumber>
Z1436757698

> <smiles>
CC(C)(C)c1ncc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)s1

> <CO>
34

> <ord>
64

> <cl>
7

$$$$
C21H15N3O4
  MOLSOFT 06241911512D

 28 31  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 O   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -2.4246    7.2454    0.0000 C   0  0  0
   -3.5573    8.0683    0.0000 C   0  0  0
   -3.4109    9.4606    0.0000 C   0  0  0
   -2.1320   10.0300    0.0000 C   0  0  0
   -0.9993    9.2071    0.0000 C   0  0  0
   -1.1457    7.8148    0.0000 C   0  0  0
   -1.5306    4.9163    0.0000 N   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 12 13  1
 19  9  1
 12 19  2
  6  7  1
  6 20  2
 20 21  1
 21 22  2
 22 23  1
 23 24  2
 24 25  1
 26 21  1
 25 26  2
 27  5  1
 26 27  1
 27 28  2
M  END
> <idnumber>
Z1436757307

> <smiles>
C(C(O)=O)N1C(C=Cc2coc(c3ccccc3)n2)=Nc2ccccc2C1=O

> <CO>
14

> <ord>
65

> <cl>
7

$$$$
C22H17N3O4
  MOLSOFT 06241911512D

 29 32  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
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 N   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    7.4870    1.5229    0.0000 C   0  0  0
    7.3407    2.9152    0.0000 C   0  0  0
    8.4733    3.7381    0.0000 C   0  0  0
    8.3269    5.1305    0.0000 N   0  0  0
    9.4596    5.9534    0.0000 C   0  0  0
    9.3132    7.3457    0.0000 C   0  0  0
   10.4459    8.1686    0.0000 C   0  0  0
   11.7248    7.5992    0.0000 C   0  0  0
   11.8712    6.2068    0.0000 C   0  0  0
   10.7385    5.3839    0.0000 C   0  0  0
   10.8849    3.9916    0.0000 C   0  0  0
    9.7522    3.1687    0.0000 N   0  0  0
    9.8986    1.7764    0.0000 C   0  0  0
   11.1776    1.2069    0.0000 C   0  0  0
   12.3102    2.0298    0.0000 O   0  0  0
   11.3239   -0.1854    0.0000 O   0  0  0
   12.1638    3.4222    0.0000 O   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 O   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  2
  9 10  1
 11 12  2  3
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 18 19  1
 20 15  1
 19 20  2
 20 21  1
 22 13  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 10 11  1
 10 28  2
 29  8  1
 28 29  1
M  END
> <idnumber>
Z1436757505

> <smiles>
Cc1ccc(cc1)c1nc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)co1

> <CO>
20

> <ord>
66

> <cl>
7

$$$$
C20H14N4O3S
  MOLSOFT 06241911512D

 28 31  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 S   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -2.4246    7.2454    0.0000 C   0  0  0
   -3.5573    8.0683    0.0000 C   0  0  0
   -3.4109    9.4606    0.0000 C   0  0  0
   -2.1320   10.0300    0.0000 C   0  0  0
   -0.9993    9.2071    0.0000 C   0  0  0
   -1.1457    7.8148    0.0000 N   0  0  0
   -1.5306    4.9163    0.0000 N   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  1
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 12 13  1
 19  9  1
 12 19  2
  6  7  1
  6 20  2
 20 21  1
 21 22  2
 22 23  1
 23 24  2
 24 25  1
 26 21  1
 25 26  2
 27  5  1
 26 27  1
 27 28  2
M  END
> <idnumber>
Z1436757444

> <smiles>
C(C(O)=O)N1C(C=Cc2csc(c3ccccn3)n2)=Nc2ccccc2C1=O

> <CO>
18

> <ord>
67

> <cl>
7

$$$$
C21H14ClN3O3S
  MOLSOFT 06241911512D

 29 32  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 S   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -2.4246    7.2454    0.0000 C   0  0  0
   -3.5573    8.0683    0.0000 C   0  0  0
   -3.4109    9.4606    0.0000 C   0  0  0
   -2.1320   10.0300    0.0000 C   0  0  0
   -0.9993    9.2071    0.0000 C   0  0  0
   -1.1457    7.8148    0.0000 C   0  0  0
   -1.9856   11.4224    0.0000 Cl  0  0  0
   -1.5306    4.9163    0.0000 N   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  1
 13 14  1
 14 15  2
 15 16  1
 18 13  2
 17 18  1
 16 17  2
 16 19  1
 12 13  1
 20  9  1
 12 20  2
  6  7  1
  6 21  2
 21 22  1
 22 23  2
 23 24  1
 24 25  2
 25 26  1
 27 22  1
 26 27  2
 28  5  1
 27 28  1
 28 29  2
M  END
> <idnumber>
Z1436757605

> <smiles>
C(C(O)=O)N1C(C=Cc2csc(c3ccc(cc3)[Cl])n2)=Nc2ccccc2C1=O

> <CO>
28

> <ord>
68

> <cl>
7

$$$$
C22H17N3O3S
  MOLSOFT 06241911512D

 29 32  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
    4.2000    0.0000    0.0000 C   0  0  0
    5.0229    1.1326    0.0000 N   0  0  0
    6.3544    0.7000    0.0000 C   0  0  0
    7.4870    1.5229    0.0000 C   0  0  0
    7.3407    2.9152    0.0000 C   0  0  0
    8.4733    3.7381    0.0000 C   0  0  0
    8.3269    5.1305    0.0000 N   0  0  0
    9.4596    5.9534    0.0000 C   0  0  0
    9.3132    7.3457    0.0000 C   0  0  0
   10.4459    8.1686    0.0000 C   0  0  0
   11.7248    7.5992    0.0000 C   0  0  0
   11.8712    6.2068    0.0000 C   0  0  0
   10.7385    5.3839    0.0000 C   0  0  0
   10.8849    3.9916    0.0000 C   0  0  0
    9.7522    3.1687    0.0000 N   0  0  0
    9.8986    1.7764    0.0000 C   0  0  0
   11.1776    1.2069    0.0000 C   0  0  0
   12.3102    2.0298    0.0000 O   0  0  0
   11.3239   -0.1854    0.0000 O   0  0  0
   12.1638    3.4222    0.0000 O   0  0  0
    6.3544   -0.7000    0.0000 C   0  0  0
    5.0229   -1.1326    0.0000 S   0  0  0
  1  2  1
  2  3  1
  3  4  2
  4  5  1
  7  2  2
  6  7  1
  5  6  2
  5  8  1
  8  9  2
  9 10  1
 11 12  2  3
 12 13  1
 13 14  2
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 18 19  1
 20 15  1
 19 20  2
 20 21  1
 22 13  1
 22 23  1
 23 24  1
 24 25  1
 24 26  2
 21 22  1
 21 27  2
 10 11  1
 10 28  2
 29  8  1
 28 29  1
M  END
> <idnumber>
Z1436757991

> <smiles>
Cc1ccc(cc1)c1nc(C=CC2=Nc3ccccc3C(N2CC(O)=O)=O)cs1

> <CO>
51

> <ord>
69

> <cl>
7

$$$$
C21H15N3O3S
  MOLSOFT 06241911512D

 28 31  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 N   0  0  0
   -3.7834    5.1531    0.0000 C   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -1.5306    4.9163    0.0000 S   0  0  0
   -5.0624    5.7225    0.0000 C   0  0  0
   -6.1950    4.8996    0.0000 C   0  0  0
   -7.4740    5.4690    0.0000 C   0  0  0
   -7.6203    6.8613    0.0000 C   0  0  0
   -6.4877    7.6842    0.0000 C   0  0  0
   -5.2087    7.1148    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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 13  9  1
 12 13  1
 11 12  2
 11 14  1
 14 15  1
 15 16  2
 16 17  1
 17 18  2
 19 14  2
 18 19  1
  6  7  1
  6 20  2
 20 21  1
 21 22  2
 22 23  1
 23 24  2
 24 25  1
 26 21  1
 25 26  2
 27  5  1
 26 27  1
 27 28  2
M  END
> <idnumber>
Z1436758028

> <smiles>
C(C(O)=O)N1C(C=Cc2nc(cs2)c2ccccc2)=Nc2ccccc2C1=O

> <CO>
53

> <ord>
70

> <cl>
7

$$$$
C21H15N3O3S
  MOLSOFT 06241911512D

 28 31  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 N   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -2.4246    7.2454    0.0000 C   0  0  0
   -3.5573    8.0683    0.0000 C   0  0  0
   -3.4109    9.4606    0.0000 C   0  0  0
   -2.1320   10.0300    0.0000 C   0  0  0
   -0.9993    9.2071    0.0000 C   0  0  0
   -1.1457    7.8148    0.0000 C   0  0  0
   -1.5306    4.9163    0.0000 S   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  2
 13 14  1
 14 15  2
 15 16  1
 16 17  2
 18 13  2
 17 18  1
 12 13  1
 19  9  1
 12 19  1
  6  7  1
  6 20  2
 20 21  1
 21 22  2
 22 23  1
 23 24  2
 24 25  1
 26 21  1
 25 26  2
 27  5  1
 26 27  1
 27 28  2
M  END
> <idnumber>
Z1436758215

> <smiles>
C(C(O)=O)N1C(C=Cc2cnc(c3ccccc3)s2)=Nc2ccccc2C1=O

> <CO>
62

> <ord>
71

> <cl>
7

$$$$
C20H14N2O4
  MOLSOFT 06241911512D

 26 29  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 C   0  0  0
   -4.9958    5.8531    0.0000 C   0  0  0
   -4.9958    7.2531    0.0000 C   0  0  0
   -3.7834    7.9531    0.0000 C   0  0  0
   -2.5710    7.2531    0.0000 C   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -1.5306    4.9163    0.0000 O   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  1
 12 13  2
 13 14  1
 14 15  2
 16 11  2
 15 16  1
 17  9  1
 16 17  1
  6  7  1
  6 18  2
 18 19  1
 19 20  2
 20 21  1
 21 22  2
 22 23  1
 24 19  1
 23 24  2
 25  5  1
 24 25  1
 25 26  2
M  END
> <idnumber>
Z1436757281

> <smiles>
C(C(O)=O)N1C(C=Cc2cc3ccccc3o2)=Nc2ccccc2C1=O

> <CO>
11

> <ord>
72

> <cl>
8

$$$$
C20H13FN2O4
  MOLSOFT 06241911512D

 27 30  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 C   0  0  0
   -4.9958    5.8531    0.0000 C   0  0  0
   -4.9958    7.2531    0.0000 C   0  0  0
   -3.7834    7.9531    0.0000 C   0  0  0
   -2.5710    7.2531    0.0000 C   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -1.5306    4.9163    0.0000 O   0  0  0
   -6.2083    7.9531    0.0000 F   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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  1
 12 13  2
 14 15  2
 16 11  2
 15 16  1
 17  9  1
 16 17  1
 13 14  1
 13 18  1
  6  7  1
  6 19  2
 19 20  1
 20 21  2
 21 22  1
 22 23  2
 23 24  1
 25 20  1
 24 25  2
 26  5  1
 25 26  1
 26 27  2
M  END
> <idnumber>
Z1436758071

> <smiles>
C(C(O)=O)N1C(C=Cc2cc3cc(ccc3o2)F)=Nc2ccccc2C1=O

> <CO>
57

> <ord>
73

> <cl>
8

$$$$
C19H13ClN4O3
  MOLSOFT 06241911512D

 27 30  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
   -1.4000   -2.4249    0.0000 O   0  0  0
   -3.5000   -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
   -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
   -3.4923    3.7836    0.0000 C   0  0  0
   -3.7834    5.1531    0.0000 N   0  0  0
   -4.9958    5.8531    0.0000 C   0  0  0
   -4.9958    7.2531    0.0000 C   0  0  0
   -3.7834    7.9531    0.0000 C   0  0  0
   -2.5710    7.2531    0.0000 C   0  0  0
   -2.5710    5.8531    0.0000 C   0  0  0
   -1.5306    4.9163    0.0000 N   0  0  0
   -6.2083    7.9531    0.0000 Cl  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 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 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  1
  5  6  1
  7  8  2  3
  8  9  1
  9 10  2
 10 11  1
 11 12  1
 12 13  2
 14 15  2
 16 11  1
 15 16  1
 17  9  1
 16 17  2
 13 14  1
 13 18  1
  6  7  1
  6 19  2
 19 20  1
 20 21  2
 21 22  1
 22 23  2
 23 24  1
 25 20  1
 24 25  2
 26  5  1
 25 26  1
 26 27  2
M  END
> <idnumber>
Z1436757846

> <smiles>
C(C(O)=O)N1C(C=Cc2cn3cc(ccc3n2)[Cl])=Nc2ccccc2C1=O

> <CO>
41

> <ord>
74

> <cl>
9

$$$$
C20H17N5O3
  MOLSOFT 06241911512D

 28 31  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 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    1.2811    4.8082    0.0000 C   0  0  0
   -0.0503    5.2408    0.0000 C   0  0  0
   -0.3414    6.6103    0.0000 C   0  0  0
   -1.6729    7.0429    0.0000 N   0  0  0
   -1.9640    8.4123    0.0000 C   0  0  0
   -3.2954    8.8449    0.0000 C   0  0  0
   -3.5865   10.2143    0.0000 C   0  0  0
   -2.5461   11.1511    0.0000 C   0  0  0
   -1.2146   10.7185    0.0000 C   0  0  0
   -0.9236    9.3491    0.0000 C   0  0  0
    0.4079    8.9164    0.0000 C   0  0  0
    0.6990    7.5470    0.0000 N   0  0  0
    2.0305    7.1144    0.0000 C   0  0  0
    3.0709    8.0512    0.0000 C   0  0  0
    2.7798    9.4206    0.0000 O   0  0  0
    4.4024    7.6186    0.0000 O   0  0  0
    1.4483    9.8532    0.0000 O   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 N   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 N   0  0  0
  1  2  1
  2  3  1
  3  4  1
  4  5  2
  6  7  2  3
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 17  8  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  5  6  1
  5 23  1
 23 24  2
 25  3  2
 24 25  1
 25 26  1
 26 27  1
 28  2  2
 26 28  1
M  END
> <idnumber>
Z1436757858

> <smiles>
Cc1c2cc(C=CC3=Nc4ccccc4C(N3CC(O)=O)=O)cnc2n(C)n1

> <CO>
44

> <ord>
75

> <cl>
10

$$$$
C22H17N3O5S
  MOLSOFT 06241911512D

 31 34  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 C   0  0  0
    0.5318    2.5020    0.0000 C   0  0  0
    1.5722    3.4388    0.0000 C   0  0  0
    1.2811    4.8082    0.0000 C   0  0  0
   -0.0503    5.2408    0.0000 C   0  0  0
   -0.3414    6.6103    0.0000 C   0  0  0
   -1.6729    7.0429    0.0000 N   0  0  0
   -1.9640    8.4123    0.0000 C   0  0  0
   -3.2954    8.8449    0.0000 C   0  0  0
   -3.5865   10.2143    0.0000 C   0  0  0
   -2.5461   11.1511    0.0000 C   0  0  0
   -1.2146   10.7185    0.0000 C   0  0  0
   -0.9236    9.3491    0.0000 C   0  0  0
    0.4079    8.9164    0.0000 C   0  0  0
    0.6990    7.5470    0.0000 N   0  0  0
    2.0305    7.1144    0.0000 C   0  0  0
    3.0709    8.0512    0.0000 C   0  0  0
    2.7798    9.4206    0.0000 O   0  0  0
    4.4024    7.6186    0.0000 O   0  0  0
    1.4483    9.8532    0.0000 O   0  0  0
    2.9037    3.0062    0.0000 C   0  0  0
    3.1948    1.6368    0.0000 N   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
   -0.9791   -2.7552    0.0000 O   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  1
  4  5  2
  6  7  2  3
  7  8  1
  8  9  2
  9 10  1
 10 11  2
 11 12  1
 12 13  2
 13 14  1
 15 10  1
 14 15  2
 15 16  1
 17  8  1
 17 18  1
 18 19  1
 19 20  1
 19 21  2
 16 17  1
 16 22  2
  5  6  1
  5 23  1
 23 24  2
 25  3  2
 24 25  1
 25 26  1
 27  2  2
 26 27  1
 27 28  1
 28 29  2
 28 30  1
 30 31  1
M  END
> <idnumber>
Z1436757270

> <smiles>
Cc1c2cc(C=CC3=Nc4ccccc4C(N3CC(O)=O)=O)cnc2sc1C(=O)OC

> <CO>
10

> <ord>
76

> <cl>
11

$$$$
