
csCF1200/ 02271116062D

 12 14  0  0  0  0  0  0  0  0999 V2000
   32.6662  -19.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6662  -20.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7431  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -21.4686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -22.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -20.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -18.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  2  4  1  0        0
  3  5  1  0        0
  5  6  1  0        0
  4  6  1  0        0
  4  7  1  0        0
  5  8  1  0        0
  1  9  1  0        0
  9 10  1  0        0
 10  8  1  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  1  0        0
M  END
>  <Formula> (1)
C11H19N

>  <Compd ID> (1)
BB-01-001

>  <Brand> (1)
DDP

>  <CAS #> (1)
17768-41-1

>  <Mol_Weight> (1)
165.275

>  <Exact_Mass> (1)
165.152

>  <Chemical_Name> (1)
(1s,3s)-adamantan-1-ylmethanamine

$$$$

csCF1200/ 02271116062D

 20 23  0  0  0  0  0  0  0  0999 V2000
   32.6662  -19.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6662  -20.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7431  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -21.4686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -22.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -20.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -18.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  2  4  1  0        0
  3  5  1  0        0
  5  6  1  0        0
  4  6  1  0        0
  4  7  1  0        0
  5  8  1  0        0
  1  9  1  0        0
  9 10  1  0        0
 10  8  1  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 15 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 16  1  0        0
M  END
>  <Formula> (2)
C19H27N

>  <Compd ID> (2)
BB-01-002

>  <Brand> (2)
DDP

>  <Mol_Weight> (2)
269.424

>  <Exact_Mass> (2)
269.214

>  <Chemical_Name> (2)
N-((1s,3s)-adamantan-1-ylmethyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   32.6662  -19.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6662  -20.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7431  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -21.4686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -22.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -20.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -18.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  2  4  1  0        0
  3  5  1  0        0
  5  6  1  0        0
  4  6  1  0        0
  4  7  1  0        0
  5  8  1  0        0
  1  9  1  0        0
  9 10  1  0        0
 10  8  1  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 15 17  2  0        0
 16 18  1  0        0
 18 19  1  0        0
M  END
>  <Formula> (3)
C16H27NO2

>  <Compd ID> (3)
BB-01-003

>  <Brand> (3)
DDP

>  <Mol_Weight> (3)
265.391

>  <Exact_Mass> (3)
265.204

>  <Chemical_Name> (3)
ethyl 3-(((1s,3s)-adamantan-1-ylmethyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0408  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  1  7  1  0        0
M  END
>  <Formula> (4)
C5H9N3

>  <Compd ID> (4)
BB-01-009

>  <Brand> (4)
DDP

>  <CAS #> (4)
486414-86-2

>  <Mol_Weight> (4)
111.145

>  <Exact_Mass> (4)
111.08

>  <Chemical_Name> (4)
(1-methyl-1H-imidazol-5-yl)methanamine

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  1  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 11 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 12  1  0        0
M  END
>  <Formula> (5)
C13H17N3

>  <Compd ID> (5)
BB-01-010

>  <Brand> (5)
DDP

>  <Mol_Weight> (5)
215.294

>  <Exact_Mass> (5)
215.142

>  <Chemical_Name> (5)
N-((1-methyl-1H-imidazol-5-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9514  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0408  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0001  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0460  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  1  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 11 13  2  0        0
 12 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (6)
C10H17N3O2

>  <Compd ID> (6)
BB-01-011

>  <Brand> (6)
DDP

>  <Mol_Weight> (6)
211.261

>  <Exact_Mass> (6)
211.132

>  <Chemical_Name> (6)
ethyl 3-(((1-methyl-1H-imidazol-5-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -17.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  6  7  1  0        0
M  END
>  <Formula> (7)
C5H8N2S

>  <Compd ID> (7)
BB-01-017

>  <Brand> (7)
DDP

>  <Mol_Weight> (7)
128.195

>  <Exact_Mass> (7)
128.041

>  <Chemical_Name> (7)
(4-methylthiazol-5-yl)methanamine

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -17.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  6  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 11 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 12  1  0        0
M  END
>  <Formula> (8)
C13H16N2S

>  <Compd ID> (8)
BB-01-018

>  <Brand> (8)
DDP

>  <Mol_Weight> (8)
232.345

>  <Exact_Mass> (8)
232.103

>  <Chemical_Name> (8)
N-((4-methylthiazol-5-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9514  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -17.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0001  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0460  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  6  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 11 13  2  0        0
 12 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (9)
C10H16N2O2S

>  <Compd ID> (9)
BB-01-019

>  <Brand> (9)
DDP

>  <Mol_Weight> (9)
228.311

>  <Exact_Mass> (9)
228.093

>  <Chemical_Name> (9)
ethyl 3-(((4-methylthiazol-5-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
M  END
>  <Formula> (10)
C5H8N2S

>  <Compd ID> (10)
BB-01-025

>  <Brand> (10)
DDP

>  <CAS #> (10)
63139-97-9

>  <Mol_Weight> (10)
128.195

>  <Exact_Mass> (10)
128.041

>  <Chemical_Name> (10)
(2-methylthiazol-5-yl)methanamine

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 11 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 12  1  0        0
M  END
>  <Formula> (11)
C13H16N2S

>  <Compd ID> (11)
BB-01-026

>  <Brand> (11)
DDP

>  <Mol_Weight> (11)
232.345

>  <Exact_Mass> (11)
232.103

>  <Chemical_Name> (11)
N-((2-methylthiazol-5-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9514  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0001  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0460  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 11 13  2  0        0
 12 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (12)
C10H16N2O2S

>  <Compd ID> (12)
BB-01-027

>  <Brand> (12)
DDP

>  <Mol_Weight> (12)
228.311

>  <Exact_Mass> (12)
228.093

>  <Chemical_Name> (12)
ethyl 3-(((2-methylthiazol-5-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
M  END
>  <Formula> (13)
C4H7N3S

>  <Compd ID> (13)
BB-01-033

>  <Brand> (13)
DDP

>  <CAS #> (13)
784131-72-2

>  <Mol_Weight> (13)
129.183

>  <Exact_Mass> (13)
129.036

>  <Chemical_Name> (13)
(5-methyl-1,3,4-thiadiazol-2-yl)methanamine

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 11 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 12  1  0        0
M  END
>  <Formula> (14)
C12H15N3S

>  <Compd ID> (14)
BB-01-034

>  <Brand> (14)
DDP

>  <Mol_Weight> (14)
233.333

>  <Exact_Mass> (14)
233.099

>  <Chemical_Name> (14)
N-((5-methyl-1,3,4-thiadiazol-2-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9514  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0001  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0460  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 11 13  2  0        0
 12 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (15)
C9H15N3O2S

>  <Compd ID> (15)
BB-01-035

>  <Brand> (15)
DDP

>  <Mol_Weight> (15)
229.299

>  <Exact_Mass> (15)
229.088

>  <Chemical_Name> (15)
ethyl 3-(((5-methyl-1,3,4-thiadiazol-2-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.7329  -20.7399    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.7329  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4139  -18.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -21.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0765  -19.9783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -18.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6510  -22.6559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0950  -19.2169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2154  -21.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6833  -22.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2900  -23.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0767  -20.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1514  -22.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1407  -22.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6103  -24.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0        0
 10 11  1  0        0
 10 12  1  0        0
 10 13  1  0        0
 14 15  2  0        0
  9 14  1  0        0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  7 14  1  0        0
M  END
>  <Formula> (16)
C9H15N3O2S

>  <Compd ID> (16)
BB-01-041

>  <Brand> (16)
DDP

>  <Mol_Weight> (16)
229.299

>  <Exact_Mass> (16)
229.088

>  <Chemical_Name> (16)
tert-butyl (5-(aminomethyl)thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 23 24  0  0  0  0  0  0  0  0999 V2000
   27.7329  -20.7399    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.7329  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4139  -18.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -21.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0765  -19.9783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -18.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6510  -22.6559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0950  -19.2169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7788  -18.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4626  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1437  -18.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8247  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1437  -16.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8247  -16.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5057  -16.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5057  -18.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2153  -21.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6833  -22.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2900  -23.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0767  -20.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1513  -22.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1407  -22.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6103  -24.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  1  0        0
 18 19  1  0        0
 18 20  1  0        0
 18 21  1  0        0
 22 23  2  0        0
 17 22  1  0        0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  7 22  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 11 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 12  1  0        0
M  END
>  <Formula> (17)
C17H23N3O2S

>  <Compd ID> (17)
BB-01-042

>  <Brand> (17)
DDP

>  <Mol_Weight> (17)
333.448

>  <Exact_Mass> (17)
333.151

>  <Chemical_Name> (17)
tert-butyl (5-((phenethylamino)methyl)thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 22 22  0  0  0  0  0  0  0  0999 V2000
   27.7345  -20.7402    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.7345  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4155  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -21.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0781  -19.9787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -18.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6526  -22.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0966  -19.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7804  -18.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4642  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1453  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8263  -19.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1453  -16.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5101  -18.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1940  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2138  -21.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6818  -22.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2884  -23.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0751  -20.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1498  -22.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1391  -22.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6088  -24.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  7 21  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 11 13  2  0        0
 12 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (18)
C14H23N3O4S

>  <Compd ID> (18)
BB-01-043

>  <Brand> (18)
DDP

>  <Mol_Weight> (18)
329.415

>  <Exact_Mass> (18)
329.141

>  <Chemical_Name> (18)
ethyl 3-(((2-((tert-butoxycarbonyl)amino)thiazol-5-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.7329  -20.7399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7329  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4139  -18.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -21.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0765  -19.9783    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -18.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6510  -22.6559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0950  -19.2169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2154  -21.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6833  -22.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2900  -23.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0767  -20.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1514  -22.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1407  -22.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6103  -24.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0        0
 10 11  1  0        0
 10 12  1  0        0
 10 13  1  0        0
 14 15  2  0        0
  9 14  1  0        0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  2  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  7 14  1  0        0
M  END
>  <Formula> (19)
C9H15N3O2S

>  <Compd ID> (19)
BB-01-049

>  <Brand> (19)
DDP

>  <Mol_Weight> (19)
229.299

>  <Exact_Mass> (19)
229.088

>  <Chemical_Name> (19)
tert-butyl (4-(aminomethyl)thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 23 24  0  0  0  0  0  0  0  0999 V2000
   27.7329  -20.7399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7329  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4139  -18.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -21.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0765  -19.9783    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -18.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6510  -22.6559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0950  -19.2169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7788  -18.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4626  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1437  -18.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8247  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1437  -16.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8247  -16.1709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5057  -16.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5057  -18.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2153  -21.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6833  -22.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2900  -23.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0767  -20.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1513  -22.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1407  -22.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6103  -24.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  1  0        0
 18 19  1  0        0
 18 20  1  0        0
 18 21  1  0        0
 22 23  2  0        0
 17 22  1  0        0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  2  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  7 22  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 11 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 12  1  0        0
M  END
>  <Formula> (20)
C17H23N3O2S

>  <Compd ID> (20)
BB-01-050

>  <Brand> (20)
DDP

>  <Mol_Weight> (20)
333.448

>  <Exact_Mass> (20)
333.151

>  <Chemical_Name> (20)
tert-butyl (4-((phenethylamino)methyl)thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 22 22  0  0  0  0  0  0  0  0999 V2000
   27.7345  -20.7402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7345  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4155  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -21.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0781  -19.9787    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -18.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6526  -22.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0966  -19.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7804  -18.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4642  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1453  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8263  -19.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1453  -16.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5101  -18.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1940  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2138  -21.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6818  -22.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2884  -23.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0751  -20.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1498  -22.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1391  -22.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6088  -24.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  2  1  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  1  4  2  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  7 21  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 11 13  2  0        0
 12 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (21)
C14H23N3O4S

>  <Compd ID> (21)
BB-01-051

>  <Brand> (21)
DDP

>  <Mol_Weight> (21)
329.415

>  <Exact_Mass> (21)
329.141

>  <Chemical_Name> (21)
ethyl 3-(((2-((tert-butoxycarbonyl)amino)thiazol-4-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 10 10  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9130    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 10  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  3  8  1  0        0
  7  9  1  0        0
M  END
>  <Formula> (22)
C7H7Br2N

>  <Compd ID> (22)
BB-01-057

>  <Brand> (22)
DDP

>  <Mol_Weight> (22)
264.945

>  <Exact_Mass> (22)
262.895

>  <Chemical_Name> (22)
(2,6-dibromophenyl)methanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9130    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 10  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  3  8  1  0        0
  7  9  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 14  1  0        0
M  END
>  <Formula> (23)
C15H15Br2N

>  <Compd ID> (23)
BB-01-058

>  <Brand> (23)
DDP

>  <Mol_Weight> (23)
369.094

>  <Exact_Mass> (23)
366.957

>  <Chemical_Name> (23)
N-(2,6-dibromobenzyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 10  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  3  8  1  0        0
  7  9  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
 14 16  1  0        0
 16 17  1  0        0
M  END
>  <Formula> (24)
C12H15Br2NO2

>  <Compd ID> (24)
BB-01-059

>  <Brand> (24)
DDP

>  <Mol_Weight> (24)
365.061

>  <Exact_Mass> (24)
362.947

>  <Chemical_Name> (24)
ethyl 3-((2,6-dibromobenzyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 11  0  0  0  0  0  0  0  0999 V2000
   30.2703  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -19.6318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -16.5874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  3  0        0
  1  2  1  0        0
  2  9  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7 10  1  0        0
  6  8  1  0        0
M  END
>  <Formula> (25)
C8H7ClN2

>  <Compd ID> (25)
BB-01-065

>  <Brand> (25)
DDP

>  <Mol_Weight> (25)
166.608

>  <Exact_Mass> (25)
166.03

>  <Chemical_Name> (25)
2-(aminomethyl)-6-chlorobenzonitrile

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.2703  -20.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -19.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -22.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.5323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -20.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -19.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -19.2494    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -20.0093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -19.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -20.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -19.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -20.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -19.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -16.2050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  3  0        0
  1  2  1  0        0
  2  9  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7 18  1  0        0
  6  8  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 12 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 13  1  0        0
M  END
>  <Formula> (26)
C16H15ClN2

>  <Compd ID> (26)
BB-01-066

>  <Brand> (26)
DDP

>  <Mol_Weight> (26)
270.757

>  <Exact_Mass> (26)
270.092

>  <Chemical_Name> (26)
2-chloro-6-((phenethylamino)methyl)benzonitrile

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -19.6318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -19.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -20.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -19.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -16.5874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  3  0        0
  1  2  1  0        0
  2  9  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7 17  1  0        0
  6  8  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 12 14  2  0        0
 13 15  1  0        0
 15 16  1  0        0
M  END
>  <Formula> (27)
C13H15ClN2O2

>  <Compd ID> (27)
BB-01-067

>  <Brand> (27)
DDP

>  <Mol_Weight> (27)
266.723

>  <Exact_Mass> (27)
266.082

>  <Chemical_Name> (27)
ethyl 3-((3-chloro-2-cyanobenzyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 11  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -18.8703    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7  8  1  0        0
  6  9  1  0        0
  4 10  1  0        0
M  END
>  <Formula> (28)
C7H7Br2NO

>  <Compd ID> (28)
BB-01-073

>  <Brand> (28)
DDP

>  <CAS #> (28)
5428-91-1

>  <Mol_Weight> (28)
280.945

>  <Exact_Mass> (28)
278.889

>  <Chemical_Name> (28)
2-(aminomethyl)-4,6-dibromophenol

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -18.8703    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7  8  1  0        0
  6  9  1  0        0
  4 10  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 15  1  0        0
M  END
>  <Formula> (29)
C15H15Br2NO

>  <Compd ID> (29)
BB-01-074

>  <Brand> (29)
DDP

>  <Mol_Weight> (29)
385.094

>  <Exact_Mass> (29)
382.952

>  <Chemical_Name> (29)
2,4-dibromo-6-((phenethylamino)methyl)phenol

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -18.8703    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7  8  1  0        0
  6  9  1  0        0
  4 10  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  2  0        0
 15 17  1  0        0
 17 18  1  0        0
M  END
>  <Formula> (30)
C12H15Br2NO3

>  <Compd ID> (30)
BB-01-075

>  <Brand> (30)
DDP

>  <Mol_Weight> (30)
381.06

>  <Exact_Mass> (30)
378.942

>  <Chemical_Name> (30)
ethyl 3-((3,5-dibromo-2-hydroxybenzyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 10 10  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9130    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 10  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7  8  1  0        0
  3  9  1  0        0
M  END
>  <Formula> (31)
C6H6Br2N2

>  <Compd ID> (31)
BB-01-081

>  <Brand> (31)
DDP

>  <Mol_Weight> (31)
265.933

>  <Exact_Mass> (31)
263.89

>  <Chemical_Name> (31)
(3,5-dibromopyridin-4-yl)methanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9130    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 10  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7  8  1  0        0
  3  9  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 14  1  0        0
M  END
>  <Formula> (32)
C14H14Br2N2

>  <Compd ID> (32)
BB-01-082

>  <Brand> (32)
DDP

>  <Mol_Weight> (32)
370.082

>  <Exact_Mass> (32)
367.952

>  <Chemical_Name> (32)
N-((3,5-dibromopyridin-4-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 10  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7  8  1  0        0
  3  9  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
 14 16  1  0        0
 16 17  1  0        0
M  END
>  <Formula> (33)
C11H14Br2N2O2

>  <Compd ID> (33)
BB-01-083

>  <Brand> (33)
DDP

>  <Mol_Weight> (33)
366.049

>  <Exact_Mass> (33)
363.942

>  <Chemical_Name> (33)
ethyl 3-(((3,5-dibromopyridin-4-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7027  -20.3917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
M  END
>  <Formula> (34)
C10H9BrN2O

>  <Compd ID> (34)
BB-01-089

>  <Brand> (34)
DDP

>  <Mol_Weight> (34)
253.095

>  <Exact_Mass> (34)
251.99

>  <Chemical_Name> (34)
(5-(4-bromophenyl)isoxazol-3-yl)methanamine

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7027  -20.3917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  2  0        0
 17 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 18  1  0        0
M  END
>  <Formula> (35)
C18H17BrN2O

>  <Compd ID> (35)
BB-01-090

>  <Brand> (35)
DDP

>  <Mol_Weight> (35)
357.244

>  <Exact_Mass> (35)
356.052

>  <Chemical_Name> (35)
N-((5-(4-bromophenyl)isoxazol-3-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7027  -20.3917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 17 19  2  0        0
 18 20  1  0        0
 20 21  1  0        0
M  END
>  <Formula> (36)
C15H17BrN2O3

>  <Compd ID> (36)
BB-01-091

>  <Brand> (36)
DDP

>  <Mol_Weight> (36)
353.211

>  <Exact_Mass> (36)
352.042

>  <Chemical_Name> (36)
ethyl 3-(((5-(4-bromophenyl)isoxazol-3-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
M  END
>  <Formula> (37)
C9H9N3S

>  <Compd ID> (37)
BB-01-097

>  <Brand> (37)
DDP

>  <Mol_Weight> (37)
191.253

>  <Exact_Mass> (37)
191.052

>  <Chemical_Name> (37)
(2-(pyridin-4-yl)thiazol-4-yl)methanamine

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 16 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 17  1  0        0
M  END
>  <Formula> (38)
C17H17N3S

>  <Compd ID> (38)
BB-01-098

>  <Brand> (38)
DDP

>  <Mol_Weight> (38)
295.402

>  <Exact_Mass> (38)
295.114

>  <Chemical_Name> (38)
2-phenyl-N-((2-(pyridin-4-yl)thiazol-4-yl)methyl)ethanamine

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 16 18  2  0        0
 17 19  1  0        0
 19 20  1  0        0
M  END
>  <Formula> (39)
C14H17N3O2S

>  <Compd ID> (39)
BB-01-099

>  <Brand> (39)
DDP

>  <Mol_Weight> (39)
291.369

>  <Exact_Mass> (39)
291.104

>  <Chemical_Name> (39)
ethyl 3-(((2-(pyridin-4-yl)thiazol-4-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
  3 13  1  0        0
M  END
>  <Formula> (40)
C10H11N3S

>  <Compd ID> (40)
BB-01-105

>  <Brand> (40)
DDP

>  <CAS #> (40)
1082141-24-9

>  <Mol_Weight> (40)
205.279

>  <Exact_Mass> (40)
205.067

>  <Chemical_Name> (40)
(4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methanamine

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
  3 13  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  2  0        0
 17 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 18  1  0        0
M  END
>  <Formula> (41)
C18H19N3S

>  <Compd ID> (41)
BB-01-106

>  <Brand> (41)
DDP

>  <Mol_Weight> (41)
309.429

>  <Exact_Mass> (41)
309.13

>  <Chemical_Name> (41)
N-((4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
  3 13  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 17 19  2  0        0
 18 20  1  0        0
 20 21  1  0        0
M  END
>  <Formula> (42)
C15H19N3O2S

>  <Compd ID> (42)
BB-01-107

>  <Brand> (42)
DDP

>  <Mol_Weight> (42)
305.395

>  <Exact_Mass> (42)
305.12

>  <Chemical_Name> (42)
ethyl 3-(((4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8528  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
M  END
>  <Formula> (43)
C9H9NO

>  <Compd ID> (43)
BB-01-113

>  <Brand> (43)
DDP

>  <CAS #> (43)
37798-05-3

>  <Mol_Weight> (43)
147.174

>  <Exact_Mass> (43)
147.068

>  <Chemical_Name> (43)
benzofuran-2-ylmethanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8528  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 15  1  0        0
M  END
>  <Formula> (44)
C17H17NO

>  <Compd ID> (44)
BB-01-114

>  <Brand> (44)
DDP

>  <Mol_Weight> (44)
251.323

>  <Exact_Mass> (44)
251.131

>  <Chemical_Name> (44)
N-(benzofuran-2-ylmethyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  2  0        0
 15 17  1  0        0
 17 18  1  0        0
M  END
>  <Formula> (45)
C14H17NO3

>  <Compd ID> (45)
BB-01-115

>  <Brand> (45)
DDP

>  <Mol_Weight> (45)
247.29

>  <Exact_Mass> (45)
247.121

>  <Chemical_Name> (45)
ethyl 3-((benzofuran-2-ylmethyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8528  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
M  END
>  <Formula> (46)
C9H9NS

>  <Compd ID> (46)
BB-01-121

>  <Brand> (46)
DDP

>  <CAS #> (46)
6314-43-8

>  <Mol_Weight> (46)
163.239

>  <Exact_Mass> (46)
163.046

>  <Chemical_Name> (46)
benzo[b]thiophen-2-ylmethanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8528  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
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 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 15  1  0        0
M  END
>  <Formula> (47)
C17H17NS

>  <Compd ID> (47)
BB-01-122

>  <Brand> (47)
DDP

>  <Mol_Weight> (47)
267.389

>  <Exact_Mass> (47)
267.108

>  <Chemical_Name> (47)
N-(benzo[b]thiophen-2-ylmethyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  2  0        0
 15 17  1  0        0
 17 18  1  0        0
M  END
>  <Formula> (48)
C14H17NO2S

>  <Compd ID> (48)
BB-01-123

>  <Brand> (48)
DDP

>  <Mol_Weight> (48)
263.355

>  <Exact_Mass> (48)
263.098

>  <Chemical_Name> (48)
ethyl 3-((benzo[b]thiophen-2-ylmethyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8528  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
M  END
>  <Formula> (49)
C9H9NO

>  <Compd ID> (49)
BB-01-129

>  <Brand> (49)
DDP

>  <CAS #> (49)
165735-63-7

>  <Mol_Weight> (49)
147.174

>  <Exact_Mass> (49)
147.068

>  <Chemical_Name> (49)
benzofuran-3-ylmethanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8528  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 15  1  0        0
M  END
>  <Formula> (50)
C17H17NO

>  <Compd ID> (50)
BB-01-130

>  <Brand> (50)
DDP

>  <Mol_Weight> (50)
251.323

>  <Exact_Mass> (50)
251.131

>  <Chemical_Name> (50)
N-(benzofuran-3-ylmethyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  2  0        0
 15 17  1  0        0
 17 18  1  0        0
M  END
>  <Formula> (51)
C14H17NO3

>  <Compd ID> (51)
BB-01-131

>  <Brand> (51)
DDP

>  <Mol_Weight> (51)
247.29

>  <Exact_Mass> (51)
247.121

>  <Chemical_Name> (51)
ethyl 3-((benzofuran-3-ylmethyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8528  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
M  END
>  <Formula> (52)
C9H9NS

>  <Compd ID> (52)
BB-01-137

>  <Brand> (52)
DDP

>  <CAS #> (52)
40615-04-1

>  <Mol_Weight> (52)
163.239

>  <Exact_Mass> (52)
163.046

>  <Chemical_Name> (52)
benzo[b]thiophen-3-ylmethanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8528  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 15  1  0        0
M  END
>  <Formula> (53)
C17H17NS

>  <Compd ID> (53)
BB-01-138

>  <Brand> (53)
DDP

>  <Mol_Weight> (53)
267.389

>  <Exact_Mass> (53)
267.108

>  <Chemical_Name> (53)
N-(benzo[b]thiophen-3-ylmethyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  2  0        0
 15 17  1  0        0
 17 18  1  0        0
M  END
>  <Formula> (54)
C14H17NO2S

>  <Compd ID> (54)
BB-01-139

>  <Brand> (54)
DDP

>  <Mol_Weight> (54)
263.355

>  <Exact_Mass> (54)
263.098

>  <Chemical_Name> (54)
ethyl 3-((benzo[b]thiophen-3-ylmethyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8528  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
M  END
>  <Formula> (55)
C7H8N4

>  <Compd ID> (55)
BB-01-145

>  <Brand> (55)
DDP

>  <Mol_Weight> (55)
148.165

>  <Exact_Mass> (55)
148.075

>  <Chemical_Name> (55)
imidazo[1,2-a]pyrazin-3-ylmethanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8528  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
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 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 15  1  0        0
M  END
>  <Formula> (56)
C15H16N4

>  <Compd ID> (56)
BB-01-146

>  <Brand> (56)
DDP

>  <Mol_Weight> (56)
252.314

>  <Exact_Mass> (56)
252.137

>  <Chemical_Name> (56)
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  2  0        0
 15 17  1  0        0
 17 18  1  0        0
M  END
>  <Formula> (57)
C12H16N4O2

>  <Compd ID> (57)
BB-01-147

>  <Brand> (57)
DDP

>  <Mol_Weight> (57)
248.281

>  <Exact_Mass> (57)
248.127

>  <Chemical_Name> (57)
ethyl 3-((imidazo[1,2-a]pyrazin-3-ylmethyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  3 11  1  0        0
M  END
>  <Formula> (58)
C9H11N3

>  <Compd ID> (58)
BB-01-153

>  <Brand> (58)
DDP

>  <CAS #> (58)
34164-91-5

>  <Mol_Weight> (58)
161.204

>  <Exact_Mass> (58)
161.095

>  <Chemical_Name> (58)
(2-methylimidazo[1,2-a]pyridin-3-yl)methanamine

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8528  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  3 11  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 15 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 16  1  0        0
M  END
>  <Formula> (59)
C17H19N3

>  <Compd ID> (59)
BB-01-154

>  <Brand> (59)
DDP

>  <Mol_Weight> (59)
265.353

>  <Exact_Mass> (59)
265.158

>  <Chemical_Name> (59)
N-((2-methylimidazo[1,2-a]pyridin-3-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  3 11  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 15 17  2  0        0
 16 18  1  0        0
 18 19  1  0        0
M  END
>  <Formula> (60)
C14H19N3O2

>  <Compd ID> (60)
BB-01-155

>  <Brand> (60)
DDP

>  <Mol_Weight> (60)
261.32

>  <Exact_Mass> (60)
261.148

>  <Chemical_Name> (60)
ethyl 3-(((2-methylimidazo[1,2-a]pyridin-3-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2595  -18.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  3 11  1  0        0
  8 12  1  0        0
M  END
>  <Formula> (61)
C10H13N3

>  <Compd ID> (61)
BB-01-161

>  <Brand> (61)
DDP

>  <Mol_Weight> (61)
175.23

>  <Exact_Mass> (61)
175.111

>  <Chemical_Name> (61)
(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methanamine

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2595  -18.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  3 11  1  0        0
  8 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 16 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 17  1  0        0
M  END
>  <Formula> (62)
C18H21N3

>  <Compd ID> (62)
BB-01-162

>  <Brand> (62)
DDP

>  <Mol_Weight> (62)
279.379

>  <Exact_Mass> (62)
279.174

>  <Chemical_Name> (62)
N-((2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2595  -18.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  3 11  1  0        0
  8 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 16 18  2  0        0
 17 19  1  0        0
 19 20  1  0        0
M  END
>  <Formula> (63)
C15H21N3O2

>  <Compd ID> (63)
BB-01-163

>  <Brand> (63)
DDP

>  <Mol_Weight> (63)
275.346

>  <Exact_Mass> (63)
275.163

>  <Chemical_Name> (63)
ethyl 3-(((2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -16.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3256  -15.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -16.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8868  -16.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3564  -14.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0        0
 13 14  1  0        0
 13 15  1  0        0
 13 16  1  0        0
 17 18  2  0        0
 12 17  1  0        0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  6  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  7  1  0        0
 10 17  1  0        0
M  END
>  <Formula> (64)
C14H20N2O2

>  <Compd ID> (64)
BB-01-169

>  <Brand> (64)
DDP

>  <CAS #> (64)
1086392-30-4

>  <Mol_Weight> (64)
248.321

>  <Exact_Mass> (64)
248.152

>  <Chemical_Name> (64)
tert-butyl 7-(aminomethyl)indoline-1-carboxylate

$$$$

csCF1200/ 02271116062D

 26 28  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -16.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3256  -15.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -16.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8868  -16.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3564  -14.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0        0
 21 22  1  0        0
 21 23  1  0        0
 21 24  1  0        0
 25 26  2  0        0
 20 25  1  0        0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  6  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  7  1  0        0
 10 25  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 15  1  0        0
M  END
>  <Formula> (65)
C22H28N2O2

>  <Compd ID> (65)
BB-01-170

>  <Brand> (65)
DDP

>  <Mol_Weight> (65)
352.47

>  <Exact_Mass> (65)
352.215

>  <Chemical_Name> (65)
tert-butyl 7-((phenethylamino)methyl)indoline-1-carboxylate

$$$$

csCF1200/ 02271116062D

 25 26  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -16.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3256  -15.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -16.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8868  -16.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3564  -14.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  6  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  7  1  0        0
 10 24  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  2  0        0
 15 17  1  0        0
 17 18  1  0        0
M  END
>  <Formula> (66)
C19H28N2O4

>  <Compd ID> (66)
BB-01-171

>  <Brand> (66)
DDP

>  <Mol_Weight> (66)
348.437

>  <Exact_Mass> (66)
348.205

>  <Chemical_Name> (66)
tert-butyl 7-(((3-ethoxy-3-oxopropyl)amino)methyl)indoline-1-carboxylate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  6  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
M  END
>  <Formula> (67)
C9H9NS

>  <Compd ID> (67)
BB-01-177

>  <Brand> (67)
DDP

>  <CAS #> (67)
864264-04-0

>  <Mol_Weight> (67)
163.239

>  <Exact_Mass> (67)
163.046

>  <Chemical_Name> (67)
benzo[b]thiophen-4-ylmethanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  6  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 15  1  0        0
M  END
>  <Formula> (68)
C17H17NS

>  <Compd ID> (68)
BB-01-178

>  <Brand> (68)
DDP

>  <Mol_Weight> (68)
267.389

>  <Exact_Mass> (68)
267.108

>  <Chemical_Name> (68)
N-(benzo[b]thiophen-4-ylmethyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  6  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  2  0        0
 15 17  1  0        0
 17 18  1  0        0
M  END
>  <Formula> (69)
C14H17NO2S

>  <Compd ID> (69)
BB-01-179

>  <Brand> (69)
DDP

>  <Mol_Weight> (69)
263.355

>  <Exact_Mass> (69)
263.098

>  <Chemical_Name> (69)
ethyl 3-((benzo[b]thiophen-4-ylmethyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.3213  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0023  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3213  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6402  -22.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6402  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0910  -19.6365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4716  -18.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9569  -18.4043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2314  -16.9290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6834  -20.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.9502  -15.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -14.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5064  -13.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8741  -15.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4304  -12.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4699  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2298  -14.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  1  2  1  0        0
  2 12  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  6  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
  9 11  1  0        0
 11 18  1  0        0
M  END
>  <Formula> (70)
C13H17N3O2S

>  <Compd ID> (70)
BB-01-185

>  <Brand> (70)
DDP

>  <Mol_Weight> (70)
279.358

>  <Exact_Mass> (70)
279.104

>  <Chemical_Name> (70)
tert-butyl (4-(aminomethyl)benzo[d]thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 27 29  0  0  0  0  0  0  0  0999 V2000
   30.3213  -20.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0023  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3213  -22.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6402  -22.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -22.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -20.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6402  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0910  -19.6365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4716  -18.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9569  -18.4043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2314  -16.9290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6834  -20.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3672  -19.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0510  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7321  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4131  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7321  -18.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4131  -17.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0942  -18.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0942  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9502  -15.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -14.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5064  -13.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8741  -15.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4304  -12.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4699  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2298  -14.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0        0
 22 23  1  0        0
 22 24  1  0        0
 22 25  1  0        0
 26 27  2  0        0
 21 26  1  0        0
  1  2  1  0        0
  2 12  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  6  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
  9 11  1  0        0
 11 26  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 15 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 16  1  0        0
M  END
>  <Formula> (71)
C21H25N3O2S

>  <Compd ID> (71)
BB-01-186

>  <Brand> (71)
DDP

>  <Mol_Weight> (71)
383.507

>  <Exact_Mass> (71)
383.167

>  <Chemical_Name> (71)
tert-butyl (4-((phenethylamino)methyl)benzo[d]thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 26 27  0  0  0  0  0  0  0  0999 V2000
   30.3213  -20.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0023  -19.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3213  -22.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6403  -22.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -22.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -20.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6403  -19.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0910  -19.6365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4716  -18.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9569  -18.4043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2315  -16.9290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6834  -20.6556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3672  -19.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0510  -20.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7321  -19.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4131  -20.6556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7321  -18.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0970  -19.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7808  -20.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9502  -15.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -14.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5064  -13.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8741  -15.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4304  -12.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4699  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2298  -14.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0        0
 21 22  1  0        0
 21 23  1  0        0
 21 24  1  0        0
 25 26  2  0        0
 20 25  1  0        0
  1  2  1  0        0
  2 12  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  6  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
  9 11  1  0        0
 11 25  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 15 17  2  0        0
 16 18  1  0        0
 18 19  1  0        0
M  END
>  <Formula> (72)
C18H25N3O4S

>  <Compd ID> (72)
BB-01-187

>  <Brand> (72)
DDP

>  <Mol_Weight> (72)
379.474

>  <Exact_Mass> (72)
379.157

>  <Chemical_Name> (72)
ethyl 3-(((2-((tert-butoxycarbonyl)amino)benzo[d]thiazol-4-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2518  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8263  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7716  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  7  1  2  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10  6  2  0        0
  8 11  1  0        0
  9 12  1  0        0
M  END
>  <Formula> (73)
C10H13N3

>  <Compd ID> (73)
BB-01-193

>  <Brand> (73)
DDP

>  <Mol_Weight> (73)
175.23

>  <Exact_Mass> (73)
175.111

>  <Chemical_Name> (73)
(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methanamine

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2518  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8263  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7716  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  7  1  2  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10  6  2  0        0
  8 11  1  0        0
  9 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 16 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 17  1  0        0
M  END
>  <Formula> (74)
C18H21N3

>  <Compd ID> (74)
BB-01-194

>  <Brand> (74)
DDP

>  <Mol_Weight> (74)
279.379

>  <Exact_Mass> (74)
279.174

>  <Chemical_Name> (74)
N-((2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2518  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8263  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7716  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  7  1  2  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10  6  2  0        0
  8 11  1  0        0
  9 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 16 18  2  0        0
 17 19  1  0        0
 19 20  1  0        0
M  END
>  <Formula> (75)
C15H21N3O2

>  <Compd ID> (75)
BB-01-195

>  <Brand> (75)
DDP

>  <Mol_Weight> (75)
275.346

>  <Exact_Mass> (75)
275.163

>  <Chemical_Name> (75)
ethyl 3-(((2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  6  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  7  1  0        0
M  END
>  <Formula> (76)
C10H10N2

>  <Compd ID> (76)
BB-01-201

>  <Brand> (76)
DDP

>  <CAS #> (76)
15402-71-8

>  <Mol_Weight> (76)
158.2

>  <Exact_Mass> (76)
158.084

>  <Chemical_Name> (76)
quinolin-8-ylmethanamine

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  6  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  7  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 15 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 16  1  0        0
M  END
>  <Formula> (77)
C18H18N2

>  <Compd ID> (77)
BB-01-202

>  <Brand> (77)
DDP

>  <Mol_Weight> (77)
262.349

>  <Exact_Mass> (77)
262.147

>  <Chemical_Name> (77)
2-phenyl-N-(quinolin-8-ylmethyl)ethanamine

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  6  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  7  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 15 17  2  0        0
 16 18  1  0        0
 18 19  1  0        0
M  END
>  <Formula> (78)
C15H18N2O2

>  <Compd ID> (78)
BB-01-203

>  <Brand> (78)
DDP

>  <Mol_Weight> (78)
258.316

>  <Exact_Mass> (78)
258.137

>  <Chemical_Name> (78)
ethyl 3-((quinolin-8-ylmethyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5433  -19.6286    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  6  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  7  1  0        0
  8 12  1  0        0
M  END
>  <Formula> (79)
C10H9BrN2

>  <Compd ID> (79)
BB-01-209

>  <Brand> (79)
DDP

>  <Mol_Weight> (79)
237.096

>  <Exact_Mass> (79)
235.995

>  <Chemical_Name> (79)
(8-bromoquinolin-4-yl)methanamine

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5433  -19.6286    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  6  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  7  1  0        0
  8 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 16 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 17  1  0        0
M  END
>  <Formula> (80)
C18H17BrN2

>  <Compd ID> (80)
BB-01-210

>  <Brand> (80)
DDP

>  <Mol_Weight> (80)
341.245

>  <Exact_Mass> (80)
340.058

>  <Chemical_Name> (80)
N-((8-bromoquinolin-4-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2272  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2272  -17.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5433  -19.6286    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 13  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  6  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  7  1  0        0
  8 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 16 18  2  0        0
 17 19  1  0        0
 19 20  1  0        0
M  END
>  <Formula> (81)
C15H17BrN2O2

>  <Compd ID> (81)
BB-01-211

>  <Brand> (81)
DDP

>  <Mol_Weight> (81)
337.212

>  <Exact_Mass> (81)
336.047

>  <Chemical_Name> (81)
ethyl 3-(((8-bromoquinolin-4-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  4  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  5  1  0        0
M  END
>  <Formula> (82)
C9H9N3

>  <Compd ID> (82)
BB-01-217

>  <Brand> (82)
DDP

>  <CAS #> (82)
885270-90-6

>  <Mol_Weight> (82)
159.188

>  <Exact_Mass> (82)
159.08

>  <Chemical_Name> (82)
(1,8-naphthyridin-2-yl)methanamine

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  4  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  5  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 15 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 16  1  0        0
M  END
>  <Formula> (83)
C17H17N3

>  <Compd ID> (83)
BB-01-218

>  <Brand> (83)
DDP

>  <Mol_Weight> (83)
263.337

>  <Exact_Mass> (83)
263.142

>  <Chemical_Name> (83)
N-((1,8-naphthyridin-2-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  4  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  5  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 15 17  2  0        0
 16 18  1  0        0
 18 19  1  0        0
M  END
>  <Formula> (84)
C14H17N3O2

>  <Compd ID> (84)
BB-01-219

>  <Brand> (84)
DDP

>  <Mol_Weight> (84)
259.304

>  <Exact_Mass> (84)
259.132

>  <Chemical_Name> (84)
ethyl 3-(((1,8-naphthyridin-2-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -24.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -25.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -25.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  4  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11  5  1  0        0
  8 18  1  0        0
M  END
>  <Formula> (85)
C14H21N3O2

>  <Compd ID> (85)
BB-01-225

>  <Brand> (85)
DDP

>  <CAS #> (85)
886362-43-2

>  <Mol_Weight> (85)
263.335

>  <Exact_Mass> (85)
263.163

>  <Chemical_Name> (85)
tert-butyl 7-(aminomethyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate

$$$$

csCF1200/ 02271116062D

 27 29  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -24.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -25.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -25.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0        0
 22 23  1  0        0
 22 24  1  0        0
 22 25  1  0        0
 26 27  2  0        0
 21 26  1  0        0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  4  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11  5  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 15 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 16  1  0        0
  8 26  1  0        0
M  END
>  <Formula> (86)
C22H29N3O2

>  <Compd ID> (86)
BB-01-226

>  <Brand> (86)
DDP

>  <Mol_Weight> (86)
367.485

>  <Exact_Mass> (86)
367.226

>  <Chemical_Name> (86)
tert-butyl 7-((phenethylamino)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate

$$$$

csCF1200/ 02271116062D

 26 27  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -24.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -25.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -25.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0        0
 21 22  1  0        0
 21 23  1  0        0
 21 24  1  0        0
 25 26  2  0        0
 20 25  1  0        0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  4  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11  5  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 15 17  2  0        0
 16 18  1  0        0
 18 19  1  0        0
  8 25  1  0        0
M  END
>  <Formula> (87)
C19H29N3O4

>  <Compd ID> (87)
BB-01-227

>  <Brand> (87)
DDP

>  <Mol_Weight> (87)
363.451

>  <Exact_Mass> (87)
363.216

>  <Chemical_Name> (87)
tert-butyl 7-(((3-ethoxy-3-oxopropyl)amino)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  4  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  5  1  0        0
M  END
>  <Formula> (88)
C9H9N3

>  <Compd ID> (88)
BB-01-233

>  <Brand> (88)
DDP

>  <CAS #> (88)
131052-78-3

>  <Mol_Weight> (88)
159.188

>  <Exact_Mass> (88)
159.08

>  <Chemical_Name> (88)
quinoxalin-2-ylmethanamine

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  4  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  5  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 15 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 16  1  0        0
M  END
>  <Formula> (89)
C17H17N3

>  <Compd ID> (89)
BB-01-234

>  <Brand> (89)
DDP

>  <Mol_Weight> (89)
263.337

>  <Exact_Mass> (89)
263.142

>  <Chemical_Name> (89)
2-phenyl-N-(quinoxalin-2-ylmethyl)ethanamine

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  4  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  5  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 15 17  2  0        0
 16 18  1  0        0
 18 19  1  0        0
M  END
>  <Formula> (90)
C14H17N3O2

>  <Compd ID> (90)
BB-01-235

>  <Brand> (90)
DDP

>  <Mol_Weight> (90)
259.304

>  <Exact_Mass> (90)
259.132

>  <Chemical_Name> (90)
ethyl 3-((quinoxalin-2-ylmethyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1812  -21.1548    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 15  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 12 14  1  0        0
M  END
>  <Formula> (91)
C13H12BrN

>  <Compd ID> (91)
BB-01-241

>  <Brand> (91)
DDP

>  <Mol_Weight> (91)
262.145

>  <Exact_Mass> (91)
261.015

>  <Chemical_Name> (91)
(3'-bromo-[1,1'-biphenyl]-4-yl)methanamine

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1812  -21.1548    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 15  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 12 14  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  2  0        0
 18 20  1  0        0
 20 21  2  0        0
 21 22  1  0        0
 22 23  2  0        0
 23 19  1  0        0
M  END
>  <Formula> (92)
C21H20BrN

>  <Compd ID> (92)
BB-01-242

>  <Brand> (92)
DDP

>  <Mol_Weight> (92)
366.294

>  <Exact_Mass> (92)
365.078

>  <Chemical_Name> (92)
N-((3'-bromo-[1,1'-biphenyl]-4-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2272  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2272  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1812  -21.1548    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 15  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 12 14  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 18 20  2  0        0
 19 21  1  0        0
 21 22  1  0        0
M  END
>  <Formula> (93)
C18H20BrNO2

>  <Compd ID> (93)
BB-01-243

>  <Brand> (93)
DDP

>  <Mol_Weight> (93)
362.261

>  <Exact_Mass> (93)
361.068

>  <Chemical_Name> (93)
ethyl 3-(((3'-bromo-[1,1'-biphenyl]-4-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
M  END
>  <Formula> (94)
C12H12N2

>  <Compd ID> (94)
BB-01-249

>  <Brand> (94)
DDP

>  <CAS #> (94)
294647-97-5

>  <Mol_Weight> (94)
184.237

>  <Exact_Mass> (94)
184.1

>  <Chemical_Name> (94)
(4-(pyridin-2-yl)phenyl)methanamine

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  2  0        0
 17 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 18  1  0        0
M  END
>  <Formula> (95)
C20H20N2

>  <Compd ID> (95)
BB-01-250

>  <Brand> (95)
DDP

>  <Mol_Weight> (95)
288.386

>  <Exact_Mass> (95)
288.163

>  <Chemical_Name> (95)
2-phenyl-N-(4-(pyridin-2-yl)benzyl)ethanamine

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 17 19  2  0        0
 18 20  1  0        0
 20 21  1  0        0
M  END
>  <Formula> (96)
C17H20N2O2

>  <Compd ID> (96)
BB-01-251

>  <Brand> (96)
DDP

>  <Mol_Weight> (96)
284.353

>  <Exact_Mass> (96)
284.152

>  <Chemical_Name> (96)
ethyl 3-((4-(pyridin-2-yl)benzyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
M  END
>  <Formula> (97)
C11H11N3

>  <Compd ID> (97)
BB-01-257

>  <Brand> (97)
DDP

>  <Mol_Weight> (97)
185.225

>  <Exact_Mass> (97)
185.095

>  <Chemical_Name> (97)
(4-(pyrimidin-5-yl)phenyl)methanamine

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  2  0        0
 17 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 18  1  0        0
M  END
>  <Formula> (98)
C19H19N3

>  <Compd ID> (98)
BB-01-258

>  <Brand> (98)
DDP

>  <Mol_Weight> (98)
289.374

>  <Exact_Mass> (98)
289.158

>  <Chemical_Name> (98)
2-phenyl-N-(4-(pyrimidin-5-yl)benzyl)ethanamine

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7298  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2 14  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 17 19  2  0        0
 18 20  1  0        0
 20 21  1  0        0
M  END
>  <Formula> (99)
C16H19N3O2

>  <Compd ID> (99)
BB-01-259

>  <Brand> (99)
DDP

>  <Mol_Weight> (99)
285.341

>  <Exact_Mass> (99)
285.148

>  <Chemical_Name> (99)
ethyl 3-((4-(pyrimidin-5-yl)benzyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.6855  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9240  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6855  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9700  -20.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4343  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.2751  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6664  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9589  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6428  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -22.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7775  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3005  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -23.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4930  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -19.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0        0
 13 14  1  0        0
 13 15  1  0        0
 13 16  1  0        0
 17 18  2  0        0
 12 17  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  5 17  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (100)
C13H20N2O2S

>  <Compd ID> (100)
BB-01-265

>  <Brand> (100)
DDP

>  <Mol_Weight> (100)
268.375

>  <Exact_Mass> (100)
268.125

>  <Chemical_Name> (100)
tert-butyl 2-(aminomethyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 26 28  0  0  0  0  0  0  0  0999 V2000
   30.6855  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9240  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6855  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9700  -20.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4343  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.2751  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6665  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9590  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6428  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3266  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0104  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6915  -18.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3725  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0563  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6887  -16.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3725  -15.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0563  -16.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -22.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7775  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3005  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -23.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4930  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -19.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0        0
 21 22  1  0        0
 21 23  1  0        0
 21 24  1  0        0
 25 26  2  0        0
 20 25  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  5 25  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 14 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 16  1  0        0
M  END
>  <Formula> (101)
C21H28N2O2S

>  <Compd ID> (101)
BB-01-266

>  <Brand> (101)
DDP

>  <Mol_Weight> (101)
372.524

>  <Exact_Mass> (101)
372.187

>  <Chemical_Name> (101)
tert-butyl 2-((phenethylamino)methyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 25 26  0  0  0  0  0  0  0  0999 V2000
   30.6855  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9240  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6855  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9700  -20.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4343  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.2751  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6665  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9590  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6428  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3266  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0104  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6915  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3725  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0563  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6915  -16.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7402  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -22.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7775  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3005  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -23.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4930  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -19.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  5 24  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 14 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (102)
C18H28N2O4S

>  <Compd ID> (102)
BB-01-267

>  <Brand> (102)
DDP

>  <Mol_Weight> (102)
368.491

>  <Exact_Mass> (102)
368.177

>  <Chemical_Name> (102)
tert-butyl 2-(((3-ethoxy-3-oxopropyl)amino)methyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   31.9806  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2191  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9806  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2651  -20.6811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7294  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.5702  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9615  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9379  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (103)
C8H11NOS

>  <Compd ID> (103)
BB-01-273

>  <Brand> (103)
DDP

>  <Mol_Weight> (103)
169.244

>  <Exact_Mass> (103)
169.056

>  <Chemical_Name> (103)
(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   31.9806  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2191  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9806  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2651  -20.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7294  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.5702  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9615  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9379  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6217  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3055  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9866  -18.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6676  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3514  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9838  -16.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6676  -15.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3514  -16.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 14 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 16  1  0        0
M  END
>  <Formula> (104)
C16H19NOS

>  <Compd ID> (104)
BB-01-274

>  <Brand> (104)
DDP

>  <Mol_Weight> (104)
273.393

>  <Exact_Mass> (104)
273.119

>  <Chemical_Name> (104)
N-((6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   31.9806  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2191  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9806  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2651  -20.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7294  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.5702  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9615  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9379  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6217  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3055  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9866  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6676  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3514  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9866  -16.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0353  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 14 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (105)
C13H19NO3S

>  <Compd ID> (105)
BB-01-275

>  <Brand> (105)
DDP

>  <Mol_Weight> (105)
269.36

>  <Exact_Mass> (105)
269.109

>  <Chemical_Name> (105)
ethyl 3-(((6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   32.0024  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2409  -20.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0024  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2869  -20.6811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7512  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5920  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9834  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9597  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  3  2  0        0
  8 10  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (106)
C7H11N3S

>  <Compd ID> (106)
BB-01-281

>  <Brand> (106)
DDP

>  <Mol_Weight> (106)
169.247

>  <Exact_Mass> (106)
169.067

>  <Chemical_Name> (106)
(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-2-yl)methanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   32.0025  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2410  -20.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0025  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2869  -20.6812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7512  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5920  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9834  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9597  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6435  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3273  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0084  -18.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6894  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3733  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0056  -16.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6894  -15.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3733  -16.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  3  2  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 14 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 16  1  0        0
M  END
>  <Formula> (107)
C15H19N3S

>  <Compd ID> (107)
BB-01-282

>  <Brand> (107)
DDP

>  <Mol_Weight> (107)
273.396

>  <Exact_Mass> (107)
273.13

>  <Chemical_Name> (107)
N-((6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-2-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   32.0025  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2410  -20.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0025  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2869  -20.6812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7512  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5920  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9834  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9597  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6435  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3273  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0084  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6894  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3733  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0084  -16.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0571  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  3  2  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 14 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (108)
C12H19N3O2S

>  <Compd ID> (108)
BB-01-283

>  <Brand> (108)
DDP

>  <Mol_Weight> (108)
269.363

>  <Exact_Mass> (108)
269.12

>  <Chemical_Name> (108)
ethyl 3-(((6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-2-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   32.9055  -19.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1440  -18.4021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.8865  -20.8529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.4951  -20.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6543  -18.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9055  -17.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4285  -17.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1900  -18.4021    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.4285  -19.7210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3354  -17.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0164  -18.7187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
  5 10  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (109)
C7H11N3S

>  <Compd ID> (109)
BB-01-289

>  <Brand> (109)
DDP

>  <Mol_Weight> (109)
169.247

>  <Exact_Mass> (109)
169.067

>  <Chemical_Name> (109)
(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)methanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0755  -18.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1242  -17.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1214  -16.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -15.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -16.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6079  -18.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0786  -17.4539    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.0595  -16.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5697  -16.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  1  0        0
  4  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 10 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 12  1  0        0
  2 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19  5  1  0        0
M  END
>  <Formula> (110)
C15H19N3S

>  <Compd ID> (110)
BB-01-290

>  <Brand> (110)
DDP

>  <Mol_Weight> (110)
273.396

>  <Exact_Mass> (110)
273.13

>  <Chemical_Name> (110)
N-((6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   35.6759  -20.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9144  -19.6707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.6568  -22.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.2655  -21.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4247  -19.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6759  -18.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1989  -18.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9604  -19.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   37.1989  -20.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1057  -19.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7867  -19.9874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.4678  -19.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1488  -19.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8299  -19.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5109  -19.9874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1920  -19.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8730  -19.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8299  -17.7061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
  5 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 14 18  2  0        0
M  END
>  <Formula> (111)
C12H19N3O2S

>  <Compd ID> (111)
BB-01-291

>  <Brand> (111)
DDP

>  <Mol_Weight> (111)
269.363

>  <Exact_Mass> (111)
269.12

>  <Chemical_Name> (111)
ethyl 3-(((6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
M  END
>  <Formula> (112)
C8H13N3

>  <Compd ID> (112)
BB-01-297

>  <Brand> (112)
DDP

>  <Mol_Weight> (112)
151.209

>  <Exact_Mass> (112)
151.111

>  <Chemical_Name> (112)
(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -18.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1214  -16.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -15.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -16.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 14 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 16  1  0        0
M  END
>  <Formula> (113)
C16H21N3

>  <Compd ID> (113)
BB-01-298

>  <Brand> (113)
DDP

>  <Mol_Weight> (113)
255.358

>  <Exact_Mass> (113)
255.174

>  <Chemical_Name> (113)
2-phenyl-N-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl)ethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -18.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -16.5686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1728  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 14 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (114)
C13H21N3O2

>  <Compd ID> (114)
BB-01-299

>  <Brand> (114)
DDP

>  <Mol_Weight> (114)
251.325

>  <Exact_Mass> (114)
251.163

>  <Chemical_Name> (114)
ethyl 3-(((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
M  END
>  <Formula> (115)
C7H11N3O

>  <Compd ID> (115)
BB-01-305

>  <Brand> (115)
DDP

>  <Mol_Weight> (115)
153.182

>  <Exact_Mass> (115)
153.09

>  <Chemical_Name> (115)
(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -17.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1214  -16.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -15.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -16.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 14 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 16  1  0        0
M  END
>  <Formula> (116)
C15H19N3O

>  <Compd ID> (116)
BB-01-306

>  <Brand> (116)
DDP

>  <Mol_Weight> (116)
257.331

>  <Exact_Mass> (116)
257.153

>  <Chemical_Name> (116)
N-((6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -17.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -16.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1728  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 14 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (117)
C12H19N3O3

>  <Compd ID> (117)
BB-01-307

>  <Brand> (117)
DDP

>  <Mol_Weight> (117)
253.298

>  <Exact_Mass> (117)
253.143

>  <Chemical_Name> (117)
ethyl 3-(((6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
M  END
>  <Formula> (118)
C7H11N3S

>  <Compd ID> (118)
BB-01-313

>  <Brand> (118)
DDP

>  <Mol_Weight> (118)
169.247

>  <Exact_Mass> (118)
169.067

>  <Chemical_Name> (118)
(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-yl)methanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -17.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1214  -16.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -15.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -16.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 14 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 16  1  0        0
M  END
>  <Formula> (119)
C15H19N3S

>  <Compd ID> (119)
BB-01-314

>  <Brand> (119)
DDP

>  <Mol_Weight> (119)
273.396

>  <Exact_Mass> (119)
273.13

>  <Chemical_Name> (119)
N-((6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -17.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -16.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1728  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 14 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (120)
C12H19N3O2S

>  <Compd ID> (120)
BB-01-315

>  <Brand> (120)
DDP

>  <Mol_Weight> (120)
269.363

>  <Exact_Mass> (120)
269.12

>  <Chemical_Name> (120)
ethyl 3-(((6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   30.7031  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -18.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2134  -19.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0542  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4455  -17.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -18.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -21.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -21.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4218  -18.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7031  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -25.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -23.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -22.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2721  -22.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 12 17  1  0        0
 16 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  9 20  1  0        0
  6 11  1  0        0
M  END
>  <Formula> (121)
C15H18N4O2

>  <Compd ID> (121)
BB-01-321

>  <Brand> (121)
DDP

>  <Mol_Weight> (121)
286.329

>  <Exact_Mass> (121)
286.143

>  <Chemical_Name> (121)
benzyl 2-(aminomethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 29 32  0  0  0  0  0  0  0  0999 V2000
   30.7031  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -18.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2134  -19.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0542  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4455  -17.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -18.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -21.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -21.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4218  -18.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1057  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7895  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4705  -17.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1516  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8354  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4677  -15.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1516  -15.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8354  -15.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7031  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -25.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -23.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -22.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2721  -22.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  2  0        0
 21 22  1  0        0
 22 23  2  0        0
 23 24  1  0        0
 24 25  2  0        0
 20 25  1  0        0
 24 26  1  0        0
 26 27  1  0        0
 27 28  1  0        0
 28 29  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  9 28  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 14 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 16  1  0        0
M  END
>  <Formula> (122)
C23H26N4O2

>  <Compd ID> (122)
BB-01-322

>  <Brand> (122)
DDP

>  <Mol_Weight> (122)
390.478

>  <Exact_Mass> (122)
390.206

>  <Chemical_Name> (122)
benzyl 2-((phenethylamino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 28 30  0  0  0  0  0  0  0  0999 V2000
   30.7031  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -18.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2134  -19.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0542  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4455  -17.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -18.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -21.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -21.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4218  -18.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1057  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7895  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4705  -17.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1516  -18.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8354  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4705  -15.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5192  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7031  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -25.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -23.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -22.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2721  -22.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 23  1  0        0
 23 24  2  0        0
 19 24  1  0        0
 23 25  1  0        0
 25 26  1  0        0
 26 27  1  0        0
 27 28  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  9 27  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 14 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (123)
C20H26N4O4

>  <Compd ID> (123)
BB-01-323

>  <Brand> (123)
DDP

>  <Mol_Weight> (123)
386.445

>  <Exact_Mass> (123)
386.195

>  <Chemical_Name> (123)
benzyl 2-(((3-ethoxy-3-oxopropyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   31.8437  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -19.1478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3539  -20.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1947  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5861  -18.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1281  -19.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8897  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1281  -21.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -21.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5624  -18.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
M  END
>  <Formula> (124)
C7H11N3O

>  <Compd ID> (124)
BB-01-329

>  <Brand> (124)
DDP

>  <Mol_Weight> (124)
153.182

>  <Exact_Mass> (124)
153.09

>  <Chemical_Name> (124)
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanamine

$$$$

csCF1200/ 02271116062D

 19 21  0  0  0  0  0  0  0  0999 V2000
   31.8437  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -19.1478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3539  -20.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1947  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5861  -18.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1282  -19.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8897  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1282  -21.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -21.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5624  -18.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2462  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9301  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6111  -17.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2921  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9760  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6083  -16.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2921  -15.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9760  -16.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 14 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 16  1  0        0
M  END
>  <Formula> (125)
C15H19N3O

>  <Compd ID> (125)
BB-01-330

>  <Brand> (125)
DDP

>  <Mol_Weight> (125)
257.331

>  <Exact_Mass> (125)
257.153

>  <Chemical_Name> (125)
N-((6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   31.8437  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -19.1478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3539  -20.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1947  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5861  -18.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1282  -19.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8897  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1282  -21.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -21.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5624  -18.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2462  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9301  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6111  -17.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2921  -18.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9760  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6111  -16.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6598  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 14 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (126)
C12H19N3O3

>  <Compd ID> (126)
BB-01-331

>  <Brand> (126)
DDP

>  <Mol_Weight> (126)
253.298

>  <Exact_Mass> (126)
253.143

>  <Chemical_Name> (126)
ethyl 3-(((6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   29.3284  -28.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8054  -28.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3348  -29.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5669  -30.4308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.7991  -29.5356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2217  -26.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7364  -27.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6316  -25.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0121  -24.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4975  -24.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6023  -25.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9054  -23.1638    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.4865  -27.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1703  -28.0855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  2 13  1  0        0
 13 14  1  0        0
M  END
>  <Formula> (127)
C10H10FN3

>  <Compd ID> (127)
BB-01-337

>  <Brand> (127)
DDP

>  <Mol_Weight> (127)
191.205

>  <Exact_Mass> (127)
191.086

>  <Chemical_Name> (127)
(3-(4-fluorophenyl)-1H-pyrazol-4-yl)methanamine

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   34.7181  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1951  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7245  -22.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9566  -23.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1887  -22.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.6114  -19.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1261  -19.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0213  -18.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4018  -17.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8872  -16.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9920  -18.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2951  -15.8835    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   31.8762  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5600  -20.8052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2438  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9277  -20.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6087  -20.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2897  -20.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9736  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6059  -18.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2897  -17.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9736  -18.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  2 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  2  0        0
 17 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 19  1  0        0
M  END
>  <Formula> (128)
C18H18FN3

>  <Compd ID> (128)
BB-01-338

>  <Brand> (128)
DDP

>  <Mol_Weight> (128)
295.354

>  <Exact_Mass> (128)
295.148

>  <Chemical_Name> (128)
N-((3-(4-fluorophenyl)-1H-pyrazol-4-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   34.7181  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1951  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7245  -22.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9566  -23.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1887  -22.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.6114  -19.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1261  -19.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0213  -18.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4018  -17.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8872  -16.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9920  -18.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2951  -15.8835    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   31.8762  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5600  -20.8052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2438  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9276  -20.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6087  -20.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2897  -20.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9736  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6087  -18.5239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6574  -20.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  2 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 17 20  2  0        0
 19 21  1  0        0
M  END
>  <Formula> (129)
C15H18FN3O2

>  <Compd ID> (129)
BB-01-339

>  <Brand> (129)
DDP

>  <Mol_Weight> (129)
291.321

>  <Exact_Mass> (129)
291.138

>  <Chemical_Name> (129)
ethyl 3-(((3-(4-fluorophenyl)-1H-pyrazol-4-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   32.0562  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5332  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0626  -24.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2947  -23.9554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.5269  -24.8506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9495  -27.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4642  -27.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3594  -28.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7399  -29.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2253  -30.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3301  -28.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6332  -31.2224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.7436  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4275  -24.8490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
M  END
>  <Formula> (130)
C10H10FN3

>  <Compd ID> (130)
BB-01-345

>  <Brand> (130)
DDP

>  <Mol_Weight> (130)
191.205

>  <Exact_Mass> (130)
191.086

>  <Chemical_Name> (130)
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)methanamine

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   32.0562  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5332  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0626  -24.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2947  -23.9554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.5269  -24.8507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9495  -27.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4642  -27.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3594  -28.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7399  -29.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2253  -30.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3301  -28.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6332  -31.2224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.7436  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4275  -24.8490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1113  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7951  -24.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4762  -24.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1572  -24.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8410  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4734  -22.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1572  -21.8095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8410  -22.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  2  0        0
 17 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 19  1  0        0
M  END
>  <Formula> (131)
C18H18FN3

>  <Compd ID> (131)
BB-01-346

>  <Brand> (131)
DDP

>  <Mol_Weight> (131)
295.354

>  <Exact_Mass> (131)
295.148

>  <Chemical_Name> (131)
N-((3-(4-fluorophenyl)-1H-pyrazol-5-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   32.0562  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5332  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0626  -24.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2947  -23.9554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.5269  -24.8507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9495  -27.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4642  -27.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3594  -28.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7399  -29.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2253  -30.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3301  -28.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6332  -31.2224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.7436  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4275  -24.8490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1113  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7951  -24.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4762  -24.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1572  -24.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8410  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4762  -22.5678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5249  -24.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 17 20  2  0        0
 19 21  1  0        0
M  END
>  <Formula> (132)
C15H18FN3O2

>  <Compd ID> (132)
BB-01-347

>  <Brand> (132)
DDP

>  <Mol_Weight> (132)
291.321

>  <Exact_Mass> (132)
291.138

>  <Chemical_Name> (132)
ethyl 3-(((3-(4-fluorophenyl)-1H-pyrazol-5-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   29.8154  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8154  -20.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -18.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -21.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4046  -18.2890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   25.8641  -21.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  3  7  1  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 11 14  1  0        0
  7 15  1  0        0
M  END
>  <Formula> (133)
C12H11FN2

>  <Compd ID> (133)
BB-01-353

>  <Brand> (133)
DDP

>  <Mol_Weight> (133)
202.228

>  <Exact_Mass> (133)
202.091

>  <Chemical_Name> (133)
(6-(4-fluorophenyl)pyridin-2-yl)methanamine

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   29.8154  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8154  -20.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -18.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -21.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4046  -18.2890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   25.8641  -21.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5479  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2317  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9128  -20.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5938  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2777  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9100  -19.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5938  -18.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2777  -19.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  3  7  1  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 11 14  1  0        0
  7 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  2  0        0
 18 21  2  0        0
 21 22  1  0        0
 22 23  2  0        0
 23 20  1  0        0
M  END
>  <Formula> (134)
C20H19FN2

>  <Compd ID> (134)
BB-01-354

>  <Brand> (134)
DDP

>  <Mol_Weight> (134)
306.377

>  <Exact_Mass> (134)
306.153

>  <Chemical_Name> (134)
N-((6-(4-fluorophenyl)pyridin-2-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   29.8154  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8154  -20.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -18.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -21.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4046  -18.2890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   25.8641  -21.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5479  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2317  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9128  -20.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5938  -21.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2777  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9128  -19.0505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9615  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  3  7  1  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 11 14  1  0        0
  7 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 18 21  2  0        0
 20 22  1  0        0
M  END
>  <Formula> (135)
C17H19FN2O2

>  <Compd ID> (135)
BB-01-355

>  <Brand> (135)
DDP

>  <Mol_Weight> (135)
302.343

>  <Exact_Mass> (135)
302.143

>  <Chemical_Name> (135)
ethyl 3-(((6-(4-fluorophenyl)pyridin-2-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   29.8958  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3728  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9022  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1343  -19.4589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.3664  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8118  -19.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1285  -18.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5769  -17.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7088  -18.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3921  -20.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9436  -20.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1542  -18.4735    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2670  -20.3525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
M  END
>  <Formula> (136)
C11H10FNS

>  <Compd ID> (136)
BB-01-361

>  <Brand> (136)
DDP

>  <Mol_Weight> (136)
207.267

>  <Exact_Mass> (136)
207.052

>  <Chemical_Name> (136)
(5-(4-fluorophenyl)thiophen-2-yl)methanamine

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   29.8958  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3728  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9022  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1343  -19.4589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.3664  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8118  -19.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1285  -18.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5769  -17.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7088  -18.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3921  -20.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9436  -20.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1542  -18.4735    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2670  -20.3525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9509  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6347  -20.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3157  -19.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9968  -20.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6806  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3130  -18.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9968  -17.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6806  -18.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  2  0        0
 17 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 19  1  0        0
M  END
>  <Formula> (137)
C19H18FNS

>  <Compd ID> (137)
BB-01-362

>  <Brand> (137)
DDP

>  <Mol_Weight> (137)
311.416

>  <Exact_Mass> (137)
311.114

>  <Chemical_Name> (137)
N-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-2-phenylethanamine

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   29.8958  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3728  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9022  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1343  -19.4589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.3664  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8118  -19.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1285  -18.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5769  -17.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7088  -18.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3921  -20.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9436  -20.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1542  -18.4735    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2670  -20.3525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9509  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6347  -20.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3157  -19.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9968  -20.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6806  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3157  -18.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3644  -20.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
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  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
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  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 17 20  2  0        0
 19 21  1  0        0
M  END
>  <Formula> (138)
C16H18FNO2S

>  <Compd ID> (138)
BB-01-363

>  <Brand> (138)
DDP

>  <Mol_Weight> (138)
307.383

>  <Exact_Mass> (138)
307.104

>  <Chemical_Name> (138)
ethyl 3-(((5-(4-fluorophenyl)thiophen-2-yl)methyl)amino)propanoate

$$$$

csCF1200/ 02271116062D

 12 14  0  0  0  0  0  0  0  0999 V2000
   32.5007  -19.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5007  -20.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5776  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.5007  -21.4232    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.5007  -22.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1817  -20.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1817  -18.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -19.5848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  2  4  1  0        0
  3  5  1  0        0
  5  6  1  0        0
  4  6  1  0        0
  4  7  1  0        0
  5  8  1  0        0
  1  9  1  0        0
  9 10  1  0        0
 10  8  1  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  2  0        0
M  END
>  <Formula> (139)
C11H16O

>  <Compd ID> (139)
BB-02-001

>  <Brand> (139)
DDP

>  <CAS #> (139)
2094-74-8

>  <Mol_Weight> (139)
164.244

>  <Exact_Mass> (139)
164.12

>  <Chemical_Name> (139)
(1s,3s)-adamantane-1-carbaldehyde

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.1048  -21.0284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -19.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7859  -18.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5533  -21.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4485  -20.2670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5533  -19.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8753  -21.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7859  -17.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  1  7  1  0        0
  3  8  2  0        0
M  END
>  <Formula> (140)
C5H6N2O

>  <Compd ID> (140)
BB-02-009

>  <Brand> (140)
DDP

>  <CAS #> (140)
39021-62-0

>  <Mol_Weight> (140)
110.114

>  <Exact_Mass> (140)
110.048

>  <Chemical_Name> (140)
1-methyl-1H-imidazole-5-carbaldehyde

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.1048  -21.1078    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7859  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5533  -21.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4485  -20.3463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5533  -19.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0229  -17.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7859  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  6  7  1  0        0
  3  8  2  0        0
M  END
>  <Formula> (141)
C5H5NOS

>  <Compd ID> (141)
BB-02-017

>  <Brand> (141)
DDP

>  <CAS #> (141)
82294-70-0

>  <Mol_Weight> (141)
127.164

>  <Exact_Mass> (141)
127.009

>  <Chemical_Name> (141)
4-methylthiazole-5-carbaldehyde

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.1048  -21.1078    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7859  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5533  -21.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4485  -20.3463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5533  -19.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0229  -23.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7859  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  3  8  2  0        0
M  END
>  <Formula> (142)
C5H5NOS

>  <Compd ID> (142)
BB-02-025

>  <Brand> (142)
DDP

>  <CAS #> (142)
1003-60-7

>  <Mol_Weight> (142)
127.164

>  <Exact_Mass> (142)
127.009

>  <Chemical_Name> (142)
2-methylthiazole-5-carbaldehyde

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.1048  -21.1078    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7859  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5533  -21.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4485  -20.3463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5533  -19.1141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0229  -23.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7859  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  3  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  3  8  2  0        0
M  END
>  <Formula> (143)
C4H4N2OS

>  <Compd ID> (143)
BB-02-033

>  <Brand> (143)
DDP

>  <CAS #> (143)
61018-49-3

>  <Mol_Weight> (143)
128.152

>  <Exact_Mass> (143)
128.004

>  <Chemical_Name> (143)
5-methyl-1,3,4-thiadiazole-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.2643  -20.6948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.2643  -19.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9453  -18.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7127  -21.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6079  -19.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7127  -18.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1824  -22.6108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9453  -16.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7436  -21.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2116  -22.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8182  -23.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6049  -20.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6796  -22.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6689  -22.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1386  -24.3722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0        0
 10 11  1  0        0
 10 12  1  0        0
 10 13  1  0        0
 14 15  2  0        0
  9 14  1  0        0
  2  1  1  0        0
  2  3  1  0        0
  1  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  7 14  1  0        0
  3  8  2  0        0
M  END
>  <Formula> (144)
C9H12N2O3S

>  <Compd ID> (144)
BB-02-041

>  <Brand> (144)
DDP

>  <CAS #> (144)
391668-77-2

>  <Mol_Weight> (144)
228.268

>  <Exact_Mass> (144)
228.057

>  <Chemical_Name> (144)
tert-butyl (5-formylthiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.2643  -20.6948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.2643  -19.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9453  -18.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7127  -21.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6079  -19.9333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.7127  -18.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1824  -22.6108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9453  -16.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7436  -21.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2116  -22.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8182  -23.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6049  -20.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6796  -22.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6689  -22.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1386  -24.3722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0        0
 10 11  1  0        0
 10 12  1  0        0
 10 13  1  0        0
 14 15  2  0        0
  9 14  1  0        0
  2  1  1  0        0
  2  3  1  0        0
  1  4  2  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  2  2  0        0
  4  7  1  0        0
  7 14  1  0        0
  3  8  2  0        0
M  END
>  <Formula> (145)
C9H12N2O3S

>  <Compd ID> (145)
BB-02-049

>  <Brand> (145)
DDP

>  <CAS #> (145)
494769-34-5

>  <Mol_Weight> (145)
228.268

>  <Exact_Mass> (145)
228.057

>  <Chemical_Name> (145)
tert-butyl (4-formylthiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 10 10  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7886  -21.8677    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -17.3035    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  3  8  1  0        0
  7  9  1  0        0
  2 10  2  0        0
M  END
>  <Formula> (146)
C7H4Br2O

>  <Compd ID> (146)
BB-02-057

>  <Brand> (146)
DDP

>  <CAS #> (146)
67713-23-9

>  <Mol_Weight> (146)
263.914

>  <Exact_Mass> (146)
261.863

>  <Chemical_Name> (146)
2,6-dibromobenzaldehyde

$$$$

csCF1200/ 02271116062D

 11 11  0  0  0  0  0  0  0  0999 V2000
   30.1048  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -22.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0589  -19.5864    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -16.5420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  3  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7 10  1  0        0
  6  8  1  0        0
  2  9  2  0        0
M  END
>  <Formula> (147)
C8H4ClNO

>  <Compd ID> (147)
BB-02-065

>  <Brand> (147)
DDP

>  <CAS #> (147)
77532-86-6

>  <Mol_Weight> (147)
165.576

>  <Exact_Mass> (147)
164.998

>  <Chemical_Name> (147)
2-chloro-6-formylbenzonitrile

$$$$

csCF1200/ 02271116062D

 11 11  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.0589  -18.8249    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -23.3891    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7  8  1  0        0
  6  9  1  0        0
  4 10  1  0        0
  2 11  2  0        0
M  END
>  <Formula> (148)
C7H4Br2O2

>  <Compd ID> (148)
BB-02-073

>  <Brand> (148)
DDP

>  <CAS #> (148)
90-59-5

>  <Mol_Weight> (148)
279.913

>  <Exact_Mass> (148)
277.858

>  <Chemical_Name> (148)
3,5-dibromo-2-hydroxybenzaldehyde

$$$$

csCF1200/ 02271116062D

 10 10  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -17.3035    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7886  -21.8677    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  7  8  1  0        0
  3  9  1  0        0
  2 10  2  0        0
M  END
>  <Formula> (149)
C6H3Br2NO

>  <Compd ID> (149)
BB-02-081

>  <Brand> (149)
DDP

>  <CAS #> (149)
70201-42-2

>  <Mol_Weight> (149)
264.902

>  <Exact_Mass> (149)
262.858

>  <Chemical_Name> (149)
3,5-dibromoisonicotinaldehyde

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -21.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4484  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -19.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9714  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7329  -21.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2559  -21.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0174  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2559  -19.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7329  -19.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5372  -20.3463    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
  2 14  2  0        0
M  END
>  <Formula> (150)
C10H6BrNO2

>  <Compd ID> (150)
BB-02-089

>  <Brand> (150)
DDP

>  <CAS #> (150)
640292-04-2

>  <Mol_Weight> (150)
252.064

>  <Exact_Mass> (150)
250.958

>  <Chemical_Name> (150)
5-(4-bromophenyl)isoxazole-3-carbaldehyde

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -21.5784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.4484  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -19.1141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.9714  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7329  -21.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2559  -21.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0174  -20.3463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.2559  -19.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7329  -19.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
  2 13  2  0        0
M  END
>  <Formula> (151)
C9H6N2OS

>  <Compd ID> (151)
BB-02-097

>  <Brand> (151)
DDP

>  <CAS #> (151)
533885-37-9

>  <Mol_Weight> (151)
190.222

>  <Exact_Mass> (151)
190.02

>  <Chemical_Name> (151)
2-(pyridin-4-yl)thiazole-4-carbaldehyde

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -21.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.4484  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -19.1141    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.9714  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7329  -21.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2559  -21.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0174  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2559  -19.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.7329  -19.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8753  -22.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
  3 13  1  0        0
  2 14  2  0        0
M  END
>  <Formula> (152)
C10H8N2OS

>  <Compd ID> (152)
BB-02-105

>  <Brand> (152)
DDP

>  <CAS #> (152)
958443-39-5

>  <Mol_Weight> (152)
204.248

>  <Exact_Mass> (152)
204.036

>  <Chemical_Name> (152)
4-methyl-2-(pyridin-3-yl)thiazole-5-carbaldehyde

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -21.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4484  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -19.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1727  -22.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6874  -23.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5826  -21.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9631  -20.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
  2 11  2  0        0
M  END
>  <Formula> (153)
C9H6O2

>  <Compd ID> (153)
BB-02-113

>  <Brand> (153)
DDP

>  <CAS #> (153)
4265-16-1

>  <Mol_Weight> (153)
146.143

>  <Exact_Mass> (153)
146.037

>  <Chemical_Name> (153)
benzofuran-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -21.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4484  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -19.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1727  -22.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6874  -23.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5826  -21.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9631  -20.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
  2 11  2  0        0
M  END
>  <Formula> (154)
C9H6OS

>  <Compd ID> (154)
BB-02-121

>  <Brand> (154)
DDP

>  <CAS #> (154)
3541-37-5

>  <Mol_Weight> (154)
162.208

>  <Exact_Mass> (154)
162.014

>  <Chemical_Name> (154)
benzo[b]thiophene-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -21.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4484  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -19.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9631  -20.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5826  -18.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6874  -17.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1727  -17.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  2 11  2  0        0
M  END
>  <Formula> (155)
C9H6O2

>  <Compd ID> (155)
BB-02-129

>  <Brand> (155)
DDP

>  <CAS #> (155)
4687-25-6

>  <Mol_Weight> (155)
146.143

>  <Exact_Mass> (155)
146.037

>  <Chemical_Name> (155)
benzofuran-3-carbaldehyde

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -21.5784    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.4484  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -19.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9631  -20.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5826  -18.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6874  -17.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1727  -17.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  2 11  2  0        0
M  END
>  <Formula> (156)
C9H6OS

>  <Compd ID> (156)
BB-02-137

>  <Brand> (156)
DDP

>  <CAS #> (156)
5381-20-4

>  <Mol_Weight> (156)
162.208

>  <Exact_Mass> (156)
162.014

>  <Chemical_Name> (156)
benzo[b]thiophene-3-carbaldehyde

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -21.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.4484  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -19.1141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.9631  -20.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5826  -18.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.6874  -17.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1727  -17.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  2 11  2  0        0
M  END
>  <Formula> (157)
C7H5N3O

>  <Compd ID> (157)
BB-02-145

>  <Brand> (157)
DDP

>  <CAS #> (157)
106012-58-2

>  <Mol_Weight> (157)
147.134

>  <Exact_Mass> (157)
147.043

>  <Chemical_Name> (157)
imidazo[1,2-a]pyrazine-3-carbaldehyde

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -21.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.4484  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -19.1141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.9631  -20.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5826  -18.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6874  -17.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1727  -17.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8753  -22.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0        0
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  9 10  2  0        0
 10  6  1  0        0
  3 11  1  0        0
  2 12  2  0        0
M  END
>  <Formula> (158)
C9H8N2O

>  <Compd ID> (158)
BB-02-153

>  <Brand> (158)
DDP

>  <CAS #> (158)
30384-93-1

>  <Mol_Weight> (158)
160.173

>  <Exact_Mass> (158)
160.064

>  <Chemical_Name> (158)
2-methylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -21.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.4484  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5532  -19.1141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.9631  -20.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5826  -18.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6874  -17.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1727  -17.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8753  -22.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0940  -18.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
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  3 11  1  0        0
  8 12  1  0        0
  2 13  2  0        0
M  END
>  <Formula> (159)
C10H10N2O

>  <Compd ID> (159)
BB-02-161

>  <Brand> (159)
DDP

>  <CAS #> (159)
820245-84-9

>  <Mol_Weight> (159)
174.199

>  <Exact_Mass> (159)
174.079

>  <Chemical_Name> (159)
2,7-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8745  -18.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2550  -17.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7404  -17.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2347  -16.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.1601  -15.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2347  -14.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0854  -16.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0854  -14.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7213  -16.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1909  -14.7564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0        0
 13 14  1  0        0
 13 15  1  0        0
 13 16  1  0        0
 17 18  2  0        0
 12 17  1  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
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  6  7  2  0        0
  7  1  1  0        0
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  9 10  1  0        0
 10  7  1  0        0
 10 17  1  0        0
  2 11  2  0        0
M  END
>  <Formula> (160)
C14H17NO3

>  <Compd ID> (160)
BB-02-169

>  <Brand> (160)
DDP

>  <CAS #> (160)
174539-67-4

>  <Mol_Weight> (160)
247.29

>  <Exact_Mass> (160)
247.121

>  <Chemical_Name> (160)
tert-butyl 7-formylindoline-1-carboxylate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8745  -18.5657    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.2550  -17.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7404  -17.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
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  3  4  1  0        0
  4  5  2  0        0
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  6  7  2  0        0
  7  1  1  0        0
  6  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
  2 11  2  0        0
M  END
>  <Formula> (161)
C9H6OS

>  <Compd ID> (161)
BB-02-177

>  <Brand> (161)
DDP

>  <CAS #> (161)
10133-25-2

>  <Mol_Weight> (161)
162.208

>  <Exact_Mass> (161)
162.014

>  <Chemical_Name> (161)
benzo[b]thiophene-4-carbaldehyde

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.1558  -20.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8368  -19.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1558  -22.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4748  -22.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7937  -22.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7937  -20.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4748  -19.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9255  -19.5911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.3060  -18.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7914  -18.3589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.0659  -16.8836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8368  -18.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7847  -15.5646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.0248  -14.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3409  -13.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7086  -15.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2649  -12.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3044  -15.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0643  -14.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  1  1  0        0
  6  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
  9 11  1  0        0
 11 18  1  0        0
  2 12  2  0        0
M  END
>  <Formula> (162)
C13H14N2O3S

>  <Compd ID> (162)
BB-02-185

>  <Brand> (162)
DDP

>  <Mol_Weight> (162)
278.327

>  <Exact_Mass> (162)
278.073

>  <Chemical_Name> (162)
tert-butyl (4-formylbenzo[d]thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1912  -21.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0864  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1912  -19.1141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.6608  -23.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6061  -20.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
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  3  4  2  0        0
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  5  8  1  0        0
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  9 10  1  0        0
 10  6  2  0        0
  8 11  1  0        0
  9 12  1  0        0
  2 13  2  0        0
M  END
>  <Formula> (163)
C10H10N2O

>  <Compd ID> (163)
BB-02-193

>  <Brand> (163)
DDP

>  <Mol_Weight> (163)
174.199

>  <Exact_Mass> (163)
174.079

>  <Chemical_Name> (163)
2,3-dimethylimidazo[1,2-a]pyridine-7-carbaldehyde

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -17.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -16.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -17.3003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
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  4  5  1  0        0
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  6  7  1  0        0
  7  1  2  0        0
  6  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  7  1  0        0
  2 12  2  0        0
M  END
>  <Formula> (164)
C10H7NO

>  <Compd ID> (164)
BB-02-201

>  <Brand> (164)
DDP

>  <CAS #> (164)
38707-70-9

>  <Mol_Weight> (164)
157.169

>  <Exact_Mass> (164)
157.053

>  <Chemical_Name> (164)
quinoline-8-carbaldehyde

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -17.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -16.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -17.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3778  -19.5832    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  6  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  7  1  0        0
  8 12  1  0        0
  2 13  2  0        0
M  END
>  <Formula> (165)
C10H6BrNO

>  <Compd ID> (165)
BB-02-209

>  <Brand> (165)
DDP

>  <CAS #> (165)
898391-87-2

>  <Mol_Weight> (165)
236.065

>  <Exact_Mass> (165)
234.963

>  <Chemical_Name> (165)
8-bromoquinoline-4-carbaldehyde

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -23.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -24.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -23.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0        0
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  7  1  2  0        0
  4  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  5  1  0        0
  2 12  2  0        0
M  END
>  <Formula> (166)
C9H6N2O

>  <Compd ID> (166)
BB-02-217

>  <Brand> (166)
DDP

>  <CAS #> (166)
64379-45-9

>  <Mol_Weight> (166)
158.157

>  <Exact_Mass> (166)
158.048

>  <Chemical_Name> (166)
1,8-naphthyridine-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -23.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -24.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -23.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -23.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.4669  -24.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1479  -24.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4669  -25.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1479  -23.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -24.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -25.6768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  1  2  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  4  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11  5  1  0        0
  2 12  2  0        0
  8 18  1  0        0
M  END
>  <Formula> (167)
C14H18N2O3

>  <Compd ID> (167)
BB-02-225

>  <Brand> (167)
DDP

>  <CAS #> (167)
912270-39-4

>  <Mol_Weight> (167)
262.304

>  <Exact_Mass> (167)
262.132

>  <Chemical_Name> (167)
tert-butyl 7-formyl-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -23.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -24.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -23.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  4  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  5  1  0        0
  2 12  2  0        0
M  END
>  <Formula> (168)
C9H6N2O

>  <Compd ID> (168)
BB-02-233

>  <Brand> (168)
DDP

>  <CAS #> (168)
1593-08-4

>  <Mol_Weight> (168)
158.157

>  <Exact_Mass> (168)
158.048

>  <Chemical_Name> (168)
quinoxaline-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -23.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3806  -24.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6996  -23.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6996  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3806  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0157  -21.1094    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 12 14  1  0        0
  2 15  2  0        0
M  END
>  <Formula> (169)
C13H9BrO

>  <Compd ID> (169)
BB-02-241

>  <Brand> (169)
DDP

>  <CAS #> (169)
400749-87-3

>  <Mol_Weight> (169)
261.114

>  <Exact_Mass> (169)
259.984

>  <Chemical_Name> (169)
3'-bromo-[1,1'-biphenyl]-4-carbaldehyde

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -23.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.3806  -24.1538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6996  -23.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6996  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3806  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
  2 14  2  0        0
M  END
>  <Formula> (170)
C12H9NO

>  <Compd ID> (170)
BB-02-249

>  <Brand> (170)
DDP

>  <CAS #> (170)
127406-56-8

>  <Mol_Weight> (170)
183.206

>  <Exact_Mass> (170)
183.068

>  <Chemical_Name> (170)
4-(pyridin-2-yl)benzaldehyde

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.1048  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1048  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7427  -19.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4237  -18.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -21.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0617  -23.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3806  -24.1538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.6996  -23.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6996  -21.8693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.3806  -21.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7858  -17.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  1  2  0        0
  8  5  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
  2 14  2  0        0
M  END
>  <Formula> (171)
C11H8N2O

>  <Compd ID> (171)
BB-02-257

>  <Brand> (171)
DDP

>  <CAS #> (171)
198084-12-7

>  <Mol_Weight> (171)
184.194

>  <Exact_Mass> (171)
184.064

>  <Chemical_Name> (171)
4-(pyrimidin-5-yl)benzaldehyde

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   31.3440  -27.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1055  -26.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3440  -24.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8210  -24.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0595  -26.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8210  -27.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5952  -25.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.7544  -24.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3631  -23.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7750  -24.9394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2520  -24.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7290  -24.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4905  -26.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4905  -23.6205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5365  -26.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7750  -27.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.0733  -23.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3895  -24.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0        0
 11 12  1  0        0
 11 13  1  0        0
 11 14  1  0        0
 15 16  2  0        0
 10 15  1  0        0
 17 18  2  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  5 15  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 17  1  0        0
M  END
>  <Formula> (172)
C13H17NO3S

>  <Compd ID> (172)
BB-02-265

>  <Brand> (172)
DDP

>  <Mol_Weight> (172)
267.344

>  <Exact_Mass> (172)
267.093

>  <Chemical_Name> (172)
tert-butyl 2-formyl-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.0035  -27.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7650  -26.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0035  -24.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4805  -24.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7190  -26.2584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4805  -27.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2547  -25.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.4139  -24.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0226  -23.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7329  -23.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0490  -24.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
M  END
>  <Formula> (173)
C8H8O2S

>  <Compd ID> (173)
BB-02-273

>  <Brand> (173)
DDP

>  <Mol_Weight> (173)
168.213

>  <Exact_Mass> (173)
168.024

>  <Chemical_Name> (173)
6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   29.9737  -27.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7352  -26.3247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.9737  -25.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4507  -25.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6892  -26.3247    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.4507  -27.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2250  -26.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3841  -24.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9928  -23.8739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.7031  -23.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0193  -24.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  3  2  0        0
  8 10  1  0        0
M  END
>  <Formula> (174)
C7H8N2OS

>  <Compd ID> (174)
BB-02-281

>  <Brand> (174)
DDP

>  <Mol_Weight> (174)
168.216

>  <Exact_Mass> (174)
168.036

>  <Chemical_Name> (174)
6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   29.2820  -21.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0435  -20.0757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3011  -22.5265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.6924  -21.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5332  -20.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2820  -18.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7590  -18.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9975  -20.0757    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.7590  -21.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6650  -19.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1104  -19.8429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
  5 10  1  0        0
M  END
>  <Formula> (175)
C7H8N2OS

>  <Compd ID> (175)
BB-02-289

>  <Brand> (175)
DDP

>  <Mol_Weight> (175)
168.216

>  <Exact_Mass> (175)
168.036

>  <Chemical_Name> (175)
6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-3-carbaldehyde

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.6245  -26.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8629  -25.0057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1142  -26.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2734  -24.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8820  -23.8739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3399  -25.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5785  -26.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3399  -27.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8629  -27.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5923  -23.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9085  -24.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4 10  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
M  END
>  <Formula> (176)
C8H10N2O

>  <Compd ID> (176)
BB-02-297

>  <Brand> (176)
DDP

>  <Mol_Weight> (176)
150.178

>  <Exact_Mass> (176)
150.079

>  <Chemical_Name> (176)
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.6245  -26.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8629  -24.8626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1142  -25.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2734  -24.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8820  -23.7308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3399  -24.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5785  -26.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3399  -27.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8629  -27.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5923  -23.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9085  -24.3486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4 10  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
M  END
>  <Formula> (177)
C7H8N2O2

>  <Compd ID> (177)
BB-02-305

>  <Brand> (177)
DDP

>  <Mol_Weight> (177)
152.151

>  <Exact_Mass> (177)
152.059

>  <Chemical_Name> (177)
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.6245  -26.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8629  -24.8626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1142  -25.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2734  -24.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8820  -23.7308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3399  -24.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5785  -26.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3399  -27.5005    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.8629  -27.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5923  -23.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9085  -24.3486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4 10  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
M  END
>  <Formula> (178)
C7H8N2OS

>  <Compd ID> (178)
BB-02-313

>  <Brand> (178)
DDP

>  <Mol_Weight> (178)
168.216

>  <Exact_Mass> (178)
168.036

>  <Chemical_Name> (178)
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   31.3301  -25.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5686  -24.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.8199  -25.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9791  -23.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5877  -23.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0456  -24.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2841  -25.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0456  -26.8424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.5686  -26.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2980  -22.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6142  -23.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1921  -28.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4306  -29.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1921  -30.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7151  -30.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4766  -29.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7151  -28.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9996  -29.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7611  -28.1613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2841  -28.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0456  -29.4803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 12 17  1  0        0
 16 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4 10  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
  8 20  1  0        0
M  END
>  <Formula> (179)
C15H15N3O3

>  <Compd ID> (179)
BB-02-321

>  <Brand> (179)
DDP

>  <Mol_Weight> (179)
285.298

>  <Exact_Mass> (179)
285.111

>  <Chemical_Name> (179)
benzyl 2-formyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.6245  -26.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8629  -24.8626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1142  -25.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2734  -24.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8820  -23.7308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3399  -24.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5785  -26.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3399  -27.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8629  -27.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5923  -23.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9085  -24.3486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4 10  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
M  END
>  <Formula> (180)
C7H8N2O2

>  <Compd ID> (180)
BB-02-329

>  <Brand> (180)
DDP

>  <Mol_Weight> (180)
152.151

>  <Exact_Mass> (180)
152.059

>  <Chemical_Name> (180)
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   29.3284  -28.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8054  -28.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3348  -29.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5669  -30.4308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.7991  -29.5356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2217  -26.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7364  -27.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6316  -25.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0121  -24.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4975  -24.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6023  -25.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9054  -23.1638    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.9102  -26.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5284  -25.4666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  2  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  2 13  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
M  END
>  <Formula> (181)
C10H7FN2O

>  <Compd ID> (181)
BB-02-337

>  <Brand> (181)
DDP

>  <Mol_Weight> (181)
190.174

>  <Exact_Mass> (181)
190.054

>  <Chemical_Name> (181)
3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.7410  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2640  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7346  -24.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5025  -23.9554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -24.8506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8476  -27.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3330  -27.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4378  -28.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0573  -29.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5719  -30.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4671  -28.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1639  -31.2224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   34.1830  -24.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2577  -25.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  2  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
M  END
>  <Formula> (182)
C10H7FN2O

>  <Compd ID> (182)
BB-02-345

>  <Brand> (182)
DDP

>  <Mol_Weight> (182)
190.174

>  <Exact_Mass> (182)
190.054

>  <Chemical_Name> (182)
3-(4-fluorophenyl)-1H-pyrazole-5-carbaldehyde

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   31.8034  -22.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1223  -21.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1223  -20.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8034  -19.6556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.4844  -20.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4844  -21.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1683  -19.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1683  -18.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8493  -17.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5303  -18.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5303  -19.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8493  -20.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2142  -17.3743    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   34.4413  -19.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7575  -20.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  2  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  3 14  1  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
M  END
>  <Formula> (183)
C12H8FNO

>  <Compd ID> (183)
BB-02-353

>  <Brand> (183)
DDP

>  <Mol_Weight> (183)
201.196

>  <Exact_Mass> (183)
201.059

>  <Chemical_Name> (183)
6-(4-fluorophenyl)picolinaldehyde

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   31.0205  -28.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5435  -28.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0141  -27.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7819  -26.3782    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.5498  -27.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1044  -26.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7878  -25.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3393  -24.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2075  -25.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5241  -27.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9726  -27.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7621  -25.3929    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   34.4626  -26.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5372  -27.8774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  2  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  5  6  1  0        0
  3 13  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
M  END
>  <Formula> (184)
C11H7FOS

>  <Compd ID> (184)
BB-02-361

>  <Brand> (184)
DDP

>  <Mol_Weight> (184)
206.236

>  <Exact_Mass> (184)
206.02

>  <Chemical_Name> (184)
5-(4-fluorophenyl)thiophene-2-carbaldehyde

$$$$

csCF1200/ 02271116062D

 13 15  0  0  0  0  0  0  0  0999 V2000
   32.4284  -19.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4284  -20.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5053  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.4284  -21.4686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.4284  -22.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1094  -20.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1094  -18.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -19.6302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  2  4  1  0        0
  3  5  1  0        0
  5  6  1  0        0
  4  6  1  0        0
  4  7  1  0        0
  5  8  1  0        0
  1  9  1  0        0
  9 10  1  0        0
 10  8  1  0        0
 10  7  1  0        0
 10 12  1  0        0
 12 11  2  0        0
 12 13  1  0        0
M  END
>  <Formula> (185)
C11H16O2

>  <Compd ID> (185)
BB-03-001

>  <Brand> (185)
DDP

>  <CAS #> (185)
828-51-3

>  <Mol_Weight> (185)
180.244

>  <Exact_Mass> (185)
180.115

>  <Chemical_Name> (185)
(1s,3s)-adamantane-1-carboxylic acid

$$$$

csCF1200/ 02271116062D

 21 24  0  0  0  0  0  0  0  0999 V2000
   32.6662  -19.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6662  -20.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7431  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -21.4686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -22.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -20.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -18.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  2  4  1  0        0
  3  5  1  0        0
  5  6  1  0        0
  4  6  1  0        0
  4  7  1  0        0
  5  8  1  0        0
  1  9  1  0        0
  9 10  1  0        0
 10  8  1  0        0
 10  7  1  0        0
 10 21  1  0        0
 21 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 14  1  0        0
 16 20  1  0        0
 12 21  1  0        0
M  END
>  <Formula> (186)
C18H24N2O

>  <Compd ID> (186)
BB-03-002

>  <Brand> (186)
DDP

>  <Mol_Weight> (186)
284.396

>  <Exact_Mass> (186)
284.189

>  <Chemical_Name> (186)
(1s,3s)-N-(3-aminobenzyl)adamantane-1-carboxamide

$$$$

csCF1200/ 02271116062D

 16 18  0  0  0  0  0  0  0  0999 V2000
   32.6662  -19.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6662  -20.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7431  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -21.4686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -22.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -20.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -18.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  2  4  1  0        0
  3  5  1  0        0
  5  6  1  0        0
  4  6  1  0        0
  4  7  1  0        0
  5  8  1  0        0
  1  9  1  0        0
  9 10  1  0        0
 10  8  1  0        0
 10  7  1  0        0
 10 16  1  0        0
 16 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 12 16  1  0        0
M  END
>  <Formula> (187)
C13H22N2O

>  <Compd ID> (187)
BB-03-003

>  <Brand> (187)
DDP

>  <Mol_Weight> (187)
222.327

>  <Exact_Mass> (187)
222.173

>  <Chemical_Name> (187)
(1s,3s)-N-(2-aminoethyl)adamantane-1-carboxamide

$$$$

csCF1200/ 02271116062D

  9  9  0  0  0  0  0  0  0  0999 V2000
   30.0326  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0326  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8030  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  8  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  1  6  1  0        0
  8  7  2  0        0
  8  9  1  0        0
M  END
>  <Formula> (188)
C5H6N2O2

>  <Compd ID> (188)
BB-03-009

>  <Brand> (188)
DDP

>  <CAS #> (188)
41806-40-0

>  <Mol_Weight> (188)
126.113

>  <Exact_Mass> (188)
126.043

>  <Chemical_Name> (188)
1-methyl-1H-imidazole-5-carboxylic acid

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0408  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0460  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 17  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  1  6  1  0        0
 17  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 10  1  0        0
 12 16  1  0        0
  8 17  1  0        0
M  END
>  <Formula> (189)
C12H14N4O

>  <Compd ID> (189)
BB-03-010

>  <Brand> (189)
DDP

>  <Mol_Weight> (189)
230.266

>  <Exact_Mass> (189)
230.117

>  <Chemical_Name> (189)
N-(3-aminobenzyl)-1-methyl-1H-imidazole-5-carboxamide

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0408  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  1  6  1  0        0
 12  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
  8 12  1  0        0
M  END
>  <Formula> (190)
C7H12N4O

>  <Compd ID> (190)
BB-03-011

>  <Brand> (190)
DDP

>  <Mol_Weight> (190)
168.196

>  <Exact_Mass> (190)
168.101

>  <Chemical_Name> (190)
N-(2-aminoethyl)-1-methyl-1H-imidazole-5-carboxamide

$$$$

csCF1200/ 02271116062D

  9  9  0  0  0  0  0  0  0  0999 V2000
   30.0326  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.0326  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9507  -17.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  8  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  5  6  1  0        0
  8  7  2  0        0
  8  9  1  0        0
M  END
>  <Formula> (191)
C5H5NO2S

>  <Compd ID> (191)
BB-03-017

>  <Brand> (191)
DDP

>  <CAS #> (191)
20485-41-0

>  <Mol_Weight> (191)
143.164

>  <Exact_Mass> (191)
143.004

>  <Chemical_Name> (191)
4-methylthiazole-5-carboxylic acid

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -17.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0460  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 17  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  5  6  1  0        0
 17  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 10  1  0        0
 12 16  1  0        0
  8 17  1  0        0
M  END
>  <Formula> (192)
C12H13N3OS

>  <Compd ID> (192)
BB-03-018

>  <Brand> (192)
DDP

>  <Mol_Weight> (192)
247.316

>  <Exact_Mass> (192)
247.078

>  <Chemical_Name> (192)
N-(3-aminobenzyl)-4-methylthiazole-5-carboxamide

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -17.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  5  6  1  0        0
 12  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
  8 12  1  0        0
M  END
>  <Formula> (193)
C7H11N3OS

>  <Compd ID> (193)
BB-03-019

>  <Brand> (193)
DDP

>  <Mol_Weight> (193)
185.247

>  <Exact_Mass> (193)
185.062

>  <Chemical_Name> (193)
N-(2-aminoethyl)-4-methylthiazole-5-carboxamide

$$$$

csCF1200/ 02271116062D

  9  9  0  0  0  0  0  0  0  0999 V2000
   30.0326  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.0326  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9507  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  8  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  8  7  2  0        0
  8  9  1  0        0
M  END
>  <Formula> (194)
C5H5NO2S

>  <Compd ID> (194)
BB-03-025

>  <Brand> (194)
DDP

>  <CAS #> (194)
40004-69-1

>  <Mol_Weight> (194)
143.164

>  <Exact_Mass> (194)
143.004

>  <Chemical_Name> (194)
2-methylthiazole-5-carboxylic acid

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0460  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 17  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
 17  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 10  1  0        0
 12 16  1  0        0
  8 17  1  0        0
M  END
>  <Formula> (195)
C12H13N3OS

>  <Compd ID> (195)
BB-03-026

>  <Brand> (195)
DDP

>  <Mol_Weight> (195)
247.316

>  <Exact_Mass> (195)
247.078

>  <Chemical_Name> (195)
N-(3-aminobenzyl)-2-methylthiazole-5-carboxamide

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
 12  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
  8 12  1  0        0
M  END
>  <Formula> (196)
C7H11N3OS

>  <Compd ID> (196)
BB-03-027

>  <Brand> (196)
DDP

>  <Mol_Weight> (196)
185.247

>  <Exact_Mass> (196)
185.062

>  <Chemical_Name> (196)
N-(2-aminoethyl)-2-methylthiazole-5-carboxamide

$$$$

csCF1200/ 02271116062D

  9  9  0  0  0  0  0  0  0  0999 V2000
   30.0326  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.0326  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.9507  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  8  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  8  7  2  0        0
  8  9  1  0        0
M  END
>  <Formula> (197)
C4H4N2O2S

>  <Compd ID> (197)
BB-03-033

>  <Brand> (197)
DDP

>  <CAS #> (197)
501698-31-3

>  <Mol_Weight> (197)
144.152

>  <Exact_Mass> (197)
143.999

>  <Chemical_Name> (197)
5-methyl-1,3,4-thiadiazole-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0460  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 17  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
 17  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 10  1  0        0
 12 16  1  0        0
  8 17  1  0        0
M  END
>  <Formula> (198)
C11H12N4OS

>  <Compd ID> (198)
BB-03-034

>  <Brand> (198)
DDP

>  <Mol_Weight> (198)
248.304

>  <Exact_Mass> (198)
248.073

>  <Chemical_Name> (198)
N-(3-aminobenzyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
 12  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
  8 12  1  0        0
M  END
>  <Formula> (199)
C6H10N4OS

>  <Compd ID> (199)
BB-03-035

>  <Brand> (199)
DDP

>  <Mol_Weight> (199)
186.235

>  <Exact_Mass> (199)
186.058

>  <Chemical_Name> (199)
N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.4967  -20.7402    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.4967  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9452  -21.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8404  -19.9787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9452  -18.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4148  -22.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1778  -16.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1778  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8616  -19.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9760  -21.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4440  -22.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0507  -23.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8374  -20.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9120  -22.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9014  -22.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3710  -24.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0        0
 11 12  1  0        0
 11 13  1  0        0
 11 14  1  0        0
 15 16  2  0        0
 10 15  1  0        0
  2  1  1  0        0
  2  8  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  6 15  1  0        0
  8  7  2  0        0
  8  9  1  0        0
M  END
>  <Formula> (200)
C9H12N2O4S

>  <Compd ID> (200)
BB-03-041

>  <Brand> (200)
DDP

>  <CAS #> (200)
302964-02-9

>  <Mol_Weight> (200)
244.268

>  <Exact_Mass> (200)
244.052

>  <Chemical_Name> (200)
2-((tert-butoxycarbonyl)amino)thiazole-5-carboxylic acid

$$$$

csCF1200/ 02271116062D

 24 25  0  0  0  0  0  0  0  0999 V2000
   27.7329  -20.7399    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.7329  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -21.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0765  -19.9783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -18.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6510  -22.6559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.4139  -16.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0950  -19.2169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7788  -18.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4626  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1437  -18.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8247  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8247  -20.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1437  -21.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4626  -20.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5085  -18.4569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.4139  -18.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2154  -21.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6833  -22.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2900  -23.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0767  -20.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1514  -22.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1407  -22.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6103  -24.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0        0
 19 20  1  0        0
 19 21  1  0        0
 19 22  1  0        0
 23 24  2  0        0
 18 23  1  0        0
  2  1  1  0        0
  2 17  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  6 23  1  0        0
 17  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 10  1  0        0
 12 16  1  0        0
  8 17  1  0        0
M  END
>  <Formula> (201)
C16H20N4O3S

>  <Compd ID> (201)
BB-03-042

>  <Brand> (201)
DDP

>  <Mol_Weight> (201)
348.42

>  <Exact_Mass> (201)
348.126

>  <Chemical_Name> (201)
tert-butyl (5-((3-aminobenzyl)carbamoyl)thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   27.7345  -20.7402    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.7345  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -21.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0781  -19.9787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -18.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6526  -22.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.4155  -16.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0966  -19.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7804  -18.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4642  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1453  -18.4557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.4155  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2138  -21.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6818  -22.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2884  -23.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0751  -20.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1498  -22.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1391  -22.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6088  -24.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  2  1  1  0        0
  2 12  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  6 18  1  0        0
 12  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
  8 12  1  0        0
M  END
>  <Formula> (202)
C11H18N4O3S

>  <Compd ID> (202)
BB-03-043

>  <Brand> (202)
DDP

>  <Mol_Weight> (202)
286.351

>  <Exact_Mass> (202)
286.11

>  <Chemical_Name> (202)
tert-butyl (5-((2-aminoethyl)carbamoyl)thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.4967  -20.7402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4967  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9452  -21.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8404  -19.9787    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.9452  -18.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4148  -22.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1778  -16.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1778  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8616  -19.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9760  -21.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4440  -22.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0507  -23.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8374  -20.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9120  -22.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9014  -22.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3710  -24.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0        0
 11 12  1  0        0
 11 13  1  0        0
 11 14  1  0        0
 15 16  2  0        0
 10 15  1  0        0
  2  1  1  0        0
  2  8  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  6 15  1  0        0
  8  7  2  0        0
  8  9  1  0        0
M  END
>  <Formula> (203)
C9H12N2O4S

>  <Compd ID> (203)
BB-03-049

>  <Brand> (203)
DDP

>  <CAS #> (203)
83673-98-7

>  <Mol_Weight> (203)
244.268

>  <Exact_Mass> (203)
244.052

>  <Chemical_Name> (203)
2-((tert-butoxycarbonyl)amino)thiazole-4-carboxylic acid

$$$$

csCF1200/ 02271116062D

 24 25  0  0  0  0  0  0  0  0999 V2000
   27.7329  -20.7399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7329  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -21.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0765  -19.9783    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.1813  -18.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6510  -22.6559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.4139  -16.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0950  -19.2169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7788  -18.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4626  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1437  -18.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8247  -19.2169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8247  -20.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1437  -21.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4626  -20.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5085  -18.4569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.4139  -18.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2154  -21.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6833  -22.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2900  -23.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0767  -20.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1514  -22.6846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1407  -22.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6103  -24.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0        0
 19 20  1  0        0
 19 21  1  0        0
 19 22  1  0        0
 23 24  2  0        0
 18 23  1  0        0
  2  1  1  0        0
  2 17  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  6 23  1  0        0
 17  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 10  1  0        0
 12 16  1  0        0
  8 17  1  0        0
M  END
>  <Formula> (204)
C16H20N4O3S

>  <Compd ID> (204)
BB-03-050

>  <Brand> (204)
DDP

>  <Mol_Weight> (204)
348.42

>  <Exact_Mass> (204)
348.126

>  <Chemical_Name> (204)
tert-butyl (4-((3-aminobenzyl)carbamoyl)thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   27.7345  -20.7402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7345  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -21.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0781  -19.9787    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -18.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6526  -22.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.4155  -16.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0966  -19.2172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7804  -18.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4642  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1453  -18.4557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.4155  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2138  -21.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6818  -22.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2884  -23.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0751  -20.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1498  -22.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1391  -22.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6088  -24.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  2  1  1  0        0
  2 12  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  6 18  1  0        0
 12  7  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
  8 12  1  0        0
M  END
>  <Formula> (205)
C11H18N4O3S

>  <Compd ID> (205)
BB-03-051

>  <Brand> (205)
DDP

>  <Mol_Weight> (205)
286.351

>  <Exact_Mass> (205)
286.11

>  <Chemical_Name> (205)
tert-butyl (4-((2-aminoethyl)carbamoyl)thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 11 11  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7164  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  2  7  1  0        0
  6  8  1  0        0
 10  9  2  0        0
 10 11  1  0        0
M  END
>  <Formula> (206)
C7H4Br2O2

>  <Compd ID> (206)
BB-03-057

>  <Brand> (206)
DDP

>  <CAS #> (206)
601-84-3

>  <Mol_Weight> (206)
279.913

>  <Exact_Mass> (206)
277.858

>  <Chemical_Name> (206)
2,6-dibromobenzoic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  2  7  1  0        0
  6  8  1  0        0
 19  9  2  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 12  1  0        0
 14 18  1  0        0
 10 19  1  0        0
M  END
>  <Formula> (207)
C14H12Br2N2O

>  <Compd ID> (207)
BB-03-058

>  <Brand> (207)
DDP

>  <Mol_Weight> (207)
384.066

>  <Exact_Mass> (207)
381.932

>  <Chemical_Name> (207)
N-(3-aminobenzyl)-2,6-dibromobenzamide

$$$$

csCF1200/ 02271116062D

 14 14  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  2  7  1  0        0
  6  8  1  0        0
 14  9  2  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 10 14  1  0        0
M  END
>  <Formula> (208)
C9H10Br2N2O

>  <Compd ID> (208)
BB-03-059

>  <Brand> (208)
DDP

>  <Mol_Weight> (208)
321.997

>  <Exact_Mass> (208)
319.916

>  <Chemical_Name> (208)
N-(2-aminoethyl)-2,6-dibromobenzamide

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   30.0325  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9866  -19.6318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -20.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -16.5874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  3  0        0
  1  9  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6 11  1  0        0
  5  7  1  0        0
  9  8  2  0        0
  9 10  1  0        0
M  END
>  <Formula> (209)
C8H4ClNO2

>  <Compd ID> (209)
BB-03-065

>  <Brand> (209)
DDP

>  <Mol_Weight> (209)
181.576

>  <Exact_Mass> (209)
180.993

>  <Chemical_Name> (209)
3-chloro-2-cyanobenzoic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -19.6318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -19.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -19.6318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -16.5874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  3  0        0
  1 18  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6 19  1  0        0
  5  7  1  0        0
 18  8  2  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 11  1  0        0
 13 17  1  0        0
  9 18  1  0        0
M  END
>  <Formula> (210)
C15H12ClN3O

>  <Compd ID> (210)
BB-03-066

>  <Brand> (210)
DDP

>  <Mol_Weight> (210)
285.728

>  <Exact_Mass> (210)
285.067

>  <Chemical_Name> (210)
N-(3-aminobenzyl)-3-chloro-2-cyanobenzamide

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -19.6318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -19.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -16.5874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  3  0        0
  1 13  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6 14  1  0        0
  5  7  1  0        0
 13  8  2  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
  9 13  1  0        0
M  END
>  <Formula> (211)
C10H10ClN3O

>  <Compd ID> (211)
BB-03-067

>  <Brand> (211)
DDP

>  <Mol_Weight> (211)
223.659

>  <Exact_Mass> (211)
223.051

>  <Chemical_Name> (211)
N-(2-aminoethyl)-3-chloro-2-cyanobenzamide

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9866  -18.8703    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -23.4344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  5  8  1  0        0
  3  9  1  0        0
 11 10  2  0        0
 11 12  1  0        0
M  END
>  <Formula> (212)
C7H4Br2O3

>  <Compd ID> (212)
BB-03-073

>  <Brand> (212)
DDP

>  <CAS #> (212)
3147-55-5

>  <Mol_Weight> (212)
295.913

>  <Exact_Mass> (212)
293.853

>  <Chemical_Name> (212)
3,5-dibromo-2-hydroxybenzoic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -18.8703    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  5  8  1  0        0
  3  9  1  0        0
 20 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
 11 20  1  0        0
M  END
>  <Formula> (213)
C14H12Br2N2O2

>  <Compd ID> (213)
BB-03-074

>  <Brand> (213)
DDP

>  <Mol_Weight> (213)
400.065

>  <Exact_Mass> (213)
397.927

>  <Chemical_Name> (213)
N-(3-aminobenzyl)-3,5-dibromo-2-hydroxybenzamide

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -18.8703    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  5  8  1  0        0
  3  9  1  0        0
 15 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
M  END
>  <Formula> (214)
C9H10Br2N2O2

>  <Compd ID> (214)
BB-03-075

>  <Brand> (214)
DDP

>  <Mol_Weight> (214)
337.996

>  <Exact_Mass> (214)
335.911

>  <Chemical_Name> (214)
N-(2-aminoethyl)-3,5-dibromo-2-hydroxybenzamide

$$$$

csCF1200/ 02271116062D

 11 11  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7164  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  2  8  1  0        0
 10  9  2  0        0
 10 11  1  0        0
M  END
>  <Formula> (215)
C6H3Br2NO2

>  <Compd ID> (215)
BB-03-081

>  <Brand> (215)
DDP

>  <CAS #> (215)
13958-91-3

>  <Mol_Weight> (215)
280.902

>  <Exact_Mass> (215)
278.853

>  <Chemical_Name> (215)
3,5-dibromoisonicotinic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  2  8  1  0        0
 19  9  2  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 12  1  0        0
 14 18  1  0        0
 10 19  1  0        0
M  END
>  <Formula> (216)
C13H11Br2N3O

>  <Compd ID> (216)
BB-03-082

>  <Brand> (216)
DDP

>  <Mol_Weight> (216)
385.054

>  <Exact_Mass> (216)
382.927

>  <Chemical_Name> (216)
N-(3-aminobenzyl)-3,5-dibromoisonicotinamide

$$$$

csCF1200/ 02271116062D

 14 14  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  2  8  1  0        0
 14  9  2  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 10 14  1  0        0
M  END
>  <Formula> (217)
C8H9Br2N3O

>  <Compd ID> (217)
BB-03-083

>  <Brand> (217)
DDP

>  <Mol_Weight> (217)
322.985

>  <Exact_Mass> (217)
320.911

>  <Chemical_Name> (217)
N-(2-aminoethyl)-3,5-dibromoisonicotinamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8992  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9452  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4650  -20.3917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
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 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
 14 13  2  0        0
 14 15  1  0        0
M  END
>  <Formula> (218)
C10H6BrNO3

>  <Compd ID> (218)
BB-03-089

>  <Brand> (218)
DDP

>  <CAS #> (218)
33282-23-4

>  <Mol_Weight> (218)
268.064

>  <Exact_Mass> (218)
266.953

>  <Chemical_Name> (218)
5-(4-bromophenyl)isoxazole-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7027  -20.3917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
 23 13  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 16  1  0        0
 18 22  1  0        0
 14 23  1  0        0
M  END
>  <Formula> (219)
C17H14BrN3O2

>  <Compd ID> (219)
BB-03-090

>  <Brand> (219)
DDP

>  <Mol_Weight> (219)
372.216

>  <Exact_Mass> (219)
371.027

>  <Chemical_Name> (219)
N-(3-aminobenzyl)-5-(4-bromophenyl)isoxazole-3-carboxamide

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7027  -20.3917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
 18 13  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 14 18  1  0        0
M  END
>  <Formula> (220)
C12H12BrN3O2

>  <Compd ID> (220)
BB-03-091

>  <Brand> (220)
DDP

>  <Mol_Weight> (220)
310.147

>  <Exact_Mass> (220)
309.011

>  <Chemical_Name> (220)
N-(2-aminoethyl)-5-(4-bromophenyl)isoxazole-3-carboxamide

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8992  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9452  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 13 12  2  0        0
 13 14  1  0        0
M  END
>  <Formula> (221)
C9H6N2O2S

>  <Compd ID> (221)
BB-03-097

>  <Brand> (221)
DDP

>  <CAS #> (221)
21278-86-4

>  <Mol_Weight> (221)
206.221

>  <Exact_Mass> (221)
206.015

>  <Chemical_Name> (221)
2-(pyridin-4-yl)thiazole-4-carboxylic acid

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 22 12  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 15  1  0        0
 17 21  1  0        0
 13 22  1  0        0
M  END
>  <Formula> (222)
C16H14N4OS

>  <Compd ID> (222)
BB-03-098

>  <Brand> (222)
DDP

>  <Mol_Weight> (222)
310.374

>  <Exact_Mass> (222)
310.089

>  <Chemical_Name> (222)
N-(3-aminobenzyl)-2-(pyridin-4-yl)thiazole-4-carboxamide

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 17 12  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 13 17  1  0        0
M  END
>  <Formula> (223)
C11H12N4OS

>  <Compd ID> (223)
BB-03-099

>  <Brand> (223)
DDP

>  <Mol_Weight> (223)
248.304

>  <Exact_Mass> (223)
248.073

>  <Chemical_Name> (223)
N-(2-aminoethyl)-2-(pyridin-4-yl)thiazole-4-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.8992  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9452  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -19.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8030  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  2 12  1  0        0
 14 13  2  0        0
 14 15  1  0        0
M  END
>  <Formula> (224)
C10H8N2O2S

>  <Compd ID> (224)
BB-03-105

>  <Brand> (224)
DDP

>  <CAS #> (224)
39091-01-5

>  <Mol_Weight> (224)
220.248

>  <Exact_Mass> (224)
220.031

>  <Chemical_Name> (224)
4-methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  2 12  1  0        0
 23 13  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 16  1  0        0
 18 22  1  0        0
 14 23  1  0        0
M  END
>  <Formula> (225)
C17H16N4OS

>  <Compd ID> (225)
BB-03-106

>  <Brand> (225)
DDP

>  <Mol_Weight> (225)
324.4

>  <Exact_Mass> (225)
324.104

>  <Chemical_Name> (225)
N-(3-aminobenzyl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  2 12  1  0        0
 18 13  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 14 18  1  0        0
M  END
>  <Formula> (226)
C12H14N4OS

>  <Compd ID> (226)
BB-03-107

>  <Brand> (226)
DDP

>  <Mol_Weight> (226)
262.331

>  <Exact_Mass> (226)
262.089

>  <Chemical_Name> (226)
N-(2-aminoethyl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 11 10  2  0        0
 11 12  1  0        0
M  END
>  <Formula> (227)
C9H6O3

>  <Compd ID> (227)
BB-03-113

>  <Brand> (227)
DDP

>  <CAS #> (227)
496-41-3

>  <Mol_Weight> (227)
162.142

>  <Exact_Mass> (227)
162.032

>  <Chemical_Name> (227)
benzofuran-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 20 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
 11 20  1  0        0
M  END
>  <Formula> (228)
C16H14N2O2

>  <Compd ID> (228)
BB-03-114

>  <Brand> (228)
DDP

>  <Mol_Weight> (228)
266.295

>  <Exact_Mass> (228)
266.106

>  <Chemical_Name> (228)
N-(3-aminobenzyl)benzofuran-2-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 15 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
M  END
>  <Formula> (229)
C11H12N2O2

>  <Compd ID> (229)
BB-03-115

>  <Brand> (229)
DDP

>  <Mol_Weight> (229)
204.225

>  <Exact_Mass> (229)
204.09

>  <Chemical_Name> (229)
N-(2-aminoethyl)benzofuran-2-carboxamide

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 11 10  2  0        0
 11 12  1  0        0
M  END
>  <Formula> (230)
C9H6O2S

>  <Compd ID> (230)
BB-03-121

>  <Brand> (230)
DDP

>  <CAS #> (230)
6314-28-9

>  <Mol_Weight> (230)
178.208

>  <Exact_Mass> (230)
178.009

>  <Chemical_Name> (230)
benzo[b]thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 20 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
 11 20  1  0        0
M  END
>  <Formula> (231)
C16H14N2OS

>  <Compd ID> (231)
BB-03-122

>  <Brand> (231)
DDP

>  <Mol_Weight> (231)
282.36

>  <Exact_Mass> (231)
282.083

>  <Chemical_Name> (231)
N-(3-aminobenzyl)benzo[b]thiophene-2-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 15 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
M  END
>  <Formula> (232)
C11H12N2OS

>  <Compd ID> (232)
BB-03-123

>  <Brand> (232)
DDP

>  <Mol_Weight> (232)
220.291

>  <Exact_Mass> (232)
220.067

>  <Chemical_Name> (232)
N-(2-aminoethyl)benzo[b]thiophene-2-carboxamide

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 11 10  2  0        0
 11 12  1  0        0
M  END
>  <Formula> (233)
C9H6O3

>  <Compd ID> (233)
BB-03-129

>  <Brand> (233)
DDP

>  <CAS #> (233)
26537-68-8

>  <Mol_Weight> (233)
162.142

>  <Exact_Mass> (233)
162.032

>  <Chemical_Name> (233)
benzofuran-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 20 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
 11 20  1  0        0
M  END
>  <Formula> (234)
C16H14N2O2

>  <Compd ID> (234)
BB-03-130

>  <Brand> (234)
DDP

>  <Mol_Weight> (234)
266.295

>  <Exact_Mass> (234)
266.106

>  <Chemical_Name> (234)
N-(3-aminobenzyl)benzofuran-3-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 15 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
M  END
>  <Formula> (235)
C11H12N2O2

>  <Compd ID> (235)
BB-03-131

>  <Brand> (235)
DDP

>  <Mol_Weight> (235)
204.225

>  <Exact_Mass> (235)
204.09

>  <Chemical_Name> (235)
N-(2-aminoethyl)benzofuran-3-carboxamide

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 11 10  2  0        0
 11 12  1  0        0
M  END
>  <Formula> (236)
C9H6O2S

>  <Compd ID> (236)
BB-03-137

>  <Brand> (236)
DDP

>  <CAS #> (236)
5381-25-9

>  <Mol_Weight> (236)
178.208

>  <Exact_Mass> (236)
178.009

>  <Chemical_Name> (236)
benzo[b]thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 20 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
 11 20  1  0        0
M  END
>  <Formula> (237)
C16H14N2OS

>  <Compd ID> (237)
BB-03-138

>  <Brand> (237)
DDP

>  <Mol_Weight> (237)
282.36

>  <Exact_Mass> (237)
282.083

>  <Chemical_Name> (237)
N-(3-aminobenzyl)benzo[b]thiophene-3-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 15 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
M  END
>  <Formula> (238)
C11H12N2OS

>  <Compd ID> (238)
BB-03-139

>  <Brand> (238)
DDP

>  <Mol_Weight> (238)
220.291

>  <Exact_Mass> (238)
220.067

>  <Chemical_Name> (238)
N-(2-aminoethyl)benzo[b]thiophene-3-carboxamide

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -18.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 11 10  2  0        0
 11 12  1  0        0
M  END
>  <Formula> (239)
C7H5N3O2

>  <Compd ID> (239)
BB-03-145

>  <Brand> (239)
DDP

>  <Mol_Weight> (239)
163.134

>  <Exact_Mass> (239)
163.038

>  <Chemical_Name> (239)
imidazo[1,2-a]pyrazine-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 20 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
 11 20  1  0        0
M  END
>  <Formula> (240)
C14H13N5O

>  <Compd ID> (240)
BB-03-146

>  <Brand> (240)
DDP

>  <Mol_Weight> (240)
267.286

>  <Exact_Mass> (240)
267.112

>  <Chemical_Name> (240)
N-(3-aminobenzyl)imidazo[1,2-a]pyrazine-3-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 15 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
M  END
>  <Formula> (241)
C9H11N5O

>  <Compd ID> (241)
BB-03-147

>  <Brand> (241)
DDP

>  <Mol_Weight> (241)
205.217

>  <Exact_Mass> (241)
205.096

>  <Chemical_Name> (241)
N-(2-aminoethyl)imidazo[1,2-a]pyrazine-3-carboxamide

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8030  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
 12 11  2  0        0
 12 13  1  0        0
M  END
>  <Formula> (242)
C9H8N2O2

>  <Compd ID> (242)
BB-03-153

>  <Brand> (242)
DDP

>  <CAS #> (242)
21801-79-6

>  <Mol_Weight> (242)
176.172

>  <Exact_Mass> (242)
176.059

>  <Chemical_Name> (242)
2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
 21 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 14  1  0        0
 16 20  1  0        0
 12 21  1  0        0
M  END
>  <Formula> (243)
C16H16N4O

>  <Compd ID> (243)
BB-03-154

>  <Brand> (243)
DDP

>  <Mol_Weight> (243)
280.324

>  <Exact_Mass> (243)
280.132

>  <Chemical_Name> (243)
N-(3-aminobenzyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
 16 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 12 16  1  0        0
M  END
>  <Formula> (244)
C11H14N4O

>  <Compd ID> (244)
BB-03-155

>  <Brand> (244)
DDP

>  <Mol_Weight> (244)
218.255

>  <Exact_Mass> (244)
218.117

>  <Chemical_Name> (244)
N-(2-aminoethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8030  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0218  -18.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
  7 11  1  0        0
 13 12  2  0        0
 13 14  1  0        0
M  END
>  <Formula> (245)
C10H10N2O2

>  <Compd ID> (245)
BB-03-161

>  <Brand> (245)
DDP

>  <CAS #> (245)
81438-53-1

>  <Mol_Weight> (245)
190.199

>  <Exact_Mass> (245)
190.074

>  <Chemical_Name> (245)
2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2595  -18.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
  7 11  1  0        0
 22 12  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 15  1  0        0
 17 21  1  0        0
 13 22  1  0        0
M  END
>  <Formula> (246)
C17H18N4O

>  <Compd ID> (246)
BB-03-162

>  <Brand> (246)
DDP

>  <Mol_Weight> (246)
294.351

>  <Exact_Mass> (246)
294.148

>  <Chemical_Name> (246)
N-(3-aminobenzyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2595  -18.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
  7 11  1  0        0
 17 12  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 13 17  1  0        0
M  END
>  <Formula> (247)
C12H16N4O

>  <Compd ID> (247)
BB-03-163

>  <Brand> (247)
DDP

>  <Mol_Weight> (247)
232.282

>  <Exact_Mass> (247)
232.132

>  <Chemical_Name> (247)
N-(2-aminoethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8023  -18.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1828  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6681  -17.3790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1625  -16.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0878  -15.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1625  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0132  -16.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0132  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6490  -16.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1187  -14.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  1 11  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  6  1  0        0
  9 18  1  0        0
 11 10  2  0        0
 11 12  1  0        0
M  END
>  <Formula> (248)
C14H17NO4

>  <Compd ID> (248)
BB-03-169

>  <Brand> (248)
DDP

>  <CAS #> (248)
143262-20-8

>  <Mol_Weight> (248)
263.289

>  <Exact_Mass> (248)
263.116

>  <Chemical_Name> (248)
1-(tert-butoxycarbonyl)indoline-7-carboxylic acid

$$$$

csCF1200/ 02271116062D

 27 29  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -16.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3256  -15.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -16.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8868  -16.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3564  -14.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0        0
 22 23  1  0        0
 22 24  1  0        0
 22 25  1  0        0
 26 27  2  0        0
 21 26  1  0        0
  1 20  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  6  1  0        0
  9 26  1  0        0
 20 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
 11 20  1  0        0
M  END
>  <Formula> (249)
C21H25N3O3

>  <Compd ID> (249)
BB-03-170

>  <Brand> (249)
DDP

>  <Mol_Weight> (249)
367.442

>  <Exact_Mass> (249)
367.19

>  <Chemical_Name> (249)
tert-butyl 7-((3-aminobenzyl)carbamoyl)indoline-1-carboxylate

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -16.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3256  -15.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -16.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8868  -16.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3564  -14.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  1 15  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  6  1  0        0
  9 21  1  0        0
 15 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
M  END
>  <Formula> (250)
C16H23N3O3

>  <Compd ID> (250)
BB-03-171

>  <Brand> (250)
DDP

>  <Mol_Weight> (250)
305.372

>  <Exact_Mass> (250)
305.174

>  <Chemical_Name> (250)
tert-butyl 7-((2-aminoethyl)carbamoyl)indoline-1-carboxylate

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8023  -18.6111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.1828  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6681  -17.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
 11 10  2  0        0
 11 12  1  0        0
M  END
>  <Formula> (251)
C9H6O2S

>  <Compd ID> (251)
BB-03-177

>  <Brand> (251)
DDP

>  <CAS #> (251)
10134-95-9

>  <Mol_Weight> (251)
178.208

>  <Exact_Mass> (251)
178.009

>  <Chemical_Name> (251)
benzo[b]thiophene-4-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
 20 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
 11 20  1  0        0
M  END
>  <Formula> (252)
C16H14N2OS

>  <Compd ID> (252)
BB-03-178

>  <Brand> (252)
DDP

>  <Mol_Weight> (252)
282.36

>  <Exact_Mass> (252)
282.083

>  <Chemical_Name> (252)
N-(3-aminobenzyl)benzo[b]thiophene-4-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
 15 10  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
M  END
>  <Formula> (253)
C11H12N2OS

>  <Compd ID> (253)
BB-03-179

>  <Brand> (253)
DDP

>  <Mol_Weight> (253)
220.291

>  <Exact_Mass> (253)
220.067

>  <Chemical_Name> (253)
N-(2-aminoethyl)benzo[b]thiophene-4-carboxamide

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   30.0835  -20.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0835  -22.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4025  -22.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7214  -22.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7214  -20.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4025  -19.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8533  -19.6365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.2338  -18.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7191  -18.4043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.9937  -16.9290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7646  -18.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7646  -19.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4484  -20.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7124  -15.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9525  -14.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2687  -13.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6364  -15.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1926  -12.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2322  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9921  -14.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0        0
 15 16  1  0        0
 15 17  1  0        0
 15 18  1  0        0
 19 20  2  0        0
 14 19  1  0        0
  1 12  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
  8 10  1  0        0
 10 19  1  0        0
 12 11  2  0        0
 12 13  1  0        0
M  END
>  <Formula> (254)
C13H14N2O4S

>  <Compd ID> (254)
BB-03-185

>  <Brand> (254)
DDP

>  <Mol_Weight> (254)
294.326

>  <Exact_Mass> (254)
294.067

>  <Chemical_Name> (254)
2-((tert-butoxycarbonyl)amino)benzo[d]thiazole-4-carboxylic acid

$$$$

csCF1200/ 02271116062D

 28 30  0  0  0  0  0  0  0  0999 V2000
   30.3213  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3213  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6402  -22.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6402  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0910  -19.6365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4716  -18.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9569  -18.4043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2314  -16.9290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0023  -18.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6834  -20.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3672  -19.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0510  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7321  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4131  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4131  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7321  -22.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0510  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0970  -19.8957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0023  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9502  -15.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -14.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5064  -13.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8741  -15.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4304  -12.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4699  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2298  -14.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0        0
 23 24  1  0        0
 23 25  1  0        0
 23 26  1  0        0
 27 28  2  0        0
 22 27  1  0        0
  1 21  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
  8 10  1  0        0
 10 27  1  0        0
 21 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 14  1  0        0
 16 20  1  0        0
 12 21  1  0        0
M  END
>  <Formula> (255)
C20H22N4O3S

>  <Compd ID> (255)
BB-03-186

>  <Brand> (255)
DDP

>  <Mol_Weight> (255)
398.479

>  <Exact_Mass> (255)
398.141

>  <Chemical_Name> (255)
tert-butyl (4-((3-aminobenzyl)carbamoyl)benzo[d]thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 23 24  0  0  0  0  0  0  0  0999 V2000
   30.3213  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3213  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6402  -22.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6402  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0910  -19.6365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4716  -18.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9569  -18.4043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2314  -16.9290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0023  -18.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6834  -20.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3672  -19.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0510  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7321  -19.8940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0023  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9502  -15.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -14.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5064  -13.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8741  -15.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4304  -12.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4699  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2298  -14.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  1  0        0
 18 19  1  0        0
 18 20  1  0        0
 18 21  1  0        0
 22 23  2  0        0
 17 22  1  0        0
  1 16  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
  8 10  1  0        0
 10 22  1  0        0
 16 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 12 16  1  0        0
M  END
>  <Formula> (256)
C15H20N4O3S

>  <Compd ID> (256)
BB-03-187

>  <Brand> (256)
DDP

>  <Mol_Weight> (256)
336.409

>  <Exact_Mass> (256)
336.126

>  <Chemical_Name> (256)
tert-butyl (4-((2-aminoethyl)carbamoyl)benzo[d]thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6705  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6705  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1189  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0141  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1189  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.5885  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5339  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  2  0        0
  7 10  1  0        0
  8 11  1  0        0
 13 12  2  0        0
 13 14  1  0        0
M  END
>  <Formula> (257)
C10H10N2O2

>  <Compd ID> (257)
BB-03-193

>  <Brand> (257)
DDP

>  <Mol_Weight> (257)
190.199

>  <Exact_Mass> (257)
190.074

>  <Chemical_Name> (257)
2,3-dimethylimidazo[1,2-a]pyridine-7-carboxylic acid

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2518  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8263  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7716  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  2  0        0
  7 10  1  0        0
  8 11  1  0        0
 22 12  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 15  1  0        0
 17 21  1  0        0
 13 22  1  0        0
M  END
>  <Formula> (258)
C17H18N4O

>  <Compd ID> (258)
BB-03-194

>  <Brand> (258)
DDP

>  <Mol_Weight> (258)
294.351

>  <Exact_Mass> (258)
294.148

>  <Chemical_Name> (258)
N-(3-aminobenzyl)-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2518  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8263  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7716  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  2  0        0
  7 10  1  0        0
  8 11  1  0        0
 17 12  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 13 17  1  0        0
M  END
>  <Formula> (259)
C12H16N4O

>  <Compd ID> (259)
BB-03-195

>  <Brand> (259)
DDP

>  <Mol_Weight> (259)
232.282

>  <Exact_Mass> (259)
232.132

>  <Chemical_Name> (259)
N-(2-aminoethyl)-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -17.3456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 12 11  2  0        0
 12 13  1  0        0
M  END
>  <Formula> (260)
C10H7NO2

>  <Compd ID> (260)
BB-03-201

>  <Brand> (260)
DDP

>  <CAS #> (260)
86-59-9

>  <Mol_Weight> (260)
173.168

>  <Exact_Mass> (260)
173.048

>  <Chemical_Name> (260)
quinoline-8-carboxylic acid

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 21 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 14  1  0        0
 16 20  1  0        0
 12 21  1  0        0
M  END
>  <Formula> (261)
C17H15N3O

>  <Compd ID> (261)
BB-03-202

>  <Brand> (261)
DDP

>  <Mol_Weight> (261)
277.32

>  <Exact_Mass> (261)
277.122

>  <Chemical_Name> (261)
N-(3-aminobenzyl)quinoline-8-carboxamide

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 16 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 12 16  1  0        0
M  END
>  <Formula> (262)
C12H13N3O

>  <Compd ID> (262)
BB-03-203

>  <Brand> (262)
DDP

>  <Mol_Weight> (262)
215.251

>  <Exact_Mass> (262)
215.106

>  <Chemical_Name> (262)
N-(2-aminoethyl)quinoline-8-carboxamide

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -17.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -17.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3056  -19.6286    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  7 11  1  0        0
 13 12  2  0        0
 13 14  1  0        0
M  END
>  <Formula> (263)
C10H6BrNO2

>  <Compd ID> (263)
BB-03-209

>  <Brand> (263)
DDP

>  <CAS #> (263)
121490-67-3

>  <Mol_Weight> (263)
252.064

>  <Exact_Mass> (263)
250.958

>  <Chemical_Name> (263)
8-bromoquinoline-4-carboxylic acid

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5433  -19.6286    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  7 11  1  0        0
 22 12  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 15  1  0        0
 17 21  1  0        0
 13 22  1  0        0
M  END
>  <Formula> (264)
C17H14BrN3O

>  <Compd ID> (264)
BB-03-210

>  <Brand> (264)
DDP

>  <Mol_Weight> (264)
356.217

>  <Exact_Mass> (264)
355.032

>  <Chemical_Name> (264)
N-(3-aminobenzyl)-8-bromoquinoline-4-carboxamide

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5433  -19.6286    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  7 11  1  0        0
 17 12  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 13 17  1  0        0
M  END
>  <Formula> (265)
C12H12BrN3O

>  <Compd ID> (265)
BB-03-211

>  <Brand> (265)
DDP

>  <Mol_Weight> (265)
294.147

>  <Exact_Mass> (265)
293.016

>  <Chemical_Name> (265)
N-(2-aminoethyl)-8-bromoquinoline-4-carboxamide

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 12 11  2  0        0
 12 13  1  0        0
M  END
>  <Formula> (266)
C9H6N2O2

>  <Compd ID> (266)
BB-03-217

>  <Brand> (266)
DDP

>  <CAS #> (266)
215523-34-5

>  <Mol_Weight> (266)
174.156

>  <Exact_Mass> (266)
174.043

>  <Chemical_Name> (266)
1,8-naphthyridine-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 21 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 14  1  0        0
 16 20  1  0        0
 12 21  1  0        0
M  END
>  <Formula> (267)
C16H14N4O

>  <Compd ID> (267)
BB-03-218

>  <Brand> (267)
DDP

>  <Mol_Weight> (267)
278.309

>  <Exact_Mass> (267)
278.117

>  <Chemical_Name> (267)
N-(3-aminobenzyl)-1,8-naphthyridine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 16 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 12 16  1  0        0
M  END
>  <Formula> (268)
C11H12N4O

>  <Compd ID> (268)
BB-03-219

>  <Brand> (268)
DDP

>  <Mol_Weight> (268)
216.239

>  <Exact_Mass> (268)
216.101

>  <Chemical_Name> (268)
N-(2-aminoethyl)-1,8-naphthyridine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3946  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0757  -24.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3946  -25.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0757  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -25.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0        0
 15 16  1  0        0
 15 17  1  0        0
 15 18  1  0        0
 19 20  2  0        0
 14 19  1  0        0
  1 12  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 12 11  2  0        0
 12 13  1  0        0
  7 19  1  0        0
M  END
>  <Formula> (269)
C14H18N2O4

>  <Compd ID> (269)
BB-03-225

>  <Brand> (269)
DDP

>  <Mol_Weight> (269)
278.304

>  <Exact_Mass> (269)
278.127

>  <Chemical_Name> (269)
8-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 28 30  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -24.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -25.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -25.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0        0
 23 24  1  0        0
 23 25  1  0        0
 23 26  1  0        0
 27 28  2  0        0
 22 27  1  0        0
  1 21  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 21 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 14  1  0        0
 16 20  1  0        0
 12 21  1  0        0
  7 27  1  0        0
M  END
>  <Formula> (270)
C21H26N4O3

>  <Compd ID> (270)
BB-03-226

>  <Brand> (270)
DDP

>  <Mol_Weight> (270)
382.456

>  <Exact_Mass> (270)
382.2

>  <Chemical_Name> (270)
tert-butyl 7-((3-aminobenzyl)carbamoyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate

$$$$

csCF1200/ 02271116062D

 23 24  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -24.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -25.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -25.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  1  0        0
 18 19  1  0        0
 18 20  1  0        0
 18 21  1  0        0
 22 23  2  0        0
 17 22  1  0        0
  1 16  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 16 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 12 16  1  0        0
  7 22  1  0        0
M  END
>  <Formula> (271)
C16H24N4O3

>  <Compd ID> (271)
BB-03-227

>  <Brand> (271)
DDP

>  <Mol_Weight> (271)
320.387

>  <Exact_Mass> (271)
320.185

>  <Chemical_Name> (271)
tert-butyl 7-((2-aminoethyl)carbamoyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 12 11  2  0        0
 12 13  1  0        0
M  END
>  <Formula> (272)
C9H6N2O2

>  <Compd ID> (272)
BB-03-233

>  <Brand> (272)
DDP

>  <CAS #> (272)
879-65-2

>  <Mol_Weight> (272)
174.156

>  <Exact_Mass> (272)
174.043

>  <Chemical_Name> (272)
quinoxaline-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 21 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 14  1  0        0
 16 20  1  0        0
 12 21  1  0        0
M  END
>  <Formula> (273)
C16H14N4O

>  <Compd ID> (273)
BB-03-234

>  <Brand> (273)
DDP

>  <Mol_Weight> (273)
278.309

>  <Exact_Mass> (273)
278.117

>  <Chemical_Name> (273)
N-(3-aminobenzyl)quinoxaline-2-carboxamide

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 16 11  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 12 16  1  0        0
M  END
>  <Formula> (274)
C11H12N4O

>  <Compd ID> (274)
BB-03-235

>  <Brand> (274)
DDP

>  <Mol_Weight> (274)
216.239

>  <Exact_Mass> (274)
216.101

>  <Chemical_Name> (274)
N-(2-aminoethyl)quinoxaline-2-carboxamide

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3084  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3084  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9435  -21.1548    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 11 13  1  0        0
 15 14  2  0        0
 15 16  1  0        0
M  END
>  <Formula> (275)
C13H9BrO2

>  <Compd ID> (275)
BB-03-241

>  <Brand> (275)
DDP

>  <CAS #> (275)
5737-83-7

>  <Mol_Weight> (275)
277.113

>  <Exact_Mass> (275)
275.979

>  <Chemical_Name> (275)
3'-bromo-[1,1'-biphenyl]-4-carboxylic acid

$$$$

csCF1200/ 02271116062D

 24 26  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1812  -21.1548    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 11 13  1  0        0
 24 14  2  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 17  1  0        0
 19 23  1  0        0
 15 24  1  0        0
M  END
>  <Formula> (276)
C20H17BrN2O

>  <Compd ID> (276)
BB-03-242

>  <Brand> (276)
DDP

>  <Mol_Weight> (276)
381.266

>  <Exact_Mass> (276)
380.052

>  <Chemical_Name> (276)
N-(3-aminobenzyl)-3'-bromo-[1,1'-biphenyl]-4-carboxamide

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1812  -21.1548    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 11 13  1  0        0
 19 14  2  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 15 19  1  0        0
M  END
>  <Formula> (277)
C15H15BrN2O

>  <Compd ID> (277)
BB-03-243

>  <Brand> (277)
DDP

>  <Mol_Weight> (277)
319.196

>  <Exact_Mass> (277)
318.037

>  <Chemical_Name> (277)
N-(2-aminoethyl)-3'-bromo-[1,1'-biphenyl]-4-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.3083  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3083  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 14 13  2  0        0
 14 15  1  0        0
M  END
>  <Formula> (278)
C12H9NO2

>  <Compd ID> (278)
BB-03-249

>  <Brand> (278)
DDP

>  <CAS #> (278)
4385-62-0

>  <Mol_Weight> (278)
199.205

>  <Exact_Mass> (278)
199.063

>  <Chemical_Name> (278)
4-(pyridin-2-yl)benzoic acid

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 23 13  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 16  1  0        0
 18 22  1  0        0
 14 23  1  0        0
M  END
>  <Formula> (279)
C19H17N3O

>  <Compd ID> (279)
BB-03-250

>  <Brand> (279)
DDP

>  <Mol_Weight> (279)
303.358

>  <Exact_Mass> (279)
303.137

>  <Chemical_Name> (279)
N-(3-aminobenzyl)-4-(pyridin-2-yl)benzamide

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 18 13  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 14 18  1  0        0
M  END
>  <Formula> (280)
C14H15N3O

>  <Compd ID> (280)
BB-03-251

>  <Brand> (280)
DDP

>  <Mol_Weight> (280)
241.288

>  <Exact_Mass> (280)
241.122

>  <Chemical_Name> (280)
N-(2-aminoethyl)-4-(pyridin-2-yl)benzamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3083  -24.1992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -21.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.3083  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 14 13  2  0        0
 14 15  1  0        0
M  END
>  <Formula> (281)
C11H8N2O2

>  <Compd ID> (281)
BB-03-257

>  <Brand> (281)
DDP

>  <CAS #> (281)
216959-91-0

>  <Mol_Weight> (281)
200.193

>  <Exact_Mass> (281)
200.059

>  <Chemical_Name> (281)
4-(pyrimidin-5-yl)benzoic acid

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0459  -18.8703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 23 13  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 16  1  0        0
 18 22  1  0        0
 14 23  1  0        0
M  END
>  <Formula> (282)
C18H16N4O

>  <Compd ID> (282)
BB-03-258

>  <Brand> (282)
DDP

>  <Mol_Weight> (282)
304.346

>  <Exact_Mass> (282)
304.132

>  <Chemical_Name> (282)
N-(3-aminobenzyl)-4-(pyrimidin-5-yl)benzamide

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 18 13  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 14 18  1  0        0
M  END
>  <Formula> (283)
C13H14N4O

>  <Compd ID> (283)
BB-03-259

>  <Brand> (283)
DDP

>  <Mol_Weight> (283)
242.276

>  <Exact_Mass> (283)
242.117

>  <Chemical_Name> (283)
N-(2-aminoethyl)-4-(pyrimidin-5-yl)benzamide

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.6855  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9240  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6855  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9700  -20.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4343  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.2751  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6664  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9589  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6428  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9589  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -22.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7775  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3005  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -23.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4930  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -19.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  5 18  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (284)
C13H17NO4S

>  <Compd ID> (284)
BB-03-265

>  <Brand> (284)
DDP

>  <Mol_Weight> (284)
283.343

>  <Exact_Mass> (284)
283.088

>  <Chemical_Name> (284)
5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 27 29  0  0  0  0  0  0  0  0999 V2000
   30.6855  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9240  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6855  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9700  -20.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4343  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.2751  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6665  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9590  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6428  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3266  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0104  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6915  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3725  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3725  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6915  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0104  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0563  -18.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.9590  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -22.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7775  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3005  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -23.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4930  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -19.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0        0
 22 23  1  0        0
 22 24  1  0        0
 22 25  1  0        0
 26 27  2  0        0
 21 26  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  5 26  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
 10 20  2  0        0
M  END
>  <Formula> (285)
C20H25N3O3S

>  <Compd ID> (285)
BB-03-266

>  <Brand> (285)
DDP

>  <Mol_Weight> (285)
387.496

>  <Exact_Mass> (285)
387.162

>  <Chemical_Name> (285)
tert-butyl 2-((3-aminobenzyl)carbamoyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   30.6855  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9240  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6855  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9700  -20.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4343  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.2751  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6665  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9590  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6428  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.9590  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3238  -18.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0077  -18.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6915  -18.0884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -22.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7775  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3005  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -23.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4930  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -19.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  5 21  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 10 12  2  0        0
 11 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (286)
C15H23N3O3S

>  <Compd ID> (286)
BB-03-267

>  <Brand> (286)
DDP

>  <Mol_Weight> (286)
325.426

>  <Exact_Mass> (286)
325.146

>  <Chemical_Name> (286)
tert-butyl 2-((2-aminoethyl)carbamoyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   31.9806  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2191  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9806  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2651  -20.6811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7294  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.5702  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9615  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9379  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (287)
C8H8O3S

>  <Compd ID> (287)
BB-03-273

>  <Brand> (287)
DDP

>  <Mol_Weight> (287)
184.212

>  <Exact_Mass> (287)
184.019

>  <Chemical_Name> (287)
6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   31.9806  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2191  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9806  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2651  -20.6811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7294  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.5702  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9615  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9379  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6217  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3055  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9866  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6676  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6676  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9866  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3055  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3514  -18.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
 10 20  2  0        0
M  END
>  <Formula> (288)
C15H16N2O2S

>  <Compd ID> (288)
BB-03-274

>  <Brand> (288)
DDP

>  <Mol_Weight> (288)
288.365

>  <Exact_Mass> (288)
288.093

>  <Chemical_Name> (288)
N-(3-aminobenzyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   31.9806  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2191  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9806  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2651  -20.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7294  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.5702  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9615  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9379  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6217  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3055  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9894  -18.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 10 12  2  0        0
 11 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (289)
C10H14N2O2S

>  <Compd ID> (289)
BB-03-275

>  <Brand> (289)
DDP

>  <Mol_Weight> (289)
226.295

>  <Exact_Mass> (289)
226.078

>  <Chemical_Name> (289)
N-(2-aminoethyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   32.0024  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2409  -20.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0024  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2869  -20.6811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7512  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5920  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9834  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9597  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  3  2  0        0
  8 10  1  0        0
 10 11  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (290)
C7H8N2O2S

>  <Compd ID> (290)
BB-03-281

>  <Brand> (290)
DDP

>  <Mol_Weight> (290)
184.216

>  <Exact_Mass> (290)
184.031

>  <Chemical_Name> (290)
6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   32.0024  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2409  -20.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0024  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2869  -20.6811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7512  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5920  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9834  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9597  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6435  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3273  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0084  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6894  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6894  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0084  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3273  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3732  -18.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  3  2  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
 10 20  2  0        0
M  END
>  <Formula> (291)
C14H16N4OS

>  <Compd ID> (291)
BB-03-282

>  <Brand> (291)
DDP

>  <Mol_Weight> (291)
288.368

>  <Exact_Mass> (291)
288.104

>  <Chemical_Name> (291)
N-(3-aminobenzyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   32.0025  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2410  -20.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0025  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2869  -20.6812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7512  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5920  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9834  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9597  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6435  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3273  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0112  -18.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  3  2  0        0
  8 10  1  0        0
 10 11  1  0        0
 10 12  2  0        0
 11 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (292)
C9H14N4OS

>  <Compd ID> (292)
BB-03-283

>  <Brand> (292)
DDP

>  <Mol_Weight> (292)
226.299

>  <Exact_Mass> (292)
226.089

>  <Chemical_Name> (292)
N-(2-aminoethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   32.2256  -20.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4641  -19.6707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.2065  -22.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8152  -21.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9744  -19.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2256  -18.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7486  -18.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5101  -19.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.7486  -20.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6554  -19.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3365  -19.9874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.6554  -17.7061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
  5 10  1  0        0
 10 11  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (293)
C7H8N2O2S

>  <Compd ID> (293)
BB-03-289

>  <Brand> (293)
DDP

>  <Mol_Weight> (293)
184.216

>  <Exact_Mass> (293)
184.031

>  <Chemical_Name> (293)
6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   35.7100  -20.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9485  -19.6707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.6909  -22.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.2996  -21.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4588  -19.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7100  -18.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2330  -18.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9945  -19.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   37.2330  -20.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1398  -19.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8209  -19.9874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5019  -19.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1829  -19.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8640  -19.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5450  -19.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2261  -19.2259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1398  -17.7061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5450  -21.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8640  -22.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1829  -21.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
  5 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 10 17  2  0        0
 15 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 13  1  0        0
M  END
>  <Formula> (294)
C14H16N4OS

>  <Compd ID> (294)
BB-03-290

>  <Brand> (294)
DDP

>  <Mol_Weight> (294)
288.368

>  <Exact_Mass> (294)
288.104

>  <Chemical_Name> (294)
N-(3-aminobenzyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-3-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   34.3910  -20.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6295  -19.6707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.3719  -22.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.9806  -21.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1398  -19.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3910  -18.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9140  -18.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6755  -19.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   35.9140  -20.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8209  -19.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5019  -19.9874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.1829  -19.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8640  -19.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5450  -19.2259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.8209  -17.7061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
  5 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 10 15  2  0        0
M  END
>  <Formula> (295)
C9H14N4OS

>  <Compd ID> (295)
BB-03-291

>  <Brand> (295)
DDP

>  <Mol_Weight> (295)
226.299

>  <Exact_Mass> (295)
226.089

>  <Chemical_Name> (295)
N-(2-aminoethyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-3-carboxamide

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
  6 12  2  0        0
M  END
>  <Formula> (296)
C8H10N2O2

>  <Compd ID> (296)
BB-03-297

>  <Brand> (296)
DDP

>  <Mol_Weight> (296)
166.177

>  <Exact_Mass> (296)
166.074

>  <Chemical_Name> (296)
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -18.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
  6 20  2  0        0
M  END
>  <Formula> (297)
C15H18N4O

>  <Compd ID> (297)
BB-03-298

>  <Brand> (297)
DDP

>  <Mol_Weight> (297)
270.33

>  <Exact_Mass> (297)
270.148

>  <Chemical_Name> (297)
N-(3-aminobenzyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.8499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -16.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1269  -18.0900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
  6 12  2  0        0
 11 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (298)
C10H16N4O

>  <Compd ID> (298)
BB-03-299

>  <Brand> (298)
DDP

>  <Mol_Weight> (298)
208.26

>  <Exact_Mass> (298)
208.132

>  <Chemical_Name> (298)
N-(2-aminoethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -16.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
  6 12  2  0        0
M  END
>  <Formula> (299)
C7H8N2O3

>  <Compd ID> (299)
BB-03-305

>  <Brand> (299)
DDP

>  <Mol_Weight> (299)
168.15

>  <Exact_Mass> (299)
168.053

>  <Chemical_Name> (299)
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -17.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -20.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -20.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -20.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -17.9468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -16.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
  6 20  2  0        0
M  END
>  <Formula> (300)
C14H16N4O2

>  <Compd ID> (300)
BB-03-306

>  <Brand> (300)
DDP

>  <Mol_Weight> (300)
272.302

>  <Exact_Mass> (300)
272.127

>  <Chemical_Name> (300)
N-(3-aminobenzyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -16.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1269  -17.9468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
  6 12  2  0        0
 11 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (301)
C9H14N4O2

>  <Compd ID> (301)
BB-03-307

>  <Brand> (301)
DDP

>  <Mol_Weight> (301)
210.233

>  <Exact_Mass> (301)
210.112

>  <Chemical_Name> (301)
N-(2-aminoethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -16.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
  6 12  2  0        0
M  END
>  <Formula> (302)
C7H8N2O2S

>  <Compd ID> (302)
BB-03-313

>  <Brand> (302)
DDP

>  <Mol_Weight> (302)
184.216

>  <Exact_Mass> (302)
184.031

>  <Chemical_Name> (302)
6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -17.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -20.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -20.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -20.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4890  -17.9468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -16.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
  6 20  2  0        0
M  END
>  <Formula> (303)
C14H16N4OS

>  <Compd ID> (303)
BB-03-314

>  <Brand> (303)
DDP

>  <Mol_Weight> (303)
288.368

>  <Exact_Mass> (303)
288.104

>  <Chemical_Name> (303)
N-(3-aminobenzyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -16.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1269  -17.9468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
  6 12  2  0        0
 11 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (304)
C9H14N4OS

>  <Compd ID> (304)
BB-03-315

>  <Brand> (304)
DDP

>  <Mol_Weight> (304)
226.299

>  <Exact_Mass> (304)
226.089

>  <Chemical_Name> (304)
N-(2-aminoethyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   30.7031  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -18.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2134  -19.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0542  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4455  -17.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -18.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -21.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -21.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4218  -18.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -15.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7031  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -25.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -23.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -22.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2721  -22.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 13 18  1  0        0
 17 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  9 21  1  0        0
  6 11  1  0        0
  6 12  2  0        0
M  END
>  <Formula> (305)
C15H15N3O4

>  <Compd ID> (305)
BB-03-321

>  <Brand> (305)
DDP

>  <Mol_Weight> (305)
301.297

>  <Exact_Mass> (305)
301.106

>  <Chemical_Name> (305)
5-((benzyloxy)carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 30 33  0  0  0  0  0  0  0  0999 V2000
   30.7031  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -18.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2134  -19.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0542  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4455  -17.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -18.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -21.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -21.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4218  -18.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1057  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7895  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4705  -17.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1516  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1516  -19.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4705  -20.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7895  -19.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8354  -17.2887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -15.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7031  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -25.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -23.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -22.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2721  -22.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  2  0        0
 22 23  1  0        0
 23 24  2  0        0
 24 25  1  0        0
 25 26  2  0        0
 21 26  1  0        0
 25 27  1  0        0
 27 28  1  0        0
 28 29  1  0        0
 29 30  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  9 29  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
  6 20  2  0        0
M  END
>  <Formula> (306)
C22H23N5O3

>  <Compd ID> (306)
BB-03-322

>  <Brand> (306)
DDP

>  <Mol_Weight> (306)
405.45

>  <Exact_Mass> (306)
405.18

>  <Chemical_Name> (306)
benzyl 2-((3-aminobenzyl)carbamoyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   30.7031  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -18.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2134  -19.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0542  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4455  -17.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -18.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -21.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -21.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4218  -18.0486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -15.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1057  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7895  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4733  -17.2887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7031  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -25.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -23.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -22.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2721  -22.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 16 21  1  0        0
 20 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 25  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  9 24  1  0        0
  6 11  1  0        0
  6 12  2  0        0
 11 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (307)
C17H21N5O3

>  <Compd ID> (307)
BB-03-323

>  <Brand> (307)
DDP

>  <Mol_Weight> (307)
343.38

>  <Exact_Mass> (307)
343.164

>  <Chemical_Name> (307)
benzyl 2-((2-aminoethyl)carbamoyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   31.8437  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -19.1478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3539  -20.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1947  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5861  -18.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1282  -19.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8897  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1282  -21.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -21.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5624  -18.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -16.3558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
  6 12  2  0        0
M  END
>  <Formula> (308)
C7H8N2O3

>  <Compd ID> (308)
BB-03-329

>  <Brand> (308)
DDP

>  <Mol_Weight> (308)
168.15

>  <Exact_Mass> (308)
168.053

>  <Chemical_Name> (308)
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 22  0  0  0  0  0  0  0  0999 V2000
   31.8437  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -19.1478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3539  -20.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1947  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5861  -18.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1281  -19.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8897  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1281  -21.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -21.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5624  -18.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2462  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9301  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6111  -17.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2921  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2921  -20.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6111  -20.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9301  -20.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9760  -17.8756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -16.3558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
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  4  5  2  0        0
  5  2  1  0        0
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  2  7  1  0        0
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  9 10  1  0        0
 10  1  1  0        0
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 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 13  1  0        0
 15 19  1  0        0
  6 20  2  0        0
M  END
>  <Formula> (309)
C14H16N4O2

>  <Compd ID> (309)
BB-03-330

>  <Brand> (309)
DDP

>  <Mol_Weight> (309)
272.302

>  <Exact_Mass> (309)
272.127

>  <Chemical_Name> (309)
N-(3-aminobenzyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   31.8437  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -19.1478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3539  -20.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1947  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5861  -18.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1282  -19.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8897  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1282  -21.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -21.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5624  -18.6355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -16.3558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2462  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9301  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6139  -17.8756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
  6 12  2  0        0
 11 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (310)
C9H14N4O2

>  <Compd ID> (310)
BB-03-331

>  <Brand> (310)
DDP

>  <Mol_Weight> (310)
210.233

>  <Exact_Mass> (310)
210.112

>  <Chemical_Name> (310)
N-(2-aminoethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   34.7181  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1951  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7245  -22.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9566  -23.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1887  -22.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.6114  -19.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1261  -19.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0213  -18.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4018  -17.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8871  -16.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9920  -18.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2951  -15.8835    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   31.8761  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5600  -20.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8761  -18.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  2 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (311)
C10H7FN2O2

>  <Compd ID> (311)
BB-03-337

>  <Brand> (311)
DDP

>  <Mol_Weight> (311)
206.173

>  <Exact_Mass> (311)
206.049

>  <Chemical_Name> (311)
3-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   34.7181  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1951  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7245  -22.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9566  -23.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1887  -22.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.6114  -19.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1261  -19.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0213  -18.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4018  -17.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8871  -16.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9920  -18.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2951  -15.8835    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   31.8761  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5600  -20.8052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2438  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9276  -20.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6087  -20.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2897  -20.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2897  -22.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6087  -23.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9276  -22.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9735  -20.0453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.8761  -18.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  2 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 16  1  0        0
 18 22  1  0        0
 13 23  2  0        0
M  END
>  <Formula> (312)
C17H15FN4O

>  <Compd ID> (312)
BB-03-338

>  <Brand> (312)
DDP

>  <Mol_Weight> (312)
310.326

>  <Exact_Mass> (312)
310.123

>  <Chemical_Name> (312)
N-(3-aminobenzyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   34.7181  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1951  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7245  -22.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9566  -23.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1887  -22.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.6114  -19.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1261  -19.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0213  -18.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4018  -17.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8872  -16.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9920  -18.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2951  -15.8835    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   31.8762  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5600  -20.8052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.8762  -18.5255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2438  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9276  -20.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6115  -20.0453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  2 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
 14 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
M  END
>  <Formula> (313)
C12H13FN4O

>  <Compd ID> (313)
BB-03-339

>  <Brand> (313)
DDP

>  <Mol_Weight> (313)
248.256

>  <Exact_Mass> (313)
248.107

>  <Chemical_Name> (313)
N-(2-aminoethyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   32.0562  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5332  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0626  -24.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2947  -23.9554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.5269  -24.8506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9495  -27.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4642  -27.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3594  -28.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7399  -29.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2253  -30.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3301  -28.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6332  -31.2224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.7436  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4275  -24.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7436  -22.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (314)
C10H7FN2O2

>  <Compd ID> (314)
BB-03-345

>  <Brand> (314)
DDP

>  <Mol_Weight> (314)
206.173

>  <Exact_Mass> (314)
206.049

>  <Chemical_Name> (314)
3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   32.0562  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5332  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0626  -24.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2947  -23.9554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.5269  -24.8506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9495  -27.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4642  -27.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3594  -28.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7399  -29.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2253  -30.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3301  -28.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6332  -31.2224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.7436  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4275  -24.8490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1113  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7951  -24.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4762  -24.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1572  -24.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1572  -26.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4762  -27.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7951  -26.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8410  -24.0891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7436  -22.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 16  1  0        0
 18 22  1  0        0
 13 23  2  0        0
M  END
>  <Formula> (315)
C17H15FN4O

>  <Compd ID> (315)
BB-03-346

>  <Brand> (315)
DDP

>  <Mol_Weight> (315)
310.326

>  <Exact_Mass> (315)
310.123

>  <Chemical_Name> (315)
N-(3-aminobenzyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   32.0562  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5332  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0626  -24.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2947  -23.9554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.5269  -24.8507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9495  -27.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4642  -27.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3594  -28.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7399  -29.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2253  -30.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3301  -28.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6332  -31.2224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.7436  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4275  -24.8490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7436  -22.5694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1113  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7951  -24.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4790  -24.0891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
 14 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
M  END
>  <Formula> (316)
C12H13FN4O

>  <Compd ID> (316)
BB-03-347

>  <Brand> (316)
DDP

>  <Mol_Weight> (316)
248.256

>  <Exact_Mass> (316)
248.107

>  <Chemical_Name> (316)
N-(2-aminoethyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   29.8154  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8154  -20.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -18.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -21.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4046  -18.2890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   25.8641  -21.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -19.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  3  7  1  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 11 14  1  0        0
  7 15  1  0        0
  7 16  2  0        0
M  END
>  <Formula> (317)
C12H8FNO2

>  <Compd ID> (317)
BB-03-353

>  <Brand> (317)
DDP

>  <Mol_Weight> (317)
217.196

>  <Exact_Mass> (317)
217.054

>  <Chemical_Name> (317)
6-(4-fluorophenyl)picolinic acid

$$$$

csCF1200/ 02271116062D

 24 26  0  0  0  0  0  0  0  0999 V2000
   29.8154  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8154  -20.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -18.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -21.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4046  -18.2890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   25.8641  -21.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5479  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2317  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9128  -20.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5938  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5938  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9128  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2317  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2777  -20.5719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -19.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  3  7  1  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 11 14  1  0        0
  7 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 17  1  0        0
 19 23  1  0        0
  7 24  2  0        0
M  END
>  <Formula> (318)
C19H16FN3O

>  <Compd ID> (318)
BB-03-354

>  <Brand> (318)
DDP

>  <Mol_Weight> (318)
321.348

>  <Exact_Mass> (318)
321.128

>  <Chemical_Name> (318)
N-(3-aminobenzyl)-6-(4-fluorophenyl)picolinamide

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   29.8154  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8154  -20.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -18.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -21.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4046  -18.2890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   25.8641  -21.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -19.0521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5479  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2317  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9156  -20.5719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  3  7  1  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 11 14  1  0        0
  7 15  1  0        0
  7 16  2  0        0
 15 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
M  END
>  <Formula> (319)
C14H14FN3O

>  <Compd ID> (319)
BB-03-355

>  <Brand> (319)
DDP

>  <Mol_Weight> (319)
259.279

>  <Exact_Mass> (319)
259.112

>  <Chemical_Name> (319)
N-(2-aminoethyl)-6-(4-fluorophenyl)picolinamide

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   29.8958  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3728  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9022  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1343  -19.4589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.3664  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8118  -19.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1285  -18.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5769  -17.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7088  -18.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3921  -20.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9436  -20.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1542  -18.4735    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2670  -20.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -18.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (320)
C11H7FO2S

>  <Compd ID> (320)
BB-03-361

>  <Brand> (320)
DDP

>  <Mol_Weight> (320)
222.235

>  <Exact_Mass> (320)
222.015

>  <Chemical_Name> (320)
5-(4-fluorophenyl)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   29.8958  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3728  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9022  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1343  -19.4589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.3664  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8118  -19.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1285  -18.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5769  -17.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7088  -18.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3921  -20.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9436  -20.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1542  -18.4735    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2670  -20.3525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9509  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6347  -20.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3157  -19.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9968  -20.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9968  -21.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3157  -22.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6347  -21.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6806  -19.5926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -18.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 16  1  0        0
 18 22  1  0        0
 13 23  2  0        0
M  END
>  <Formula> (321)
C18H15FN2OS

>  <Compd ID> (321)
BB-03-362

>  <Brand> (321)
DDP

>  <Mol_Weight> (321)
326.388

>  <Exact_Mass> (321)
326.089

>  <Chemical_Name> (321)
N-(3-aminobenzyl)-5-(4-fluorophenyl)thiophene-2-carboxamide

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   29.8958  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3728  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9022  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1343  -19.4589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.3664  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8118  -19.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1285  -18.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5769  -17.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7088  -18.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3921  -20.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9436  -20.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1542  -18.4735    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2670  -20.3525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -18.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9509  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6347  -20.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3185  -19.5926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
 14 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
M  END
>  <Formula> (322)
C13H13FN2OS

>  <Compd ID> (322)
BB-03-363

>  <Brand> (322)
DDP

>  <Mol_Weight> (322)
264.319

>  <Exact_Mass> (322)
264.073

>  <Chemical_Name> (322)
N-(2-aminoethyl)-5-(4-fluorophenyl)thiophene-2-carboxamide

$$$$

csCF1200/ 02271116062D

 12 14  0  0  0  0  0  0  0  0999 V2000
   32.4284  -19.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4284  -20.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5053  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.4284  -21.4686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.4284  -22.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1094  -20.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1094  -18.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -19.6302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  2  4  1  0        0
  3  5  1  0        0
  5  6  1  0        0
  4  6  1  0        0
  4  7  1  0        0
  5  8  1  0        0
  1  9  1  0        0
  9 10  1  0        0
 10  8  1  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  1  0        0
M  END
>  <Formula> (323)
C11H18O

>  <Compd ID> (323)
BB-04-001

>  <Brand> (323)
DDP

>  <CAS #> (323)
17471-43-1

>  <Mol_Weight> (323)
166.26

>  <Exact_Mass> (323)
166.136

>  <Chemical_Name> (323)
(1s,3s)-adamantan-1-ylmethanol

$$$$

csCF1200/ 02271116062D

 26 29  0  0  0  0  0  0  0  0999 V2000
   32.6662  -19.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6662  -20.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7431  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -21.4686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -22.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -20.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -18.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0        0
 21 22  1  0        0
 21 23  1  0        0
 21 24  1  0        0
 25 26  2  0        0
 20 25  1  0        0
  1  2  1  0        0
  1  3  1  0        0
  2  4  1  0        0
  3  5  1  0        0
  5  6  1  0        0
  4  6  1  0        0
  4  7  1  0        0
  5  8  1  0        0
  1  9  1  0        0
  9 10  1  0        0
 10  8  1  0        0
 10  7  1  0        0
 10 19  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 11 19  1  0        0
 16 25  1  0        0
M  END
>  <Formula> (324)
C22H37NO3

>  <Compd ID> (324)
BB-04-002

>  <Brand> (324)
DDP

>  <Mol_Weight> (324)
363.534

>  <Exact_Mass> (324)
363.277

>  <Chemical_Name> (324)
tert-butyl 4-(((1s,3s)-adamantan-1-ylmethoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 16 18  0  0  0  0  0  0  0  0999 V2000
   32.6662  -19.3147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6662  -20.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7431  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -21.4686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   32.6662  -22.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -20.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3472  -18.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  1  0        0
  2  4  1  0        0
  3  5  1  0        0
  5  6  1  0        0
  4  6  1  0        0
  4  7  1  0        0
  5  8  1  0        0
  1  9  1  0        0
  9 10  1  0        0
 10  8  1  0        0
 10  7  1  0        0
 10 15  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
 13 16  2  0        0
M  END
>  <Formula> (325)
C13H20O3

>  <Compd ID> (325)
BB-04-003

>  <Brand> (325)
DDP

>  <Mol_Weight> (325)
224.296

>  <Exact_Mass> (325)
224.141

>  <Chemical_Name> (325)
2-((1s,3s)-adamantan-1-ylmethoxy)acetic acid

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.0326  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0326  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8030  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  7  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  1  6  1  0        0
  7  8  1  0        0
M  END
>  <Formula> (326)
C5H8N2O

>  <Compd ID> (326)
BB-04-009

>  <Brand> (326)
DDP

>  <CAS #> (326)
38993-84-9

>  <Mol_Weight> (326)
112.13

>  <Exact_Mass> (326)
112.064

>  <Chemical_Name> (326)
(1-methyl-1H-imidazol-5-yl)methanol

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0408  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  2  1  1  0        0
  2 15  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  1  6  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14  9  1  0        0
  7 15  1  0        0
 12 21  1  0        0
M  END
>  <Formula> (327)
C16H27N3O3

>  <Compd ID> (327)
BB-04-010

>  <Brand> (327)
DDP

>  <Mol_Weight> (327)
309.404

>  <Exact_Mass> (327)
309.205

>  <Chemical_Name> (327)
tert-butyl 4-(((1-methyl-1H-imidazol-5-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0408  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 11  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  1  6  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  1  0        0
  9 12  2  0        0
M  END
>  <Formula> (328)
C7H10N2O3

>  <Compd ID> (328)
BB-04-011

>  <Brand> (328)
DDP

>  <Mol_Weight> (328)
170.166

>  <Exact_Mass> (328)
170.069

>  <Chemical_Name> (328)
2-((1-methyl-1H-imidazol-5-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.0326  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.0326  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9506  -17.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  7  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  5  6  1  0        0
  7  8  1  0        0
M  END
>  <Formula> (329)
C5H7NOS

>  <Compd ID> (329)
BB-04-017

>  <Brand> (329)
DDP

>  <CAS #> (329)
1977-06-6

>  <Mol_Weight> (329)
129.18

>  <Exact_Mass> (329)
129.025

>  <Chemical_Name> (329)
(4-methylthiazol-5-yl)methanol

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -17.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  2  1  1  0        0
  2 15  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  5  6  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14  9  1  0        0
  7 15  1  0        0
 12 21  1  0        0
M  END
>  <Formula> (330)
C16H26N2O3S

>  <Compd ID> (330)
BB-04-018

>  <Brand> (330)
DDP

>  <Mol_Weight> (330)
326.454

>  <Exact_Mass> (330)
326.166

>  <Chemical_Name> (330)
tert-butyl 4-(((4-methylthiazol-5-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -17.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 11  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  5  6  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  1  0        0
  9 12  2  0        0
M  END
>  <Formula> (331)
C7H9NO3S

>  <Compd ID> (331)
BB-04-019

>  <Brand> (331)
DDP

>  <Mol_Weight> (331)
187.216

>  <Exact_Mass> (331)
187.03

>  <Chemical_Name> (331)
2-((4-methylthiazol-5-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.0326  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.0326  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9506  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  7  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  7  8  1  0        0
M  END
>  <Formula> (332)
C5H7NOS

>  <Compd ID> (332)
BB-04-025

>  <Brand> (332)
DDP

>  <CAS #> (332)
56012-38-5

>  <Mol_Weight> (332)
129.18

>  <Exact_Mass> (332)
129.025

>  <Chemical_Name> (332)
(2-methylthiazol-5-yl)methanol

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  2  1  1  0        0
  2 15  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14  9  1  0        0
  7 15  1  0        0
 12 21  1  0        0
M  END
>  <Formula> (333)
C16H26N2O3S

>  <Compd ID> (333)
BB-04-026

>  <Brand> (333)
DDP

>  <Mol_Weight> (333)
326.454

>  <Exact_Mass> (333)
326.166

>  <Chemical_Name> (333)
tert-butyl 4-(((2-methylthiazol-5-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 11  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  1  0        0
  9 12  2  0        0
M  END
>  <Formula> (334)
C7H9NO3S

>  <Compd ID> (334)
BB-04-027

>  <Brand> (334)
DDP

>  <Mol_Weight> (334)
187.216

>  <Exact_Mass> (334)
187.03

>  <Chemical_Name> (334)
2-((2-methylthiazol-5-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

  8  8  0  0  0  0  0  0  0  0999 V2000
   30.0326  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.0326  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.9506  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2  7  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  7  8  1  0        0
M  END
>  <Formula> (335)
C4H6N2OS

>  <Compd ID> (335)
BB-04-033

>  <Brand> (335)
DDP

>  <Mol_Weight> (335)
130.168

>  <Exact_Mass> (335)
130.02

>  <Chemical_Name> (335)
(5-methyl-1,3,4-thiadiazol-2-yl)methanol

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  2  1  1  0        0
  2 15  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14  9  1  0        0
  7 15  1  0        0
 12 21  1  0        0
M  END
>  <Formula> (336)
C15H25N3O3S

>  <Compd ID> (336)
BB-04-034

>  <Brand> (336)
DDP

>  <Mol_Weight> (336)
327.442

>  <Exact_Mass> (336)
327.162

>  <Chemical_Name> (336)
tert-butyl 4-(((5-methyl-1,3,4-thiadiazol-2-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6140  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7188  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1884  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  2 11  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  1  0        0
  9 12  2  0        0
M  END
>  <Formula> (337)
C6H8N2O3S

>  <Compd ID> (337)
BB-04-035

>  <Brand> (337)
DDP

>  <Mol_Weight> (337)
188.204

>  <Exact_Mass> (337)
188.026

>  <Chemical_Name> (337)
2-((5-methyl-1,3,4-thiadiazol-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.4967  -20.7402    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.4967  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9452  -21.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8404  -19.9787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.9452  -18.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4148  -22.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1778  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8616  -19.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9760  -21.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4440  -22.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0507  -23.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8374  -20.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9120  -22.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9014  -22.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3710  -24.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0        0
 10 11  1  0        0
 10 12  1  0        0
 10 13  1  0        0
 14 15  2  0        0
  9 14  1  0        0
  2  1  1  0        0
  2  7  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  6 14  1  0        0
  7  8  1  0        0
M  END
>  <Formula> (338)
C9H14N2O3S

>  <Compd ID> (338)
BB-04-041

>  <Brand> (338)
DDP

>  <Mol_Weight> (338)
230.284

>  <Exact_Mass> (338)
230.073

>  <Chemical_Name> (338)
tert-butyl (5-(hydroxymethyl)thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 32 34  0  0  0  0  0  0  0  0999 V2000
   26.6792  -19.6956    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.6792  -18.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1277  -20.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0229  -18.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.1277  -17.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5973  -21.6116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0413  -18.1726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7251  -17.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4090  -18.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0900  -17.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7710  -18.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7710  -19.6956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0900  -20.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4090  -19.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3603  -17.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1585  -20.8530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6265  -21.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2332  -22.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0199  -19.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0945  -21.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0839  -21.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5535  -23.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8658  -25.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3978  -25.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0045  -23.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0791  -22.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5471  -22.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9405  -24.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6217  -21.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2284  -20.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3030  -19.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9097  -17.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
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  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14  9  1  0        0
  7 15  1  0        0
 12 31  1  0        0
M  END
>  <Formula> (339)
C23H31N3O5S

>  <Compd ID> (339)
BB-04-042

>  <Brand> (339)
DDP

>  <Mol_Weight> (339)
461.574

>  <Exact_Mass> (339)
461.198

>  <Chemical_Name> (339)
benzyl 4-(((2-((tert-butoxycarbonyl)amino)thiazol-5-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   27.7345  -20.7402    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.7345  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -21.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0781  -19.9787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -18.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6526  -22.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0966  -19.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7804  -18.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4642  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1453  -18.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4155  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4642  -20.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.2138  -21.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6818  -22.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2884  -23.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0751  -20.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1498  -22.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1391  -22.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6088  -24.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  2  1  1  0        0
  2 11  1  0        0
  1  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  6 18  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  1  0        0
  9 12  2  0        0
M  END
>  <Formula> (340)
C11H16N2O5S

>  <Compd ID> (340)
BB-04-043

>  <Brand> (340)
DDP

>  <Mol_Weight> (340)
288.32

>  <Exact_Mass> (340)
288.078

>  <Chemical_Name> (340)
2-((2-((tert-butoxycarbonyl)amino)thiazol-5-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.4967  -20.7402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4967  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9452  -21.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8404  -19.9787    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.9452  -18.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4148  -22.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1778  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8616  -19.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9760  -21.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4440  -22.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0507  -23.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8374  -20.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9120  -22.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9014  -22.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3710  -24.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0        0
 10 11  1  0        0
 10 12  1  0        0
 10 13  1  0        0
 14 15  2  0        0
  9 14  1  0        0
  2  1  1  0        0
  2  7  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  6 14  1  0        0
  7  8  1  0        0
M  END
>  <Formula> (341)
C9H14N2O3S

>  <Compd ID> (341)
BB-04-049

>  <Brand> (341)
DDP

>  <CAS #> (341)
494769-44-7

>  <Mol_Weight> (341)
230.284

>  <Exact_Mass> (341)
230.073

>  <Chemical_Name> (341)
tert-butyl (4-(hydroxymethyl)thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 32 34  0  0  0  0  0  0  0  0999 V2000
   26.6792  -19.6956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6792  -18.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1277  -20.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0229  -18.9341    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.1277  -17.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5973  -21.6116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0413  -18.1726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7251  -17.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4090  -18.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0900  -17.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7710  -18.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7710  -19.6956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0900  -20.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4090  -19.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3603  -17.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1585  -20.8530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6265  -21.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2332  -22.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0199  -19.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0945  -21.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0839  -21.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5535  -23.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8658  -25.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3978  -25.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0045  -23.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0791  -22.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5471  -22.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9405  -24.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6217  -21.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2284  -20.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3030  -19.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9097  -17.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
 23 24  2  0        0
 24 25  1  0        0
 25 26  2  0        0
 26 27  1  0        0
 27 28  2  0        0
 23 28  1  0        0
 27 29  1  0        0
 29 30  1  0        0
 30 31  1  0        0
 31 32  2  0        0
  2  1  1  0        0
  2 15  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  6 21  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14  9  1  0        0
  7 15  1  0        0
 12 31  1  0        0
M  END
>  <Formula> (342)
C23H31N3O5S

>  <Compd ID> (342)
BB-04-050

>  <Brand> (342)
DDP

>  <Mol_Weight> (342)
461.574

>  <Exact_Mass> (342)
461.198

>  <Chemical_Name> (342)
benzyl 4-(((2-((tert-butoxycarbonyl)amino)thiazol-4-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   27.7345  -20.7402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7345  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -21.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0781  -19.9787    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.1829  -18.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6526  -22.6562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0966  -19.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7804  -18.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4642  -19.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1453  -18.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4155  -18.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4642  -20.7370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.2138  -21.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.6818  -22.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2884  -23.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0751  -20.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1498  -22.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1391  -22.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6088  -24.4176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  2  1  1  0        0
  2 11  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  2  2  0        0
  3  6  1  0        0
  6 18  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  1  0        0
  9 12  2  0        0
M  END
>  <Formula> (343)
C11H16N2O5S

>  <Compd ID> (343)
BB-04-051

>  <Brand> (343)
DDP

>  <Mol_Weight> (343)
288.32

>  <Exact_Mass> (343)
288.078

>  <Chemical_Name> (343)
2-((2-((tert-butoxycarbonyl)amino)thiazol-4-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 10 10  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7164  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  2  7  1  0        0
  6  8  1  0        0
  9 10  1  0        0
M  END
>  <Formula> (344)
C7H6Br2O

>  <Compd ID> (344)
BB-04-057

>  <Brand> (344)
DDP

>  <Mol_Weight> (344)
265.93

>  <Exact_Mass> (344)
263.879

>  <Chemical_Name> (344)
(2,6-dibromophenyl)methanol

$$$$

csCF1200/ 02271116062D

 24 25  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0        0
 19 20  1  0        0
 19 21  1  0        0
 19 22  1  0        0
 23 24  2  0        0
 18 23  1  0        0
  1 17  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  2  7  1  0        0
  6  8  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 11  1  0        0
  9 17  1  0        0
 14 23  1  0        0
M  END
>  <Formula> (345)
C18H25Br2NO3

>  <Compd ID> (345)
BB-04-058

>  <Brand> (345)
DDP

>  <Mol_Weight> (345)
463.204

>  <Exact_Mass> (345)
461.02

>  <Chemical_Name> (345)
tert-butyl 4-(((2,6-dibromobenzyl)oxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 14 14  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  2  7  1  0        0
  6  8  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
  9 13  1  0        0
 11 14  2  0        0
M  END
>  <Formula> (346)
C9H8Br2O3

>  <Compd ID> (346)
BB-04-059

>  <Brand> (346)
DDP

>  <Mol_Weight> (346)
323.966

>  <Exact_Mass> (346)
321.884

>  <Chemical_Name> (346)
2-((2,6-dibromobenzyl)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 11  0  0  0  0  0  0  0  0999 V2000
   30.0325  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9866  -19.6318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -20.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -16.5874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  3  0        0
  1  8  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6 10  1  0        0
  5  7  1  0        0
  8  9  1  0        0
M  END
>  <Formula> (347)
C8H6ClNO

>  <Compd ID> (347)
BB-04-065

>  <Brand> (347)
DDP

>  <Mol_Weight> (347)
167.592

>  <Exact_Mass> (347)
167.014

>  <Chemical_Name> (347)
2-chloro-6-(hydroxymethyl)benzonitrile

$$$$

csCF1200/ 02271116062D

 25 26  0  0  0  0  0  0  0  0999 V2000
   30.2717  -20.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2717  -21.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5906  -22.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9096  -21.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9096  -20.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5906  -19.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2258  -19.6310    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   27.6338  -20.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3176  -19.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0014  -20.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6825  -19.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3635  -20.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3635  -21.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6825  -22.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0014  -21.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9527  -19.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5906  -18.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5906  -16.5866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7256  -21.9139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4066  -22.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0877  -23.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4066  -24.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0877  -21.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0446  -22.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0446  -24.1984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  3  0        0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1 16  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6 17  1  0        0
  5  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 10  1  0        0
  8 16  1  0        0
 13 24  1  0        0
M  END
>  <Formula> (348)
C19H25ClN2O3

>  <Compd ID> (348)
BB-04-066

>  <Brand> (348)
DDP

>  <Mol_Weight> (348)
364.866

>  <Exact_Mass> (348)
364.155

>  <Chemical_Name> (348)
tert-butyl 4-(((3-chloro-2-cyanobenzyl)oxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -19.6318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -20.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -19.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.9114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -16.5874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  3  0        0
  1 12  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6 14  1  0        0
  5  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  1  0        0
  8 12  1  0        0
 10 13  2  0        0
M  END
>  <Formula> (349)
C10H8ClNO3

>  <Compd ID> (349)
BB-04-067

>  <Brand> (349)
DDP

>  <Mol_Weight> (349)
225.628

>  <Exact_Mass> (349)
225.019

>  <Chemical_Name> (349)
2-((3-chloro-2-cyanobenzyl)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 11  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9866  -18.8703    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -23.4344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  5  8  1  0        0
  3  9  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (350)
C7H6Br2O2

>  <Compd ID> (350)
BB-04-073

>  <Brand> (350)
DDP

>  <CAS #> (350)
218354-2

>  <Mol_Weight> (350)
281.929

>  <Exact_Mass> (350)
279.873

>  <Chemical_Name> (350)
2,4-dibromo-6-(hydroxymethyl)phenol

$$$$

csCF1200/ 02271116062D

 25 26  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -18.8703    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1 18  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  5  8  1  0        0
  3  9  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 12  1  0        0
 10 18  1  0        0
 15 24  1  0        0
M  END
>  <Formula> (351)
C18H25Br2NO4

>  <Compd ID> (351)
BB-04-074

>  <Brand> (351)
DDP

>  <Mol_Weight> (351)
479.203

>  <Exact_Mass> (351)
477.015

>  <Chemical_Name> (351)
tert-butyl 4-(((3,5-dibromo-2-hydroxybenzyl)oxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.2244  -18.8703    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4344    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  5  8  1  0        0
  3  9  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 10 14  1  0        0
 12 15  2  0        0
M  END
>  <Formula> (352)
C9H8Br2O4

>  <Compd ID> (352)
BB-04-075

>  <Brand> (352)
DDP

>  <Mol_Weight> (352)
339.965

>  <Exact_Mass> (352)
337.879

>  <Chemical_Name> (352)
2-((3,5-dibromo-2-hydroxybenzyl)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 10 10  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7164  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  2  8  1  0        0
  9 10  1  0        0
M  END
>  <Formula> (353)
C6H5Br2NO

>  <Compd ID> (353)
BB-04-081

>  <Brand> (353)
DDP

>  <Mol_Weight> (353)
266.918

>  <Exact_Mass> (353)
264.874

>  <Chemical_Name> (353)
(3,5-dibromopyridin-4-yl)methanol

$$$$

csCF1200/ 02271116062D

 24 25  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0        0
 19 20  1  0        0
 19 21  1  0        0
 19 22  1  0        0
 23 24  2  0        0
 18 23  1  0        0
  1 17  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  2  8  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 11  1  0        0
  9 17  1  0        0
 14 23  1  0        0
M  END
>  <Formula> (354)
C17H24Br2N2O3

>  <Compd ID> (354)
BB-04-082

>  <Brand> (354)
DDP

>  <Mol_Weight> (354)
464.192

>  <Exact_Mass> (354)
462.015

>  <Chemical_Name> (354)
tert-butyl 4-(((3,5-dibromopyridin-4-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 14 14  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3489    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.9541  -21.9131    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  6  7  1  0        0
  2  8  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
  9 13  1  0        0
 11 14  2  0        0
M  END
>  <Formula> (355)
C8H7Br2NO3

>  <Compd ID> (355)
BB-04-083

>  <Brand> (355)
DDP

>  <Mol_Weight> (355)
324.954

>  <Exact_Mass> (355)
322.879

>  <Chemical_Name> (355)
2-((3,5-dibromopyridin-4-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8992  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9452  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4650  -20.3917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
 13 14  1  0        0
M  END
>  <Formula> (356)
C10H8BrNO2

>  <Compd ID> (356)
BB-04-089

>  <Brand> (356)
DDP

>  <CAS #> (356)
640291-96-9

>  <Mol_Weight> (356)
254.08

>  <Exact_Mass> (356)
252.974

>  <Chemical_Name> (356)
(5-(4-bromophenyl)isoxazol-3-yl)methanol

$$$$

csCF1200/ 02271116062D

 28 30  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7027  -20.3917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0        0
 23 24  1  0        0
 23 25  1  0        0
 23 26  1  0        0
 27 28  2  0        0
 22 27  1  0        0
  1 21  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 15  1  0        0
 13 21  1  0        0
 18 27  1  0        0
M  END
>  <Formula> (357)
C21H27BrN2O4

>  <Compd ID> (357)
BB-04-090

>  <Brand> (357)
DDP

>  <Mol_Weight> (357)
451.354

>  <Exact_Mass> (357)
450.115

>  <Chemical_Name> (357)
tert-butyl 4-(((5-(4-bromophenyl)isoxazol-3-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7027  -20.3917    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 13 17  1  0        0
 15 18  2  0        0
M  END
>  <Formula> (358)
C12H10BrNO4

>  <Compd ID> (358)
BB-04-091

>  <Brand> (358)
DDP

>  <Mol_Weight> (358)
312.116

>  <Exact_Mass> (358)
310.979

>  <Chemical_Name> (358)
2-((5-(4-bromophenyl)isoxazol-3-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8992  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9452  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 12 13  1  0        0
M  END
>  <Formula> (359)
C9H8N2OS

>  <Compd ID> (359)
BB-04-097

>  <Brand> (359)
DDP

>  <Mol_Weight> (359)
192.238

>  <Exact_Mass> (359)
192.036

>  <Chemical_Name> (359)
(2-(pyridin-4-yl)thiazol-4-yl)methanol

$$$$

csCF1200/ 02271116062D

 27 29  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0        0
 22 23  1  0        0
 22 24  1  0        0
 22 25  1  0        0
 26 27  2  0        0
 21 26  1  0        0
  1 20  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 14  1  0        0
 12 20  1  0        0
 17 26  1  0        0
M  END
>  <Formula> (360)
C20H27N3O3S

>  <Compd ID> (360)
BB-04-098

>  <Brand> (360)
DDP

>  <Mol_Weight> (360)
389.512

>  <Exact_Mass> (360)
389.177

>  <Chemical_Name> (360)
tert-butyl 4-(((2-(pyridin-4-yl)thiazol-4-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 12 16  1  0        0
 14 17  2  0        0
M  END
>  <Formula> (361)
C11H10N2O3S

>  <Compd ID> (361)
BB-04-099

>  <Brand> (361)
DDP

>  <Mol_Weight> (361)
250.274

>  <Exact_Mass> (361)
250.041

>  <Chemical_Name> (361)
2-((2-(pyridin-4-yl)thiazol-4-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.8992  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9452  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1837  -19.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.6607  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8030  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  2 12  1  0        0
 13 14  1  0        0
M  END
>  <Formula> (362)
C10H10N2OS

>  <Compd ID> (362)
BB-04-105

>  <Brand> (362)
DDP

>  <Mol_Weight> (362)
206.264

>  <Exact_Mass> (362)
206.051

>  <Chemical_Name> (362)
(4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methanol

$$$$

csCF1200/ 02271116062D

 28 30  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0        0
 23 24  1  0        0
 23 25  1  0        0
 23 26  1  0        0
 27 28  2  0        0
 22 27  1  0        0
  1 21  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  2 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 15  1  0        0
 13 21  1  0        0
 18 27  1  0        0
M  END
>  <Formula> (363)
C21H29N3O3S

>  <Compd ID> (363)
BB-04-106

>  <Brand> (363)
DDP

>  <Mol_Weight> (363)
403.538

>  <Exact_Mass> (363)
403.193

>  <Chemical_Name> (363)
tert-butyl 4-(((4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   34.1369  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -21.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1829  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4214  -19.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8984  -19.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  2 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 13 17  1  0        0
 15 18  2  0        0
M  END
>  <Formula> (364)
C12H12N2O3S

>  <Compd ID> (364)
BB-04-107

>  <Brand> (364)
DDP

>  <Mol_Weight> (364)
264.3

>  <Exact_Mass> (364)
264.057

>  <Chemical_Name> (364)
2-((4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (365)
C9H8O2

>  <Compd ID> (365)
BB-04-113

>  <Brand> (365)
DDP

>  <CAS #> (365)
55038-01-2

>  <Mol_Weight> (365)
148.159

>  <Exact_Mass> (365)
148.052

>  <Chemical_Name> (365)
benzofuran-2-ylmethanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1 18  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 12  1  0        0
 10 18  1  0        0
 15 24  1  0        0
M  END
>  <Formula> (366)
C20H27NO4

>  <Compd ID> (366)
BB-04-114

>  <Brand> (366)
DDP

>  <Mol_Weight> (366)
345.433

>  <Exact_Mass> (366)
345.194

>  <Chemical_Name> (366)
tert-butyl 4-((benzofuran-2-ylmethoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 10 14  1  0        0
 12 15  2  0        0
M  END
>  <Formula> (367)
C11H10O4

>  <Compd ID> (367)
BB-04-115

>  <Brand> (367)
DDP

>  <Mol_Weight> (367)
206.195

>  <Exact_Mass> (367)
206.058

>  <Chemical_Name> (367)
2-(benzofuran-2-ylmethoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (368)
C9H8OS

>  <Compd ID> (368)
BB-04-121

>  <Brand> (368)
DDP

>  <CAS #> (368)
17890-56-1

>  <Mol_Weight> (368)
164.224

>  <Exact_Mass> (368)
164.03

>  <Chemical_Name> (368)
benzo[b]thiophen-2-ylmethanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1 18  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 12  1  0        0
 10 18  1  0        0
 15 24  1  0        0
M  END
>  <Formula> (369)
C20H27NO3S

>  <Compd ID> (369)
BB-04-122

>  <Brand> (369)
DDP

>  <Mol_Weight> (369)
361.498

>  <Exact_Mass> (369)
361.171

>  <Chemical_Name> (369)
tert-butyl 4-((benzo[b]thiophen-2-ylmethoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -23.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -23.1743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -21.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  2  0        0
  3  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  4  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 10 14  1  0        0
 12 15  2  0        0
M  END
>  <Formula> (370)
C11H10O3S

>  <Compd ID> (370)
BB-04-123

>  <Brand> (370)
DDP

>  <Mol_Weight> (370)
222.26

>  <Exact_Mass> (370)
222.035

>  <Chemical_Name> (370)
2-(benzo[b]thiophen-2-ylmethoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (371)
C9H8O2

>  <Compd ID> (371)
BB-04-129

>  <Brand> (371)
DDP

>  <CAS #> (371)
4687-23-4

>  <Mol_Weight> (371)
148.159

>  <Exact_Mass> (371)
148.052

>  <Chemical_Name> (371)
benzofuran-3-ylmethanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1 18  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 12  1  0        0
 10 18  1  0        0
 15 24  1  0        0
M  END
>  <Formula> (372)
C20H27NO4

>  <Compd ID> (372)
BB-04-130

>  <Brand> (372)
DDP

>  <Mol_Weight> (372)
345.433

>  <Exact_Mass> (372)
345.194

>  <Chemical_Name> (372)
tert-butyl 4-((benzofuran-3-ylmethoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 10 14  1  0        0
 12 15  2  0        0
M  END
>  <Formula> (373)
C11H10O4

>  <Compd ID> (373)
BB-04-131

>  <Brand> (373)
DDP

>  <Mol_Weight> (373)
206.195

>  <Exact_Mass> (373)
206.058

>  <Chemical_Name> (373)
2-(benzofuran-3-ylmethoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (374)
C9H8OS

>  <Compd ID> (374)
BB-04-137

>  <Brand> (374)
DDP

>  <CAS #> (374)
5381-24-8

>  <Mol_Weight> (374)
164.224

>  <Exact_Mass> (374)
164.03

>  <Chemical_Name> (374)
benzo[b]thiophen-3-ylmethanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1 18  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 12  1  0        0
 10 18  1  0        0
 15 24  1  0        0
M  END
>  <Formula> (375)
C20H27NO3S

>  <Compd ID> (375)
BB-04-138

>  <Brand> (375)
DDP

>  <Mol_Weight> (375)
361.498

>  <Exact_Mass> (375)
361.171

>  <Chemical_Name> (375)
tert-butyl 4-((benzo[b]thiophen-3-ylmethoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 10 14  1  0        0
 12 15  2  0        0
M  END
>  <Formula> (376)
C11H10O3S

>  <Compd ID> (376)
BB-04-139

>  <Brand> (376)
DDP

>  <Mol_Weight> (376)
222.26

>  <Exact_Mass> (376)
222.035

>  <Chemical_Name> (376)
2-(benzo[b]thiophen-3-ylmethoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -18.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (377)
C7H7N3O

>  <Compd ID> (377)
BB-04-145

>  <Brand> (377)
DDP

>  <Mol_Weight> (377)
149.15

>  <Exact_Mass> (377)
149.059

>  <Chemical_Name> (377)
imidazo[1,2-a]pyrazin-3-ylmethanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1 18  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 12  1  0        0
 10 18  1  0        0
 15 24  1  0        0
M  END
>  <Formula> (378)
C18H26N4O3

>  <Compd ID> (378)
BB-04-146

>  <Brand> (378)
DDP

>  <Mol_Weight> (378)
346.424

>  <Exact_Mass> (378)
346.2

>  <Chemical_Name> (378)
tert-butyl 4-((imidazo[1,2-a]pyrazin-3-ylmethoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 10 14  1  0        0
 12 15  2  0        0
M  END
>  <Formula> (379)
C9H9N3O3

>  <Compd ID> (379)
BB-04-147

>  <Brand> (379)
DDP

>  <Mol_Weight> (379)
207.186

>  <Exact_Mass> (379)
207.064

>  <Chemical_Name> (379)
2-(imidazo[1,2-a]pyrazin-3-ylmethoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8030  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
 11 12  1  0        0
M  END
>  <Formula> (380)
C9H10N2O

>  <Compd ID> (380)
BB-04-153

>  <Brand> (380)
DDP

>  <CAS #> (380)
30489-44-2

>  <Mol_Weight> (380)
162.189

>  <Exact_Mass> (380)
162.079

>  <Chemical_Name> (380)
(2-methylimidazo[1,2-a]pyridin-3-yl)methanol

$$$$

csCF1200/ 02271116062D

 26 28  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0        0
 21 22  1  0        0
 21 23  1  0        0
 21 24  1  0        0
 25 26  2  0        0
 20 25  1  0        0
  1 19  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 11 19  1  0        0
 16 25  1  0        0
M  END
>  <Formula> (381)
C20H29N3O3

>  <Compd ID> (381)
BB-04-154

>  <Brand> (381)
DDP

>  <Mol_Weight> (381)
359.463

>  <Exact_Mass> (381)
359.221

>  <Chemical_Name> (381)
tert-butyl 4-(((2-methylimidazo[1,2-a]pyridin-3-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
 13 16  2  0        0
M  END
>  <Formula> (382)
C11H12N2O3

>  <Compd ID> (382)
BB-04-155

>  <Brand> (382)
DDP

>  <Mol_Weight> (382)
220.225

>  <Exact_Mass> (382)
220.085

>  <Chemical_Name> (382)
2-((2-methylimidazo[1,2-a]pyridin-3-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3762  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4810  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.8909  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5103  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6151  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1005  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8030  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0218  -18.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
  7 11  1  0        0
 12 13  1  0        0
M  END
>  <Formula> (383)
C10H12N2O

>  <Compd ID> (383)
BB-04-161

>  <Brand> (383)
DDP

>  <Mol_Weight> (383)
176.215

>  <Exact_Mass> (383)
176.095

>  <Chemical_Name> (383)
(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methanol

$$$$

csCF1200/ 02271116062D

 27 29  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7480  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2595  -18.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0        0
 22 23  1  0        0
 22 24  1  0        0
 22 25  1  0        0
 26 27  2  0        0
 21 26  1  0        0
  1 20  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
  7 11  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 14  1  0        0
 12 20  1  0        0
 17 26  1  0        0
M  END
>  <Formula> (384)
C21H31N3O3

>  <Compd ID> (384)
BB-04-162

>  <Brand> (384)
DDP

>  <Mol_Weight> (384)
373.489

>  <Exact_Mass> (384)
373.237

>  <Chemical_Name> (384)
tert-butyl 4-(((2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -21.6238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6139  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7187  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.1286  -20.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7481  -18.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8529  -17.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3382  -17.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0407  -22.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2595  -18.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  1  1  0        0
  4  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  5  1  0        0
  2 10  1  0        0
  7 11  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 12 16  1  0        0
 14 17  2  0        0
M  END
>  <Formula> (385)
C12H14N2O3

>  <Compd ID> (385)
BB-04-163

>  <Brand> (385)
DDP

>  <Mol_Weight> (385)
234.251

>  <Exact_Mass> (385)
234.1

>  <Chemical_Name> (385)
2-((2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8023  -18.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1828  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6681  -17.3790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1625  -16.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0878  -15.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1625  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0132  -16.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0132  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6490  -16.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1187  -14.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0        0
 13 14  1  0        0
 13 15  1  0        0
 13 16  1  0        0
 17 18  2  0        0
 12 17  1  0        0
  1 10  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  6  1  0        0
  9 17  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (386)
C14H19NO3

>  <Compd ID> (386)
BB-04-169

>  <Brand> (386)
DDP

>  <CAS #> (386)
1030846-88-8

>  <Mol_Weight> (386)
249.306

>  <Exact_Mass> (386)
249.136

>  <Chemical_Name> (386)
tert-butyl 7-(hydroxymethyl)indoline-1-carboxylate

$$$$

csCF1200/ 02271116062D

 35 38  0  0  0  0  0  0  0  0999 V2000
   29.2166  -17.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2166  -19.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5356  -20.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8545  -19.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8545  -17.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5356  -17.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9863  -16.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3669  -15.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8522  -15.6744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5787  -17.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2625  -17.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9463  -17.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6274  -17.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3084  -17.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3084  -19.4486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6274  -20.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9463  -19.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8976  -17.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3465  -14.8585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2719  -13.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3465  -12.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1973  -14.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1973  -12.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8331  -14.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3028  -13.0971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4001  -25.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9321  -24.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5387  -23.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6134  -22.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0814  -22.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4747  -24.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1560  -21.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7627  -20.1290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8373  -19.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4440  -17.5864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
 26 27  2  0        0
 27 28  1  0        0
 28 29  2  0        0
 29 30  1  0        0
 30 31  2  0        0
 26 31  1  0        0
 30 32  1  0        0
 32 33  1  0        0
 33 34  1  0        0
 34 35  2  0        0
  1 18  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  6  1  0        0
  9 24  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 12  1  0        0
 10 18  1  0        0
 15 34  1  0        0
M  END
>  <Formula> (387)
C28H36N2O5

>  <Compd ID> (387)
BB-04-170

>  <Brand> (387)
DDP

>  <Mol_Weight> (387)
480.596

>  <Exact_Mass> (387)
480.262

>  <Chemical_Name> (387)
tert-butyl 7-(((1-((benzyloxy)carbonyl)piperidin-4-yl)methoxy)methyl)indoline-1-carboxylate

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -16.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.3256  -15.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4002  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -16.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2509  -14.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8868  -16.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3564  -14.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  1 14  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  6  1  0        0
  9 21  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 10 14  1  0        0
 12 15  2  0        0
M  END
>  <Formula> (388)
C16H21NO5

>  <Compd ID> (388)
BB-04-171

>  <Brand> (388)
DDP

>  <Mol_Weight> (388)
307.342

>  <Exact_Mass> (388)
307.142

>  <Chemical_Name> (388)
2-((1-(tert-butoxycarbonyl)indolin-7-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8022  -18.6111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.1828  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6681  -17.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (389)
C9H8OS

>  <Compd ID> (389)
BB-04-177

>  <Brand> (389)
DDP

>  <Mol_Weight> (389)
164.224

>  <Exact_Mass> (389)
164.03

>  <Chemical_Name> (389)
benzo[b]thiophen-4-ylmethanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1 18  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 12  1  0        0
 10 18  1  0        0
 15 24  1  0        0
M  END
>  <Formula> (390)
C20H27NO3S

>  <Compd ID> (390)
BB-04-178

>  <Brand> (390)
DDP

>  <Mol_Weight> (390)
361.498

>  <Exact_Mass> (390)
361.171

>  <Chemical_Name> (390)
tert-butyl 4-((benzo[b]thiophen-4-ylmethoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0400  -18.6111    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4205  -17.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9059  -17.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 10 14  1  0        0
 12 15  2  0        0
M  END
>  <Formula> (391)
C11H10O3S

>  <Compd ID> (391)
BB-04-179

>  <Brand> (391)
DDP

>  <Mol_Weight> (391)
222.26

>  <Exact_Mass> (391)
222.035

>  <Chemical_Name> (391)
2-(benzo[b]thiophen-4-ylmethoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.0835  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0835  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4025  -22.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7214  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7214  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4025  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8533  -19.6365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.2338  -18.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7191  -18.4043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.9937  -16.9290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7646  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4484  -20.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7124  -15.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9525  -14.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2687  -13.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6363  -15.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1926  -12.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2322  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9921  -14.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  1 11  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
  8 10  1  0        0
 10 18  1  0        0
 11 12  1  0        0
M  END
>  <Formula> (392)
C13H16N2O3S

>  <Compd ID> (392)
BB-04-185

>  <Brand> (392)
DDP

>  <Mol_Weight> (392)
280.343

>  <Exact_Mass> (392)
280.088

>  <Chemical_Name> (392)
tert-butyl (4-(hydroxymethyl)benzo[d]thiazol-2-yl)carbamate

$$$$

csCF1200/ 02271116062D

 36 39  0  0  0  0  0  0  0  0999 V2000
   29.2661  -18.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2661  -20.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5850  -21.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9040  -20.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9040  -18.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5850  -18.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0358  -17.9289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.4163  -16.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9017  -16.6967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1762  -15.2214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6281  -18.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3120  -18.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9958  -18.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6768  -18.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3579  -18.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3579  -20.4709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6768  -21.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9958  -20.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9471  -18.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8965  -13.9052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1366  -12.5890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4528  -11.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8205  -13.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3768  -11.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4163  -13.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1762  -12.5890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4526  -26.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9846  -25.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5913  -24.3762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6659  -23.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1339  -23.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5273  -25.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2086  -22.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8152  -21.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8899  -20.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4965  -18.6096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0        0
 21 22  1  0        0
 21 23  1  0        0
 21 24  1  0        0
 25 26  2  0        0
 20 25  1  0        0
 27 28  2  0        0
 28 29  1  0        0
 29 30  2  0        0
 30 31  1  0        0
 31 32  2  0        0
 27 32  1  0        0
 31 33  1  0        0
 33 34  1  0        0
 34 35  1  0        0
 35 36  2  0        0
  1 19  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
  8 10  1  0        0
 10 25  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 11 19  1  0        0
 16 35  1  0        0
M  END
>  <Formula> (393)
C27H33N3O5S

>  <Compd ID> (393)
BB-04-186

>  <Brand> (393)
DDP

>  <Mol_Weight> (393)
511.633

>  <Exact_Mass> (393)
511.214

>  <Chemical_Name> (393)
benzyl 4-(((2-((tert-butoxycarbonyl)amino)benzo[d]thiazol-4-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 23 24  0  0  0  0  0  0  0  0999 V2000
   30.3213  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3213  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6402  -22.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -22.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9592  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6402  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0910  -19.6365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.4716  -18.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9569  -18.4043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.2314  -16.9290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6834  -20.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3672  -19.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0510  -20.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7321  -19.8940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0023  -19.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0510  -22.1753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9502  -15.6100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -14.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5064  -13.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8741  -15.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4304  -12.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4699  -15.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2298  -14.2938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  1  0        0
 18 19  1  0        0
 18 20  1  0        0
 18 21  1  0        0
 22 23  2  0        0
 17 22  1  0        0
  1 15  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  6  1  0        0
  8 10  1  0        0
 10 22  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
 13 16  2  0        0
M  END
>  <Formula> (394)
C15H18N2O5S

>  <Compd ID> (394)
BB-04-187

>  <Brand> (394)
DDP

>  <Mol_Weight> (394)
338.379

>  <Exact_Mass> (394)
338.094

>  <Chemical_Name> (394)
2-((2-((tert-butoxycarbonyl)amino)benzo[d]thiazol-4-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1189  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0141  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1189  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.5885  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5339  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  2  0        0
  7 10  1  0        0
  8 11  1  0        0
 12 13  1  0        0
M  END
>  <Formula> (395)
C10H12N2O

>  <Compd ID> (395)
BB-04-193

>  <Brand> (395)
DDP

>  <Mol_Weight> (395)
176.215

>  <Exact_Mass> (395)
176.095

>  <Chemical_Name> (395)
(2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methanol

$$$$

csCF1200/ 02271116062D

 27 29  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2518  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8263  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7716  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0        0
 22 23  1  0        0
 22 24  1  0        0
 22 25  1  0        0
 26 27  2  0        0
 21 26  1  0        0
  1 20  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  2  0        0
  7 10  1  0        0
  8 11  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 14  1  0        0
 12 20  1  0        0
 17 26  1  0        0
M  END
>  <Formula> (396)
C21H31N3O3

>  <Compd ID> (396)
BB-04-194

>  <Brand> (396)
DDP

>  <Mol_Weight> (396)
373.489

>  <Exact_Mass> (396)
373.237

>  <Chemical_Name> (396)
tert-butyl 4-(((2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -21.6238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2518  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3567  -19.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.8263  -23.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7716  -20.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  2  0        0
  4  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  2  0        0
  7 10  1  0        0
  8 11  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 12 16  1  0        0
 14 17  2  0        0
M  END
>  <Formula> (397)
C12H14N2O3

>  <Compd ID> (397)
BB-04-195

>  <Brand> (397)
DDP

>  <Mol_Weight> (397)
234.251

>  <Exact_Mass> (397)
234.1

>  <Chemical_Name> (397)
2-((2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -17.3456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 11 12  1  0        0
M  END
>  <Formula> (398)
C10H9NO

>  <Compd ID> (398)
BB-04-201

>  <Brand> (398)
DDP

>  <CAS #> (398)
16032-35-2

>  <Mol_Weight> (398)
159.185

>  <Exact_Mass> (398)
159.068

>  <Chemical_Name> (398)
quinolin-8-ylmethanol

$$$$

csCF1200/ 02271116062D

 26 28  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0        0
 21 22  1  0        0
 21 23  1  0        0
 21 24  1  0        0
 25 26  2  0        0
 20 25  1  0        0
  1 19  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 11 19  1  0        0
 16 25  1  0        0
M  END
>  <Formula> (399)
C21H28N2O3

>  <Compd ID> (399)
BB-04-202

>  <Brand> (399)
DDP

>  <Mol_Weight> (399)
356.459

>  <Exact_Mass> (399)
356.21

>  <Chemical_Name> (399)
tert-butyl 4-((quinolin-8-ylmethoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
 13 16  2  0        0
M  END
>  <Formula> (400)
C12H11NO3

>  <Compd ID> (400)
BB-04-203

>  <Brand> (400)
DDP

>  <Mol_Weight> (400)
217.221

>  <Exact_Mass> (400)
217.074

>  <Chemical_Name> (400)
2-(quinolin-8-ylmethoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 13 14  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3056  -19.6286    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  7 11  1  0        0
 12 13  1  0        0
M  END
>  <Formula> (401)
C10H8BrNO

>  <Compd ID> (401)
BB-04-209

>  <Brand> (401)
DDP

>  <CAS #> (401)
1190315-99-1

>  <Mol_Weight> (401)
238.081

>  <Exact_Mass> (401)
236.979

>  <Chemical_Name> (401)
(8-bromoquinolin-4-yl)methanol

$$$$

csCF1200/ 02271116062D

 27 29  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5433  -19.6286    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0        0
 22 23  1  0        0
 22 24  1  0        0
 22 25  1  0        0
 26 27  2  0        0
 21 26  1  0        0
  1 20  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  7 11  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 14  1  0        0
 12 20  1  0        0
 17 26  1  0        0
M  END
>  <Formula> (402)
C21H27BrN2O3

>  <Compd ID> (402)
BB-04-210

>  <Brand> (402)
DDP

>  <Mol_Weight> (402)
435.355

>  <Exact_Mass> (402)
434.121

>  <Chemical_Name> (402)
tert-butyl 4-(((8-bromoquinolin-4-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -16.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -17.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5433  -19.6286    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  5  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  6  1  0        0
  7 11  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 12 16  1  0        0
 14 17  2  0        0
M  END
>  <Formula> (403)
C12H10BrNO3

>  <Compd ID> (403)
BB-04-211

>  <Brand> (403)
DDP

>  <Mol_Weight> (403)
296.117

>  <Exact_Mass> (403)
294.984

>  <Chemical_Name> (403)
2-((8-bromoquinolin-4-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 11 12  1  0        0
M  END
>  <Formula> (404)
C9H8N2O

>  <Compd ID> (404)
BB-04-217

>  <Brand> (404)
DDP

>  <Mol_Weight> (404)
160.173

>  <Exact_Mass> (404)
160.064

>  <Chemical_Name> (404)
(1,8-naphthyridin-2-yl)methanol

$$$$

csCF1200/ 02271116062D

 26 28  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0        0
 21 22  1  0        0
 21 23  1  0        0
 21 24  1  0        0
 25 26  2  0        0
 20 25  1  0        0
  1 19  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 11 19  1  0        0
 16 25  1  0        0
M  END
>  <Formula> (405)
C20H27N3O3

>  <Compd ID> (405)
BB-04-218

>  <Brand> (405)
DDP

>  <Mol_Weight> (405)
357.447

>  <Exact_Mass> (405)
357.205

>  <Chemical_Name> (405)
tert-butyl 4-(((1,8-naphthyridin-2-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
 13 16  2  0        0
M  END
>  <Formula> (406)
C11H10N2O3

>  <Compd ID> (406)
BB-04-219

>  <Brand> (406)
DDP

>  <Mol_Weight> (406)
218.209

>  <Exact_Mass> (406)
218.069

>  <Chemical_Name> (406)
2-((1,8-naphthyridin-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3946  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0757  -24.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3946  -25.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0757  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -25.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  1 11  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 11 12  1  0        0
  7 18  1  0        0
M  END
>  <Formula> (407)
C14H20N2O3

>  <Compd ID> (407)
BB-04-225

>  <Brand> (407)
DDP

>  <Mol_Weight> (407)
264.32

>  <Exact_Mass> (407)
264.147

>  <Chemical_Name> (407)
tert-butyl 7-(hydroxymethyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate

$$$$

csCF1200/ 02271116062D

 36 39  0  0  0  0  0  0  0  0999 V2000
   29.2166  -19.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2166  -20.5540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.5356  -21.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8545  -20.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8545  -19.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5356  -18.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5356  -22.8385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.8545  -23.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1735  -22.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1735  -21.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5787  -19.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2625  -18.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9463  -19.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6274  -18.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3084  -19.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3084  -20.5540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6274  -21.3155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9463  -20.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8976  -18.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4001  -26.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9321  -25.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5387  -24.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6134  -23.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0814  -23.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4747  -25.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1560  -22.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7627  -21.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8373  -20.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4440  -18.6918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8976  -22.8385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5787  -23.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2597  -24.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5787  -25.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2597  -22.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2166  -23.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2166  -25.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  2  0        0
 21 22  1  0        0
 22 23  2  0        0
 23 24  1  0        0
 24 25  2  0        0
 20 25  1  0        0
 24 26  1  0        0
 26 27  1  0        0
 27 28  1  0        0
 28 29  2  0        0
 30 31  1  0        0
 31 32  1  0        0
 31 33  1  0        0
 31 34  1  0        0
 35 36  2  0        0
 30 35  1  0        0
  1 19  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 11 19  1  0        0
 16 28  1  0        0
  7 35  1  0        0
M  END
>  <Formula> (408)
C28H37N3O5

>  <Compd ID> (408)
BB-04-226

>  <Brand> (408)
DDP

>  <Mol_Weight> (408)
495.61

>  <Exact_Mass> (408)
495.273

>  <Chemical_Name> (408)
tert-butyl 7-(((1-((benzyloxy)carbonyl)piperidin-4-yl)methoxy)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate

$$$$

csCF1200/ 02271116062D

 23 24  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -24.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -25.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3134  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -25.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  1  0        0
 18 19  1  0        0
 18 20  1  0        0
 18 21  1  0        0
 22 23  2  0        0
 17 22  1  0        0
  1 15  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
 13 16  2  0        0
  7 22  1  0        0
M  END
>  <Formula> (409)
C16H22N2O5

>  <Compd ID> (409)
BB-04-227

>  <Brand> (409)
DDP

>  <Mol_Weight> (409)
322.356

>  <Exact_Mass> (409)
322.153

>  <Chemical_Name> (409)
2-((8-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 12 13  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 11 12  1  0        0
M  END
>  <Formula> (410)
C9H8N2O

>  <Compd ID> (410)
BB-04-233

>  <Brand> (410)
DDP

>  <Mol_Weight> (410)
160.173

>  <Exact_Mass> (410)
160.064

>  <Chemical_Name> (410)
quinoxalin-2-ylmethanol

$$$$

csCF1200/ 02271116062D

 26 28  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0        0
 21 22  1  0        0
 21 23  1  0        0
 21 24  1  0        0
 25 26  2  0        0
 20 25  1  0        0
  1 19  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 11 19  1  0        0
 16 25  1  0        0
M  END
>  <Formula> (411)
C20H27N3O3

>  <Compd ID> (411)
BB-04-234

>  <Brand> (411)
DDP

>  <Mol_Weight> (411)
357.447

>  <Exact_Mass> (411)
357.205

>  <Chemical_Name> (411)
tert-butyl 4-((quinoxalin-2-ylmethoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 16 17  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  3  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  4  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 11 15  1  0        0
 13 16  2  0        0
M  END
>  <Formula> (412)
C11H10N2O3

>  <Compd ID> (412)
BB-04-235

>  <Brand> (412)
DDP

>  <Mol_Weight> (412)
218.209

>  <Exact_Mass> (412)
218.069

>  <Chemical_Name> (412)
2-(quinoxalin-2-ylmethoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3083  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3083  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9435  -21.1548    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 11 13  1  0        0
 14 15  1  0        0
M  END
>  <Formula> (413)
C13H11BrO

>  <Compd ID> (413)
BB-04-241

>  <Brand> (413)
DDP

>  <Mol_Weight> (413)
263.13

>  <Exact_Mass> (413)
261.999

>  <Chemical_Name> (413)
(3'-bromo-[1,1'-biphenyl]-4-yl)methanol

$$$$

csCF1200/ 02271116062D

 29 31  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1812  -21.1548    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0        0
 24 25  1  0        0
 24 26  1  0        0
 24 27  1  0        0
 28 29  2  0        0
 23 28  1  0        0
  1 22  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 11 13  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 16  1  0        0
 14 22  1  0        0
 19 28  1  0        0
M  END
>  <Formula> (414)
C24H30BrNO3

>  <Compd ID> (414)
BB-04-242

>  <Brand> (414)
DDP

>  <Mol_Weight> (414)
460.404

>  <Exact_Mass> (414)
459.141

>  <Chemical_Name> (414)
tert-butyl 4-(((3'-bromo-[1,1'-biphenyl]-4-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1812  -21.1548    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 11 13  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 14 18  1  0        0
 16 19  2  0        0
M  END
>  <Formula> (415)
C15H13BrO3

>  <Compd ID> (415)
BB-04-243

>  <Brand> (415)
DDP

>  <Mol_Weight> (415)
321.166

>  <Exact_Mass> (415)
320.005

>  <Chemical_Name> (415)
2-((3'-bromo-[1,1'-biphenyl]-4-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.3083  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3083  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 13 14  1  0        0
M  END
>  <Formula> (416)
C12H11NO

>  <Compd ID> (416)
BB-04-249

>  <Brand> (416)
DDP

>  <CAS #> (416)
98061-39-3

>  <Mol_Weight> (416)
185.222

>  <Exact_Mass> (416)
185.084

>  <Chemical_Name> (416)
(4-(pyridin-2-yl)phenyl)methanol

$$$$

csCF1200/ 02271116062D

 28 30  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0        0
 23 24  1  0        0
 23 25  1  0        0
 23 26  1  0        0
 27 28  2  0        0
 22 27  1  0        0
  1 21  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 15  1  0        0
 13 21  1  0        0
 18 27  1  0        0
M  END
>  <Formula> (417)
C23H30N2O3

>  <Compd ID> (417)
BB-04-250

>  <Brand> (417)
DDP

>  <Mol_Weight> (417)
382.496

>  <Exact_Mass> (417)
382.226

>  <Chemical_Name> (417)
tert-butyl 4-(((4-(pyridin-2-yl)benzyl)oxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 13 17  1  0        0
 15 18  2  0        0
M  END
>  <Formula> (418)
C14H13NO3

>  <Compd ID> (418)
BB-04-251

>  <Brand> (418)
DDP

>  <Mol_Weight> (418)
243.258

>  <Exact_Mass> (418)
243.09

>  <Chemical_Name> (418)
2-((4-(pyridin-2-yl)benzyl)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   30.0325  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6704  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3515  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9894  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3083  -24.1992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6273  -21.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.3083  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7136  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3974  -19.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 13 14  1  0        0
M  END
>  <Formula> (419)
C11H10N2O

>  <Compd ID> (419)
BB-04-257

>  <Brand> (419)
DDP

>  <CAS #> (419)
198084-13-8

>  <Mol_Weight> (419)
186.21

>  <Exact_Mass> (419)
186.079

>  <Chemical_Name> (419)
(4-(pyrimidin-5-yl)phenyl)methanol

$$$$

csCF1200/ 02271116062D

 28 30  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3621  -21.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7242  -21.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -22.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4052  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0432  -23.4377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0        0
 23 24  1  0        0
 23 25  1  0        0
 23 26  1  0        0
 27 28  2  0        0
 22 27  1  0        0
  1 21  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 15  1  0        0
 13 21  1  0        0
 18 27  1  0        0
M  END
>  <Formula> (420)
C22H29N3O3

>  <Compd ID> (420)
BB-04-258

>  <Brand> (420)
DDP

>  <Mol_Weight> (420)
383.484

>  <Exact_Mass> (420)
383.221

>  <Chemical_Name> (420)
tert-butyl 4-(((4-(pyrimidin-5-yl)benzyl)oxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.2703  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2703  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9082  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5892  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -21.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2271  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -24.1992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -23.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8651  -21.9147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.5461  -21.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6324  -19.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3162  -18.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -19.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6811  -18.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9513  -18.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0000  -21.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  1  2  0        0
  7  4  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 13 17  1  0        0
 15 18  2  0        0
M  END
>  <Formula> (421)
C13H12N2O3

>  <Compd ID> (421)
BB-04-259

>  <Brand> (421)
DDP

>  <Mol_Weight> (421)
244.246

>  <Exact_Mass> (421)
244.085

>  <Chemical_Name> (421)
2-((4-(pyrimidin-5-yl)benzyl)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.6855  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9240  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6855  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9700  -20.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4343  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.2751  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6664  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9589  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6428  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -22.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7775  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3005  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -23.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4930  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -19.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0        0
 13 14  1  0        0
 13 15  1  0        0
 13 16  1  0        0
 17 18  2  0        0
 12 17  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  5 17  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (422)
C13H19NO3S

>  <Compd ID> (422)
BB-04-265

>  <Brand> (422)
DDP

>  <Mol_Weight> (422)
269.36

>  <Exact_Mass> (422)
269.109

>  <Chemical_Name> (422)
tert-butyl 2-(hydroxymethyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 35 38  0  0  0  0  0  0  0  0999 V2000
   30.6855  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9240  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6855  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9700  -20.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4343  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.2751  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6664  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9589  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6428  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3266  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0104  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6915  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3725  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3725  -20.3729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.6915  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0104  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -22.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7775  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3005  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -23.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4930  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -19.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7777  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4588  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4588  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7777  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0967  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0967  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4156  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7346  -20.3729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0536  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0536  -22.6574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
 26 27  2  0        0
 27 28  1  0        0
 28 29  2  0        0
 29 30  1  0        0
 30 31  2  0        0
 26 31  1  0        0
 30 32  1  0        0
 32 33  1  0        0
 33 34  1  0        0
 34 35  2  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  5 24  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 16 34  1  0        0
M  END
>  <Formula> (423)
C27H36N2O5S

>  <Compd ID> (423)
BB-04-266

>  <Brand> (423)
DDP

>  <Mol_Weight> (423)
500.65

>  <Exact_Mass> (423)
500.234

>  <Chemical_Name> (423)
tert-butyl 2-(((1-((benzyloxy)carbonyl)piperidin-4-yl)methoxy)methyl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   30.6855  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9240  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6855  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9700  -20.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2085  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4343  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.2751  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6665  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9590  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6428  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3238  -18.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0077  -18.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6915  -18.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0077  -20.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -22.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.7775  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3005  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5390  -23.3191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4930  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2545  -19.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  5 21  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (424)
C15H21NO5S

>  <Compd ID> (424)
BB-04-267

>  <Brand> (424)
DDP

>  <Mol_Weight> (424)
327.396

>  <Exact_Mass> (424)
327.114

>  <Chemical_Name> (424)
2-((5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   31.9806  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2191  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9806  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2651  -20.6811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7294  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.5702  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9615  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9379  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (425)
C8H10O2S

>  <Compd ID> (425)
BB-04-273

>  <Brand> (425)
DDP

>  <Mol_Weight> (425)
170.229

>  <Exact_Mass> (425)
170.04

>  <Chemical_Name> (425)
(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   31.9806  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2191  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9806  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2651  -20.6811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7294  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.5702  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9615  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9379  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6217  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3055  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9866  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6676  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6676  -20.3729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.9866  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3055  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0297  -20.3729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7107  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3918  -21.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7107  -22.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3918  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3486  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3486  -22.6574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 16 24  1  0        0
M  END
>  <Formula> (426)
C19H29NO4S

>  <Compd ID> (426)
BB-04-274

>  <Brand> (426)
DDP

>  <Mol_Weight> (426)
367.503

>  <Exact_Mass> (426)
367.182

>  <Chemical_Name> (426)
tert-butyl 4-(((6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   31.9806  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2191  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9806  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2651  -20.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5036  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7294  -20.3645    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.5702  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9615  -18.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2540  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9379  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6217  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3055  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9894  -18.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3055  -20.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9  3  1  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (427)
C10H12O4S

>  <Compd ID> (427)
BB-04-275

>  <Brand> (427)
DDP

>  <Mol_Weight> (427)
228.265

>  <Exact_Mass> (427)
228.046

>  <Chemical_Name> (427)
2-((6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   32.0024  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2409  -20.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0024  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2869  -20.6811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7512  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5920  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9834  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9597  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  3  2  0        0
  8 10  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (428)
C7H10N2OS

>  <Compd ID> (428)
BB-04-281

>  <Brand> (428)
DDP

>  <Mol_Weight> (428)
170.232

>  <Exact_Mass> (428)
170.051

>  <Chemical_Name> (428)
(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-2-yl)methanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   32.0024  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2409  -20.6811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0024  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2869  -20.6811    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7512  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5920  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9834  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9597  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6435  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3273  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0084  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6894  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6894  -20.3729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0084  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3273  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0515  -20.3729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7326  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4136  -21.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7326  -22.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4136  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3705  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3705  -22.6574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  3  2  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 16 24  1  0        0
M  END
>  <Formula> (429)
C18H29N3O3S

>  <Compd ID> (429)
BB-04-282

>  <Brand> (429)
DDP

>  <Mol_Weight> (429)
367.506

>  <Exact_Mass> (429)
367.193

>  <Chemical_Name> (429)
tert-butyl 4-(((6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-2-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   32.0025  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2410  -20.6812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0025  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2869  -20.6812    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   33.5254  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7512  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5920  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9834  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2759  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9597  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6435  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3273  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0112  -18.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3273  -20.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  1  1  0        0
  2  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  3  2  0        0
  8 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (430)
C9H12N2O3S

>  <Compd ID> (430)
BB-04-283

>  <Brand> (430)
DDP

>  <Mol_Weight> (430)
228.268

>  <Exact_Mass> (430)
228.057

>  <Chemical_Name> (430)
2-((6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   31.2397  -19.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4782  -18.0182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2206  -20.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8292  -19.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9884  -18.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2397  -16.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7627  -16.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5242  -18.0182    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.7627  -19.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6695  -17.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3505  -18.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
  5 10  1  0        0
 10 11  1  0        0
M  END
>  <Formula> (431)
C7H10N2OS

>  <Compd ID> (431)
BB-04-289

>  <Brand> (431)
DDP

>  <Mol_Weight> (431)
170.232

>  <Exact_Mass> (431)
170.051

>  <Chemical_Name> (431)
(6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)methanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   35.7619  -20.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0004  -19.0807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.7428  -21.5315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.3515  -20.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5107  -19.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7619  -17.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2849  -17.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0464  -19.0807    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   37.2849  -20.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1917  -18.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8728  -19.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5538  -18.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2349  -19.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9159  -18.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5970  -19.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5970  -20.9204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.9159  -21.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2349  -20.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9590  -20.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6401  -21.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3211  -22.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6401  -23.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3211  -20.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2780  -21.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2780  -23.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
  5 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 16 24  1  0        0
M  END
>  <Formula> (432)
C18H29N3O3S

>  <Compd ID> (432)
BB-04-290

>  <Brand> (432)
DDP

>  <Mol_Weight> (432)
367.506

>  <Exact_Mass> (432)
367.193

>  <Chemical_Name> (432)
tert-butyl 4-(((6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   34.2040  -20.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4425  -19.1611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.1849  -21.6118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7936  -20.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9528  -19.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2040  -17.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7270  -17.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4885  -19.1611    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   35.7270  -20.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6338  -18.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3149  -19.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9959  -18.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6770  -19.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3580  -18.7162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6770  -20.9975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  2  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  1  1  0        0
  5 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (433)
C9H12N2O3S

>  <Compd ID> (433)
BB-04-291

>  <Brand> (433)
DDP

>  <Mol_Weight> (433)
228.268

>  <Exact_Mass> (433)
228.057

>  <Chemical_Name> (433)
2-((6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazin-3-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
M  END
>  <Formula> (434)
C8H12N2O

>  <Compd ID> (434)
BB-04-297

>  <Brand> (434)
DDP

>  <Mol_Weight> (434)
152.194

>  <Exact_Mass> (434)
152.095

>  <Chemical_Name> (434)
(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.6811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -18.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -20.3729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1673  -20.3729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8483  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5294  -21.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8483  -22.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5294  -20.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4862  -21.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4862  -22.6574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 16 24  1  0        0
M  END
>  <Formula> (435)
C19H31N3O3

>  <Compd ID> (435)
BB-04-298

>  <Brand> (435)
DDP

>  <Mol_Weight> (435)
349.468

>  <Exact_Mass> (435)
349.237

>  <Chemical_Name> (435)
tert-butyl 4-(((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.3622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.2304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -22.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.8499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -18.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1269  -18.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -20.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (436)
C10H14N2O3

>  <Compd ID> (436)
BB-04-299

>  <Brand> (436)
DDP

>  <Mol_Weight> (436)
210.23

>  <Exact_Mass> (436)
210.1

>  <Chemical_Name> (436)
2-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
M  END
>  <Formula> (437)
C7H10N2O2

>  <Compd ID> (437)
BB-04-305

>  <Brand> (437)
DDP

>  <Mol_Weight> (437)
154.167

>  <Exact_Mass> (437)
154.074

>  <Chemical_Name> (437)
(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -17.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -20.2297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -20.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -20.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1673  -20.2297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8483  -20.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5294  -21.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8483  -22.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5294  -20.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4862  -20.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4862  -22.5142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 16 24  1  0        0
M  END
>  <Formula> (438)
C18H29N3O4

>  <Compd ID> (438)
BB-04-306

>  <Brand> (438)
DDP

>  <Mol_Weight> (438)
351.441

>  <Exact_Mass> (438)
351.216

>  <Chemical_Name> (438)
tert-butyl 4-(((6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1269  -17.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -20.2265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (439)
C9H12N2O4

>  <Compd ID> (439)
BB-04-307

>  <Brand> (439)
DDP

>  <Mol_Weight> (439)
212.203

>  <Exact_Mass> (439)
212.08

>  <Chemical_Name> (439)
2-((6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
M  END
>  <Formula> (440)
C7H10N2OS

>  <Compd ID> (440)
BB-04-313

>  <Brand> (440)
DDP

>  <Mol_Weight> (440)
170.232

>  <Exact_Mass> (440)
170.051

>  <Chemical_Name> (440)
(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-yl)methanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -17.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8052  -20.2297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1241  -20.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -20.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1673  -20.2297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8483  -20.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5294  -21.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8483  -22.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5294  -20.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4862  -20.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4862  -22.5142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 16 24  1  0        0
M  END
>  <Formula> (441)
C18H29N3O3S

>  <Compd ID> (441)
BB-04-314

>  <Brand> (441)
DDP

>  <Mol_Weight> (441)
367.506

>  <Exact_Mass> (441)
367.193

>  <Chemical_Name> (441)
tert-butyl 4-(((6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   31.3567  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -19.2190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8670  -20.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7078  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0991  -18.0872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.3916  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -19.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4027  -20.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6412  -21.8570    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   32.1182  -21.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0754  -18.7067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7593  -17.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -18.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1269  -17.9468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4431  -20.2265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (442)
C9H12N2O3S

>  <Compd ID> (442)
BB-04-315

>  <Brand> (442)
DDP

>  <Mol_Weight> (442)
228.268

>  <Exact_Mass> (442)
228.057

>  <Chemical_Name> (442)
2-((6,7-dihydro-4H-pyrazolo[5,1-c][1,4]thiazin-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   30.7031  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -18.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2134  -19.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0542  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4455  -17.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -18.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -21.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -21.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4218  -18.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7031  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -25.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -23.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -22.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2721  -22.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 12 17  1  0        0
 16 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  9 20  1  0        0
  6 11  1  0        0
M  END
>  <Formula> (443)
C15H17N3O3

>  <Compd ID> (443)
BB-04-321

>  <Brand> (443)
DDP

>  <Mol_Weight> (443)
287.314

>  <Exact_Mass> (443)
287.127

>  <Chemical_Name> (443)
benzyl 2-(hydroxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 35 38  0  0  0  0  0  0  0  0999 V2000
   30.7031  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -18.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2134  -19.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0542  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4455  -17.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -18.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -21.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -21.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4218  -18.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1057  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7895  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4705  -17.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1516  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1516  -19.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4705  -20.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7895  -19.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7031  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -25.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -23.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -22.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2721  -22.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5137  -19.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1947  -20.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8757  -21.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1947  -21.8561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8757  -19.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8326  -20.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8326  -21.8561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 23  1  0        0
 23 24  2  0        0
 19 24  1  0        0
 23 25  1  0        0
 25 26  1  0        0
 26 27  1  0        0
 27 28  2  0        0
 29 30  1  0        0
 30 31  1  0        0
 30 32  1  0        0
 30 33  1  0        0
 34 35  2  0        0
 29 34  1  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  9 27  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 16 34  1  0        0
M  END
>  <Formula> (444)
C26H36N4O5

>  <Compd ID> (444)
BB-04-322

>  <Brand> (444)
DDP

>  <Mol_Weight> (444)
484.588

>  <Exact_Mass> (444)
484.269

>  <Chemical_Name> (444)
benzyl 2-(((1-(tert-butoxycarbonyl)piperidin-4-yl)methoxy)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   30.7031  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -18.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2134  -19.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0542  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4455  -17.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7380  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -18.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -19.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -21.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -21.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4218  -18.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1057  -17.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7895  -18.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4733  -17.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7895  -19.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7031  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -29.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -27.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4646  -26.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -25.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9876  -23.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7491  -22.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2721  -22.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 16 21  1  0        0
 20 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 25  2  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  9 24  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (445)
C17H19N3O5

>  <Compd ID> (445)
BB-04-323

>  <Brand> (445)
DDP

>  <Mol_Weight> (445)
345.35

>  <Exact_Mass> (445)
345.132

>  <Chemical_Name> (445)
2-((5-((benzyloxy)carbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 12  0  0  0  0  0  0  0  0999 V2000
   31.8437  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -19.1478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3539  -20.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1947  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5861  -18.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1281  -19.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8897  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1281  -21.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -21.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5624  -18.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
M  END
>  <Formula> (446)
C7H10N2O2

>  <Compd ID> (446)
BB-04-329

>  <Brand> (446)
DDP

>  <Mol_Weight> (446)
154.167

>  <Exact_Mass> (446)
154.074

>  <Chemical_Name> (446)
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   31.8437  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -19.1478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3539  -20.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1947  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5861  -18.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1281  -19.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8897  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1281  -21.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -21.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5624  -18.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2462  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9301  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6111  -17.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2921  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2921  -20.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.6111  -20.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9301  -20.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6542  -20.1585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3353  -20.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163  -21.6815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3353  -22.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163  -20.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9732  -20.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9732  -22.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
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 19 24  1  0        0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
 16 24  1  0        0
M  END
>  <Formula> (447)
C18H29N3O4

>  <Compd ID> (447)
BB-04-330

>  <Brand> (447)
DDP

>  <Mol_Weight> (447)
351.441

>  <Exact_Mass> (447)
351.216

>  <Chemical_Name> (447)
tert-butyl 4-(((6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   31.8437  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -19.1478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3539  -20.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1947  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5861  -18.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.8786  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1282  -19.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8897  -20.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1282  -21.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6052  -21.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5624  -18.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2462  -17.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9301  -18.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6139  -17.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.9301  -20.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  1  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  2  1  0        0
  4  6  1  0        0
  2  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  1  1  0        0
  6 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (448)
C9H12N2O4

>  <Compd ID> (448)
BB-04-331

>  <Brand> (448)
DDP

>  <Mol_Weight> (448)
212.203

>  <Exact_Mass> (448)
212.08

>  <Chemical_Name> (448)
2-((6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   34.7181  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1951  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7245  -22.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9566  -23.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1887  -22.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.6114  -19.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1261  -19.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0213  -18.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4018  -17.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8871  -16.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9920  -18.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2951  -15.8835    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   31.8761  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5600  -20.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  2 13  1  0        0
 13 14  1  0        0
M  END
>  <Formula> (449)
C10H9FN2O

>  <Compd ID> (449)
BB-04-337

>  <Brand> (449)
DDP

>  <Mol_Weight> (449)
192.19

>  <Exact_Mass> (449)
192.07

>  <Chemical_Name> (449)
(3-(4-fluorophenyl)-1H-pyrazol-4-yl)methanol

$$$$

csCF1200/ 02271116062D

 28 30  0  0  0  0  0  0  0  0999 V2000
   34.7181  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1951  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7245  -22.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9566  -23.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1887  -22.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.6114  -19.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1261  -19.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0213  -18.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4018  -17.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8871  -16.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9920  -18.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2951  -15.8835    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   31.8761  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5600  -20.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2438  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9276  -20.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6087  -20.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2897  -20.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2897  -22.3282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6087  -23.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9276  -22.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6518  -22.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3329  -23.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0139  -23.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3329  -24.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0139  -22.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9708  -23.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9708  -24.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0        0
 23 24  1  0        0
 23 25  1  0        0
 23 26  1  0        0
 27 28  2  0        0
 22 27  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  2 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 16  1  0        0
 19 27  1  0        0
M  END
>  <Formula> (450)
C21H28FN3O3

>  <Compd ID> (450)
BB-04-338

>  <Brand> (450)
DDP

>  <Mol_Weight> (450)
389.464

>  <Exact_Mass> (450)
389.211

>  <Chemical_Name> (450)
tert-butyl 4-(((3-(4-fluorophenyl)-1H-pyrazol-4-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   34.7181  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1951  -20.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7245  -22.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9566  -23.1505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1887  -22.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.6114  -19.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1261  -19.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0213  -18.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4018  -17.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8872  -16.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9920  -18.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2951  -15.8835    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   31.8762  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5600  -20.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2438  -20.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9276  -20.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6115  -20.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.9276  -22.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  2 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 16 18  2  0        0
M  END
>  <Formula> (451)
C12H11FN2O3

>  <Compd ID> (451)
BB-04-339

>  <Brand> (451)
DDP

>  <Mol_Weight> (451)
250.226

>  <Exact_Mass> (451)
250.075

>  <Chemical_Name> (451)
2-((3-(4-fluorophenyl)-1H-pyrazol-4-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   32.0562  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5332  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0626  -24.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2947  -23.9554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.5269  -24.8506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9495  -27.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4642  -27.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3594  -28.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7399  -29.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2253  -30.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3301  -28.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6332  -31.2224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.7436  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4275  -24.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
M  END
>  <Formula> (452)
C10H9FN2O

>  <Compd ID> (452)
BB-04-345

>  <Brand> (452)
DDP

>  <Mol_Weight> (452)
192.19

>  <Exact_Mass> (452)
192.07

>  <Chemical_Name> (452)
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)methanol

$$$$

csCF1200/ 02271116062D

 28 30  0  0  0  0  0  0  0  0999 V2000
   32.0562  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5332  -26.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0626  -24.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2947  -23.9554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.5269  -24.8506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9495  -27.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4642  -27.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3594  -28.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7399  -29.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2253  -30.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3301  -28.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6332  -31.2224    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.7436  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4275  -24.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1113  -24.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7951  -24.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4762  -24.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1572  -24.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1572  -26.3720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4762  -27.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7951  -26.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5193  -26.3720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2003  -27.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8814  -27.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2003  -28.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8814  -26.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8382  -27.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8382  -28.6565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0        0
 23 24  1  0        0
 23 25  1  0        0
 23 26  1  0        0
 27 28  2  0        0
 22 27  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 16  1  0        0
 19 27  1  0        0
M  END
>  <Formula> (453)
C21H28FN3O3

>  <Compd ID> (453)
BB-04-346

>  <Brand> (453)
DDP

>  <Mol_Weight> (453)
389.464

>  <Exact_Mass> (453)
389.211

>  <Chemical_Name> (453)
tert-butyl 4-(((3-(4-fluorophenyl)-1H-pyrazol-5-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   33.4475  -19.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9245  -19.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4538  -18.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6860  -17.5898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.9181  -18.4850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.3408  -21.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8554  -21.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7506  -22.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1312  -23.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6165  -23.7864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7213  -22.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0245  -24.8568    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   30.1349  -17.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8187  -18.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5025  -17.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1864  -18.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8702  -17.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1864  -20.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  1  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 16 18  2  0        0
M  END
>  <Formula> (454)
C12H11FN2O3

>  <Compd ID> (454)
BB-04-347

>  <Brand> (454)
DDP

>  <Mol_Weight> (454)
250.226

>  <Exact_Mass> (454)
250.075

>  <Chemical_Name> (454)
2-((3-(4-fluorophenyl)-1H-pyrazol-5-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 15 16  0  0  0  0  0  0  0  0999 V2000
   29.8154  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8154  -20.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -18.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -21.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4046  -18.2890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   25.8641  -21.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  3  7  1  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 11 14  1  0        0
  7 15  1  0        0
M  END
>  <Formula> (455)
C12H10FNO

>  <Compd ID> (455)
BB-04-353

>  <Brand> (455)
DDP

>  <Mol_Weight> (455)
203.212

>  <Exact_Mass> (455)
203.075

>  <Chemical_Name> (455)
(6-(4-fluorophenyl)pyridin-2-yl)methanol

$$$$

csCF1200/ 02271116062D

 29 31  0  0  0  0  0  0  0  0999 V2000
   29.8154  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8154  -20.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -18.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -21.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4046  -18.2890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   25.8641  -21.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5479  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2317  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9128  -20.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5938  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5938  -22.8547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9128  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2317  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9559  -22.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6369  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3180  -24.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6369  -25.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3180  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2749  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2749  -25.1393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0        0
 24 25  1  0        0
 24 26  1  0        0
 24 27  1  0        0
 28 29  2  0        0
 23 28  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  3  7  1  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 11 14  1  0        0
  7 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 17  1  0        0
 20 28  1  0        0
M  END
>  <Formula> (456)
C23H29FN2O3

>  <Compd ID> (456)
BB-04-354

>  <Brand> (456)
DDP

>  <Mol_Weight> (456)
400.486

>  <Exact_Mass> (456)
400.216

>  <Chemical_Name> (456)
tert-butyl 4-(((6-(4-fluorophenyl)pyridin-2-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   29.8154  -23.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4964  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8154  -20.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1343  -22.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1803  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4505  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -18.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -19.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0884  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7695  -21.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4046  -18.2890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   25.8641  -21.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5479  -20.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2317  -21.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9156  -20.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2317  -22.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  3  7  1  0        0
  5  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 11 14  1  0        0
  7 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 17 19  2  0        0
M  END
>  <Formula> (457)
C14H12FNO3

>  <Compd ID> (457)
BB-04-355

>  <Brand> (457)
DDP

>  <Mol_Weight> (457)
261.248

>  <Exact_Mass> (457)
261.08

>  <Chemical_Name> (457)
2-((6-(4-fluorophenyl)pyridin-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 14 15  0  0  0  0  0  0  0  0999 V2000
   29.8958  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3728  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9022  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1343  -19.4589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.3664  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8118  -19.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1285  -18.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5769  -17.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7088  -18.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3921  -20.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9436  -20.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1542  -18.4735    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2670  -20.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
M  END
>  <Formula> (458)
C11H9FOS

>  <Compd ID> (458)
BB-04-361

>  <Brand> (458)
DDP

>  <Mol_Weight> (458)
208.252

>  <Exact_Mass> (458)
208.036

>  <Chemical_Name> (458)
(5-(4-fluorophenyl)thiophen-2-yl)methanol

$$$$

csCF1200/ 02271116062D

 28 30  0  0  0  0  0  0  0  0999 V2000
   29.8958  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3728  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9022  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1343  -19.4589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.3664  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8118  -19.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1285  -18.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5769  -17.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7088  -18.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3921  -20.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9436  -20.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1542  -18.4735    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2670  -20.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9509  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6347  -20.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3157  -19.5910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9968  -20.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9968  -21.8755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3157  -22.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6347  -21.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3589  -21.8755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0399  -22.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7210  -23.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0399  -24.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7210  -21.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6778  -22.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6778  -24.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0        0
 23 24  1  0        0
 23 25  1  0        0
 23 26  1  0        0
 27 28  2  0        0
 22 27  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 16  1  0        0
 19 27  1  0        0
M  END
>  <Formula> (459)
C22H28FNO3S

>  <Compd ID> (459)
BB-04-362

>  <Brand> (459)
DDP

>  <Mol_Weight> (459)
405.526

>  <Exact_Mass> (459)
405.177

>  <Chemical_Name> (459)
tert-butyl 4-(((5-(4-fluorophenyl)thiophen-2-yl)methoxy)methyl)piperidine-1-carboxylate

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   29.8958  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3728  -21.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9022  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1343  -19.4589    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   30.3664  -20.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8118  -19.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1285  -18.3947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5769  -17.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7088  -18.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3921  -20.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9436  -20.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1542  -18.4735    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   26.5832  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2670  -20.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9509  -19.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6347  -20.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3185  -19.5926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6347  -21.8723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  1  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
  3 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 16 18  2  0        0
M  END
>  <Formula> (460)
C13H11FO3S

>  <Compd ID> (460)
BB-04-363

>  <Brand> (460)
DDP

>  <Mol_Weight> (460)
266.288

>  <Exact_Mass> (460)
266.041

>  <Chemical_Name> (460)
2-((5-(4-fluorophenyl)thiophen-2-yl)methoxy)acetic acid

$$$$

csCF1200/ 02271116062D

 11 10  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  7  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
  9 11  2  0        0
M  END
>  <Formula> (461)
C6H12N2O3

>  <Compd ID> (461)
BB-05-001

>  <Brand> (461)
DDP

>  <Mol_Weight> (461)
160.171

>  <Exact_Mass> (461)
160.085

>  <Chemical_Name> (461)
3-(3-ethylureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 13 13  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  7  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
  9 11  2  0        0
  8 12  1  0        0
 12 13  1  0        0
 13  8  1  0        0
M  END
>  <Formula> (462)
C8H14N2O3

>  <Compd ID> (462)
BB-05-002

>  <Brand> (462)
DDP

>  <Mol_Weight> (462)
186.208

>  <Exact_Mass> (462)
186.1

>  <Chemical_Name> (462)
1-((3-ethylureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  7  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
  9 11  2  0        0
  8 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16  8  1  0        0
M  END
>  <Formula> (463)
C11H20N2O3

>  <Compd ID> (463)
BB-05-003

>  <Brand> (463)
DDP

>  <Mol_Weight> (463)
228.288

>  <Exact_Mass> (463)
228.147

>  <Chemical_Name> (463)
1-((3-ethylureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 11 10  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  7  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
  9 11  2  0        0
M  END
>  <Formula> (464)
C5H10N2O4

>  <Compd ID> (464)
BB-05-004

>  <Brand> (464)
DDP

>  <Mol_Weight> (464)
162.144

>  <Exact_Mass> (464)
162.064

>  <Chemical_Name> (464)
2-((3-ethylureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 12 11  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  7  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
  9 11  2  0        0
  7 12  1  0        0
M  END
>  <Formula> (465)
C6H13N3O3

>  <Compd ID> (465)
BB-05-005

>  <Brand> (465)
DDP

>  <Mol_Weight> (465)
175.186

>  <Exact_Mass> (465)
175.096

>  <Chemical_Name> (465)
2-(2-(ethylcarbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 14 14  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  7  6  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  1  0        0
 11  7  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 12 14  1  0        0
M  END
>  <Formula> (466)
C8H10N2O3S

>  <Compd ID> (466)
BB-05-006

>  <Brand> (466)
DDP

>  <Mol_Weight> (466)
214.242

>  <Exact_Mass> (466)
214.041

>  <Chemical_Name> (466)
3-(3-ethylureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 14 14  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  7  6  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11  7  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 12 14  1  0        0
M  END
>  <Formula> (467)
C8H10N2O3S

>  <Compd ID> (467)
BB-05-007

>  <Brand> (467)
DDP

>  <Mol_Weight> (467)
214.242

>  <Exact_Mass> (467)
214.041

>  <Chemical_Name> (467)
2-(3-ethylureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 12 11  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (468)
C7H14N2O3

>  <Compd ID> (468)
BB-05-009

>  <Brand> (468)
DDP

>  <Mol_Weight> (468)
174.198

>  <Exact_Mass> (468)
174.1

>  <Chemical_Name> (468)
3-(3-propylureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 14 14  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  9 13  1  0        0
 13 14  1  0        0
 14  9  1  0        0
M  END
>  <Formula> (469)
C9H16N2O3

>  <Compd ID> (469)
BB-05-010

>  <Brand> (469)
DDP

>  <Mol_Weight> (469)
200.235

>  <Exact_Mass> (469)
200.116

>  <Chemical_Name> (469)
1-((3-propylureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  9 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17  9  1  0        0
M  END
>  <Formula> (470)
C12H22N2O3

>  <Compd ID> (470)
BB-05-011

>  <Brand> (470)
DDP

>  <Mol_Weight> (470)
242.315

>  <Exact_Mass> (470)
242.163

>  <Chemical_Name> (470)
1-((3-propylureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 12 11  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (471)
C6H12N2O4

>  <Compd ID> (471)
BB-05-012

>  <Brand> (471)
DDP

>  <Mol_Weight> (471)
176.17

>  <Exact_Mass> (471)
176.08

>  <Chemical_Name> (471)
2-((3-propylureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 13 12  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  8 13  1  0        0
M  END
>  <Formula> (472)
C7H15N3O3

>  <Compd ID> (472)
BB-05-013

>  <Brand> (472)
DDP

>  <Mol_Weight> (472)
189.212

>  <Exact_Mass> (472)
189.111

>  <Chemical_Name> (472)
2-(1-methyl-2-(propylcarbamoyl)hydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  8  7  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  1  0        0
 12  8  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
M  END
>  <Formula> (473)
C9H12N2O3S

>  <Compd ID> (473)
BB-05-014

>  <Brand> (473)
DDP

>  <Mol_Weight> (473)
228.268

>  <Exact_Mass> (473)
228.057

>  <Chemical_Name> (473)
3-(3-propylureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  8  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12  8  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
M  END
>  <Formula> (474)
C9H12N2O3S

>  <Compd ID> (474)
BB-05-015

>  <Brand> (474)
DDP

>  <Mol_Weight> (474)
228.268

>  <Exact_Mass> (474)
228.057

>  <Chemical_Name> (474)
2-(3-propylureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 12 11  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  3  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (475)
C7H14N2O3

>  <Compd ID> (475)
BB-05-017

>  <Brand> (475)
DDP

>  <Mol_Weight> (475)
174.198

>  <Exact_Mass> (475)
174.1

>  <Chemical_Name> (475)
3-(3-isopropylureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 14 14  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  3  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  9 13  1  0        0
 13 14  1  0        0
 14  9  1  0        0
M  END
>  <Formula> (476)
C9H16N2O3

>  <Compd ID> (476)
BB-05-018

>  <Brand> (476)
DDP

>  <Mol_Weight> (476)
200.235

>  <Exact_Mass> (476)
200.116

>  <Chemical_Name> (476)
1-((3-isopropylureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  3  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  9 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17  9  1  0        0
M  END
>  <Formula> (477)
C12H22N2O3

>  <Compd ID> (477)
BB-05-019

>  <Brand> (477)
DDP

>  <Mol_Weight> (477)
242.315

>  <Exact_Mass> (477)
242.163

>  <Chemical_Name> (477)
1-((3-isopropylureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 12 11  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  3  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (478)
C6H12N2O4

>  <Compd ID> (478)
BB-05-020

>  <Brand> (478)
DDP

>  <Mol_Weight> (478)
176.17

>  <Exact_Mass> (478)
176.08

>  <Chemical_Name> (478)
2-((3-isopropylureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 13 12  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  3  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  8 13  1  0        0
M  END
>  <Formula> (479)
C7H15N3O3

>  <Compd ID> (479)
BB-05-021

>  <Brand> (479)
DDP

>  <Mol_Weight> (479)
189.212

>  <Exact_Mass> (479)
189.111

>  <Chemical_Name> (479)
2-(2-(isopropylcarbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  3  6  1  0        0
  8  7  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  1  0        0
 12  8  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
M  END
>  <Formula> (480)
C9H12N2O3S

>  <Compd ID> (480)
BB-05-022

>  <Brand> (480)
DDP

>  <Mol_Weight> (480)
228.268

>  <Exact_Mass> (480)
228.057

>  <Chemical_Name> (480)
3-(3-isopropylureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  3  6  1  0        0
  8  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12  8  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
M  END
>  <Formula> (481)
C9H12N2O3S

>  <Compd ID> (481)
BB-05-023

>  <Brand> (481)
DDP

>  <Mol_Weight> (481)
228.268

>  <Exact_Mass> (481)
228.057

>  <Chemical_Name> (481)
2-(3-isopropylureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 13 12  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  5  4  1  0        0
  1  6  2  0        0
  4  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
M  END
>  <Formula> (482)
C8H16N2O3

>  <Compd ID> (482)
BB-05-025

>  <Brand> (482)
DDP

>  <Mol_Weight> (482)
188.224

>  <Exact_Mass> (482)
188.116

>  <Chemical_Name> (482)
3-(3-isobutylureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  5  4  1  0        0
  1  6  2  0        0
  4  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
 10 14  1  0        0
 14 15  1  0        0
 15 10  1  0        0
M  END
>  <Formula> (483)
C10H18N2O3

>  <Compd ID> (483)
BB-05-026

>  <Brand> (483)
DDP

>  <Mol_Weight> (483)
214.262

>  <Exact_Mass> (483)
214.132

>  <Chemical_Name> (483)
1-((3-isobutylureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  5  4  1  0        0
  1  6  2  0        0
  4  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
 10 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 10  1  0        0
M  END
>  <Formula> (484)
C13H24N2O3

>  <Compd ID> (484)
BB-05-027

>  <Brand> (484)
DDP

>  <Mol_Weight> (484)
256.341

>  <Exact_Mass> (484)
256.179

>  <Chemical_Name> (484)
1-((3-isobutylureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 13 12  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  5  4  1  0        0
  1  6  2  0        0
  4  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
M  END
>  <Formula> (485)
C7H14N2O4

>  <Compd ID> (485)
BB-05-028

>  <Brand> (485)
DDP

>  <Mol_Weight> (485)
190.197

>  <Exact_Mass> (485)
190.095

>  <Chemical_Name> (485)
2-((3-isobutylureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 14 13  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  5  4  1  0        0
  1  6  2  0        0
  4  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
  9 14  1  0        0
M  END
>  <Formula> (486)
C8H17N3O3

>  <Compd ID> (486)
BB-05-029

>  <Brand> (486)
DDP

>  <Mol_Weight> (486)
203.239

>  <Exact_Mass> (486)
203.127

>  <Chemical_Name> (486)
2-(2-(isobutylcarbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  5  4  1  0        0
  1  6  2  0        0
  4  7  1  0        0
  9  8  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13  9  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
M  END
>  <Formula> (487)
C10H14N2O3S

>  <Compd ID> (487)
BB-05-030

>  <Brand> (487)
DDP

>  <Mol_Weight> (487)
242.295

>  <Exact_Mass> (487)
242.073

>  <Chemical_Name> (487)
3-(3-isobutylureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  5  4  1  0        0
  1  6  2  0        0
  4  7  1  0        0
  9  8  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13  9  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
M  END
>  <Formula> (488)
C10H14N2O3S

>  <Compd ID> (488)
BB-05-031

>  <Brand> (488)
DDP

>  <Mol_Weight> (488)
242.295

>  <Exact_Mass> (488)
242.073

>  <Chemical_Name> (488)
2-(3-isobutylureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
M  END
>  <Formula> (489)
C11H20N2O3

>  <Compd ID> (489)
BB-05-033

>  <Brand> (489)
DDP

>  <Mol_Weight> (489)
228.288

>  <Exact_Mass> (489)
228.147

>  <Chemical_Name> (489)
3-(3-(cyclohexylmethyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 13 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
M  END
>  <Formula> (490)
C13H22N2O3

>  <Compd ID> (490)
BB-05-034

>  <Brand> (490)
DDP

>  <Mol_Weight> (490)
254.325

>  <Exact_Mass> (490)
254.163

>  <Chemical_Name> (490)
1-((3-(cyclohexylmethyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 13 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 13  1  0        0
M  END
>  <Formula> (491)
C16H28N2O3

>  <Compd ID> (491)
BB-05-035

>  <Brand> (491)
DDP

>  <Mol_Weight> (491)
296.405

>  <Exact_Mass> (491)
296.21

>  <Chemical_Name> (491)
1-((3-(cyclohexylmethyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
M  END
>  <Formula> (492)
C10H18N2O4

>  <Compd ID> (492)
BB-05-036

>  <Brand> (492)
DDP

>  <Mol_Weight> (492)
230.261

>  <Exact_Mass> (492)
230.127

>  <Chemical_Name> (492)
2-((3-(cyclohexylmethyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 12 17  1  0        0
M  END
>  <Formula> (493)
C11H21N3O3

>  <Compd ID> (493)
BB-05-037

>  <Brand> (493)
DDP

>  <Mol_Weight> (493)
243.303

>  <Exact_Mass> (493)
243.158

>  <Chemical_Name> (493)
2-(2-((cyclohexylmethyl)carbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2509  -24.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1443  -22.8868    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.2509  -21.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7206  -20.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7037  -19.0824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2071  -19.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 12 11  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 12  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 17 19  1  0        0
M  END
>  <Formula> (494)
C13H18N2O3S

>  <Compd ID> (494)
BB-05-038

>  <Brand> (494)
DDP

>  <Mol_Weight> (494)
282.359

>  <Exact_Mass> (494)
282.104

>  <Chemical_Name> (494)
3-(3-(cyclohexylmethyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -23.6467    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.2509  -24.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1443  -22.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2509  -21.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7206  -20.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7037  -19.0824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2071  -19.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10  4  1  0        0
 12 11  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 12  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 17 19  1  0        0
M  END
>  <Formula> (495)
C13H18N2O3S

>  <Compd ID> (495)
BB-05-039

>  <Brand> (495)
DDP

>  <Mol_Weight> (495)
282.359

>  <Exact_Mass> (495)
282.104

>  <Chemical_Name> (495)
2-(3-(cyclohexylmethyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 17 16  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2567  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2539  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
  7  9  1  0        0
  7 10  1  0        0
  7 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
M  END
>  <Formula> (496)
C10H18N2O5

>  <Compd ID> (496)
BB-05-041

>  <Brand> (496)
DDP

>  <Mol_Weight> (496)
246.26

>  <Exact_Mass> (496)
246.122

>  <Chemical_Name> (496)
3-(3-(2-(tert-butoxy)-2-oxoethyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2567  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2539  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
  7  9  1  0        0
  7 10  1  0        0
  7 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 14 18  1  0        0
 18 19  1  0        0
 19 14  1  0        0
M  END
>  <Formula> (497)
C12H20N2O5

>  <Compd ID> (497)
BB-05-042

>  <Brand> (497)
DDP

>  <Mol_Weight> (497)
272.298

>  <Exact_Mass> (497)
272.137

>  <Chemical_Name> (497)
1-((3-(2-(tert-butoxy)-2-oxoethyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 22 22  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2567  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2539  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
  7  9  1  0        0
  7 10  1  0        0
  7 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 14 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 14  1  0        0
M  END
>  <Formula> (498)
C15H26N2O5

>  <Compd ID> (498)
BB-05-043

>  <Brand> (498)
DDP

>  <Mol_Weight> (498)
314.377

>  <Exact_Mass> (498)
314.184

>  <Chemical_Name> (498)
1-((3-(2-(tert-butoxy)-2-oxoethyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 17 16  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2567  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2539  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
  7  9  1  0        0
  7 10  1  0        0
  7 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
M  END
>  <Formula> (499)
C9H16N2O6

>  <Compd ID> (499)
BB-05-044

>  <Brand> (499)
DDP

>  <Mol_Weight> (499)
248.233

>  <Exact_Mass> (499)
248.101

>  <Chemical_Name> (499)
10,10-dimethyl-5,8-dioxo-3,9-dioxa-4,6-diazaundecan-1-oic acid

$$$$

csCF1200/ 02271116062D

 18 17  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2567  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2539  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
  7  9  1  0        0
  7 10  1  0        0
  7 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 13 18  1  0        0
M  END
>  <Formula> (500)
C10H19N3O5

>  <Compd ID> (500)
BB-05-045

>  <Brand> (500)
DDP

>  <Mol_Weight> (500)
261.275

>  <Exact_Mass> (500)
261.132

>  <Chemical_Name> (500)
2-(2-((2-(tert-butoxy)-2-oxoethyl)carbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 20 20  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6164  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2974  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6164  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2946  -20.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2774  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
  7  9  1  0        0
  7 10  1  0        0
  7 11  1  0        0
 13 12  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 13  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 18 20  1  0        0
M  END
>  <Formula> (501)
C12H16N2O5S

>  <Compd ID> (501)
BB-05-046

>  <Brand> (501)
DDP

>  <Mol_Weight> (501)
300.331

>  <Exact_Mass> (501)
300.078

>  <Chemical_Name> (501)
3-(3-(2-(tert-butoxy)-2-oxoethyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 20  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6164  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2974  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6164  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2946  -20.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2774  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
  7  9  1  0        0
  7 10  1  0        0
  7 11  1  0        0
 13 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 13  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 18 20  1  0        0
M  END
>  <Formula> (502)
C12H16N2O5S

>  <Compd ID> (502)
BB-05-047

>  <Brand> (502)
DDP

>  <Mol_Weight> (502)
300.331

>  <Exact_Mass> (502)
300.078

>  <Chemical_Name> (502)
2-(3-(2-(tert-butoxy)-2-oxoethyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 14 13  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 12 14  2  0        0
M  END
>  <Formula> (503)
C7H12N2O5

>  <Compd ID> (503)
BB-05-049

>  <Brand> (503)
DDP

>  <Mol_Weight> (503)
204.181

>  <Exact_Mass> (503)
204.075

>  <Chemical_Name> (503)
3-(3-(2-methoxy-2-oxoethyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4434  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 12 14  2  0        0
 11 15  1  0        0
 15 16  1  0        0
 16 11  1  0        0
M  END
>  <Formula> (504)
C9H14N2O5

>  <Compd ID> (504)
BB-05-050

>  <Brand> (504)
DDP

>  <Mol_Weight> (504)
230.218

>  <Exact_Mass> (504)
230.09

>  <Chemical_Name> (504)
1-((3-(2-methoxy-2-oxoethyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 12 14  2  0        0
 11 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 11  1  0        0
M  END
>  <Formula> (505)
C12H20N2O5

>  <Compd ID> (505)
BB-05-051

>  <Brand> (505)
DDP

>  <Mol_Weight> (505)
272.298

>  <Exact_Mass> (505)
272.137

>  <Chemical_Name> (505)
1-((3-(2-methoxy-2-oxoethyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 14 13  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 12 14  2  0        0
M  END
>  <Formula> (506)
C6H10N2O6

>  <Compd ID> (506)
BB-05-052

>  <Brand> (506)
DDP

>  <Mol_Weight> (506)
206.153

>  <Exact_Mass> (506)
206.054

>  <Chemical_Name> (506)
3,6-dioxo-2,8-dioxa-5,7-diazadecan-10-oic acid

$$$$

csCF1200/ 02271116062D

 15 14  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 12 14  2  0        0
 10 15  1  0        0
M  END
>  <Formula> (507)
C7H13N3O5

>  <Compd ID> (507)
BB-05-053

>  <Brand> (507)
DDP

>  <Mol_Weight> (507)
219.195

>  <Exact_Mass> (507)
219.086

>  <Chemical_Name> (507)
2-(2-((2-methoxy-2-oxoethyl)carbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6164  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2774  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
 10  9  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 10  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 15 17  1  0        0
M  END
>  <Formula> (508)
C9H10N2O5S

>  <Compd ID> (508)
BB-05-054

>  <Brand> (508)
DDP

>  <Mol_Weight> (508)
258.251

>  <Exact_Mass> (508)
258.031

>  <Chemical_Name> (508)
3-(3-(2-methoxy-2-oxoethyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6164  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2774  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  8  1  0        0
  8  4  1  0        0
 10  9  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 10  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 15 17  1  0        0
M  END
>  <Formula> (509)
C9H10N2O5S

>  <Compd ID> (509)
BB-05-055

>  <Brand> (509)
DDP

>  <Mol_Weight> (509)
258.251

>  <Exact_Mass> (509)
258.031

>  <Chemical_Name> (509)
2-(3-(2-methoxy-2-oxoethyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 13 12  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  4  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
M  END
>  <Formula> (510)
C6H11N3O4

>  <Compd ID> (510)
BB-05-057

>  <Brand> (510)
DDP

>  <Mol_Weight> (510)
189.169

>  <Exact_Mass> (510)
189.075

>  <Chemical_Name> (510)
3-(3-(2-amino-2-oxoethyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  4  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
 10 14  1  0        0
 14 15  1  0        0
 15 10  1  0        0
M  END
>  <Formula> (511)
C8H13N3O4

>  <Compd ID> (511)
BB-05-058

>  <Brand> (511)
DDP

>  <Mol_Weight> (511)
215.207

>  <Exact_Mass> (511)
215.091

>  <Chemical_Name> (511)
1-((3-(2-amino-2-oxoethyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  4  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
 10 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 10  1  0        0
M  END
>  <Formula> (512)
C11H19N3O4

>  <Compd ID> (512)
BB-05-059

>  <Brand> (512)
DDP

>  <Mol_Weight> (512)
257.286

>  <Exact_Mass> (512)
257.138

>  <Chemical_Name> (512)
1-((3-(2-amino-2-oxoethyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 13 12  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  4  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
M  END
>  <Formula> (513)
C5H9N3O5

>  <Compd ID> (513)
BB-05-060

>  <Brand> (513)
DDP

>  <Mol_Weight> (513)
191.142

>  <Exact_Mass> (513)
191.054

>  <Chemical_Name> (513)
2-((3-(2-amino-2-oxoethyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 14 13  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  4  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
  9 14  1  0        0
M  END
>  <Formula> (514)
C6H12N4O4

>  <Compd ID> (514)
BB-05-061

>  <Brand> (514)
DDP

>  <Mol_Weight> (514)
204.184

>  <Exact_Mass> (514)
204.086

>  <Chemical_Name> (514)
2-(2-((2-amino-2-oxoethyl)carbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2774  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  4  1  0        0
  9  8  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13  9  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
M  END
>  <Formula> (515)
C8H9N3O4S

>  <Compd ID> (515)
BB-05-062

>  <Brand> (515)
DDP

>  <Mol_Weight> (515)
243.24

>  <Exact_Mass> (515)
243.031

>  <Chemical_Name> (515)
3-(3-(2-amino-2-oxoethyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2774  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  2  0        0
  7  4  1  0        0
  9  8  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13  9  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
M  END
>  <Formula> (516)
C8H9N3O4S

>  <Compd ID> (516)
BB-05-063

>  <Brand> (516)
DDP

>  <Mol_Weight> (516)
243.24

>  <Exact_Mass> (516)
243.031

>  <Chemical_Name> (516)
2-(3-(2-amino-2-oxoethyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 18 17  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9433  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -22.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
  9 10  1  0        0
  9 11  1  0        0
  9 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 16 18  2  0        0
M  END
>  <Formula> (517)
C11H20N2O5

>  <Compd ID> (517)
BB-05-065

>  <Brand> (517)
DDP

>  <Mol_Weight> (517)
260.287

>  <Exact_Mass> (517)
260.137

>  <Chemical_Name> (517)
3-(3-(3-(tert-butoxy)-3-oxopropyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 20 20  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9433  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -22.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
  9 10  1  0        0
  9 11  1  0        0
  9 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 16 18  2  0        0
 15 19  1  0        0
 19 20  1  0        0
 20 15  1  0        0
M  END
>  <Formula> (518)
C13H22N2O5

>  <Compd ID> (518)
BB-05-066

>  <Brand> (518)
DDP

>  <Mol_Weight> (518)
286.324

>  <Exact_Mass> (518)
286.153

>  <Chemical_Name> (518)
1-((3-(3-(tert-butoxy)-3-oxopropyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 23 23  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9433  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -22.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
  9 10  1  0        0
  9 11  1  0        0
  9 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 16 18  2  0        0
 15 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 15  1  0        0
M  END
>  <Formula> (519)
C16H28N2O5

>  <Compd ID> (519)
BB-05-067

>  <Brand> (519)
DDP

>  <Mol_Weight> (519)
328.404

>  <Exact_Mass> (519)
328.2

>  <Chemical_Name> (519)
1-((3-(3-(tert-butoxy)-3-oxopropyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 18 17  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9433  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -22.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
  9 10  1  0        0
  9 11  1  0        0
  9 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 16 18  2  0        0
M  END
>  <Formula> (520)
C10H18N2O6

>  <Compd ID> (520)
BB-05-068

>  <Brand> (520)
DDP

>  <Mol_Weight> (520)
262.26

>  <Exact_Mass> (520)
262.116

>  <Chemical_Name> (520)
11,11-dimethyl-5,9-dioxo-3,10-dioxa-4,6-diazadodecan-1-oic acid

$$$$

csCF1200/ 02271116062D

 19 18  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9433  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -22.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
  9 10  1  0        0
  9 11  1  0        0
  9 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 16 18  2  0        0
 14 19  1  0        0
M  END
>  <Formula> (521)
C11H21N3O5

>  <Compd ID> (521)
BB-05-069

>  <Brand> (521)
DDP

>  <Mol_Weight> (521)
275.302

>  <Exact_Mass> (521)
275.148

>  <Chemical_Name> (521)
2-(2-((3-(tert-butoxy)-3-oxopropyl)carbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 21 21  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6192  -21.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3002  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9813  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3002  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9785  -22.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
  9 10  1  0        0
  9 11  1  0        0
  9 12  1  0        0
 14 13  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 14  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 19 21  1  0        0
M  END
>  <Formula> (522)
C13H18N2O5S

>  <Compd ID> (522)
BB-05-070

>  <Brand> (522)
DDP

>  <Mol_Weight> (522)
314.357

>  <Exact_Mass> (522)
314.094

>  <Chemical_Name> (522)
3-(3-(3-(tert-butoxy)-3-oxopropyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 21 21  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6192  -21.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3002  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9813  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3002  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9785  -22.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
  9 10  1  0        0
  9 11  1  0        0
  9 12  1  0        0
 14 13  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 14  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 19 21  1  0        0
M  END
>  <Formula> (523)
C13H18N2O5S

>  <Compd ID> (523)
BB-05-071

>  <Brand> (523)
DDP

>  <Mol_Weight> (523)
314.357

>  <Exact_Mass> (523)
314.094

>  <Chemical_Name> (523)
2-(3-(3-(tert-butoxy)-3-oxopropyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 15 14  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (524)
C8H14N2O5

>  <Compd ID> (524)
BB-05-073

>  <Brand> (524)
DDP

>  <Mol_Weight> (524)
218.207

>  <Exact_Mass> (524)
218.09

>  <Chemical_Name> (524)
3-(3-(3-methoxy-3-oxopropyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 13 15  2  0        0
 12 16  1  0        0
 16 17  1  0        0
 17 12  1  0        0
M  END
>  <Formula> (525)
C10H16N2O5

>  <Compd ID> (525)
BB-05-074

>  <Brand> (525)
DDP

>  <Mol_Weight> (525)
244.244

>  <Exact_Mass> (525)
244.106

>  <Chemical_Name> (525)
1-((3-(3-methoxy-3-oxopropyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 20 20  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 13 15  2  0        0
 12 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 12  1  0        0
M  END
>  <Formula> (526)
C13H22N2O5

>  <Compd ID> (526)
BB-05-075

>  <Brand> (526)
DDP

>  <Mol_Weight> (526)
286.324

>  <Exact_Mass> (526)
286.153

>  <Chemical_Name> (526)
1-((3-(3-methoxy-3-oxopropyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 15 14  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (527)
C7H12N2O6

>  <Compd ID> (527)
BB-05-076

>  <Brand> (527)
DDP

>  <Mol_Weight> (527)
220.18

>  <Exact_Mass> (527)
220.07

>  <Chemical_Name> (527)
3,7-dioxo-2,9-dioxa-6,8-diazaundecan-11-oic acid

$$$$

csCF1200/ 02271116062D

 16 15  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8918  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 13 15  2  0        0
 11 16  1  0        0
M  END
>  <Formula> (528)
C8H15N3O5

>  <Compd ID> (528)
BB-05-077

>  <Brand> (528)
DDP

>  <Mol_Weight> (528)
233.222

>  <Exact_Mass> (528)
233.101

>  <Chemical_Name> (528)
2-(2-((3-methoxy-3-oxopropyl)carbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6192  -21.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3002  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
 11 10  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 11  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (529)
C10H12N2O5S

>  <Compd ID> (529)
BB-05-078

>  <Brand> (529)
DDP

>  <Mol_Weight> (529)
272.278

>  <Exact_Mass> (529)
272.047

>  <Chemical_Name> (529)
3-(3-(3-methoxy-3-oxopropyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6192  -21.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9381  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3002  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  6  4  1  0        0
  6  7  1  0        0
  6  8  2  0        0
  7  9  1  0        0
 11 10  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 11  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (530)
C10H12N2O5S

>  <Compd ID> (530)
BB-05-079

>  <Brand> (530)
DDP

>  <Mol_Weight> (530)
272.278

>  <Exact_Mass> (530)
272.047

>  <Chemical_Name> (530)
2-(3-(3-methoxy-3-oxopropyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 19 18  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2623  -22.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9461  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7060  -20.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1862  -22.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6299  -20.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 18  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (531)
C11H21N3O5

>  <Compd ID> (531)
BB-05-081

>  <Brand> (531)
DDP

>  <Mol_Weight> (531)
275.302

>  <Exact_Mass> (531)
275.148

>  <Chemical_Name> (531)
2,2-dimethyl-4,9-dioxo-3-oxa-5,8,10-triazatridecan-13-oic acid

$$$$

csCF1200/ 02271116062D

 21 21  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9433  -21.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7032  -20.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1834  -22.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6271  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -19.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  1  0        0
 16 17  1  0        0
 16 18  1  0        0
 16 19  1  0        0
 20 21  2  0        0
 15 20  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 20  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  9 13  1  0        0
 13 14  1  0        0
 14  9  1  0        0
M  END
>  <Formula> (532)
C13H23N3O5

>  <Compd ID> (532)
BB-05-082

>  <Brand> (532)
DDP

>  <Mol_Weight> (532)
301.339

>  <Exact_Mass> (532)
301.164

>  <Chemical_Name> (532)
1-(10,10-dimethyl-3,8-dioxo-9-oxa-2,4,7-triazaundecyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 24 24  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9433  -21.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7032  -20.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1834  -22.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6271  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -21.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5756  -19.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0        0
 19 20  1  0        0
 19 21  1  0        0
 19 22  1  0        0
 23 24  2  0        0
 18 23  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 23  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  9 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17  9  1  0        0
M  END
>  <Formula> (533)
C16H29N3O5

>  <Compd ID> (533)
BB-05-083

>  <Brand> (533)
DDP

>  <Mol_Weight> (533)
343.419

>  <Exact_Mass> (533)
343.211

>  <Chemical_Name> (533)
1-(10,10-dimethyl-3,8-dioxo-9-oxa-2,4,7-triazaundecyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 19 18  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2623  -22.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9461  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7060  -20.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1862  -22.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6299  -20.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 18  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (534)
C10H19N3O6

>  <Compd ID> (534)
BB-05-084

>  <Brand> (534)
DDP

>  <Mol_Weight> (534)
277.274

>  <Exact_Mass> (534)
277.127

>  <Chemical_Name> (534)
12,12-dimethyl-5,10-dioxo-3,11-dioxa-4,6,9-triazatridecan-1-oic acid

$$$$

csCF1200/ 02271116062D

 20 19  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2623  -22.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9461  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7060  -20.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1862  -22.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6299  -20.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0        0
 15 16  1  0        0
 15 17  1  0        0
 15 18  1  0        0
 19 20  2  0        0
 14 19  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 19  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  8 13  1  0        0
M  END
>  <Formula> (535)
C11H22N4O5

>  <Compd ID> (535)
BB-05-085

>  <Brand> (535)
DDP

>  <Mol_Weight> (535)
290.316

>  <Exact_Mass> (535)
290.159

>  <Chemical_Name> (535)
3,12,12-trimethyl-5,10-dioxo-11-oxa-3,4,6,9-tetraazatridecan-1-oic acid

$$$$

csCF1200/ 02271116062D

 22 22  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -22.1721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9841  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7456  -20.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2226  -22.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6651  -20.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 21  1  0        0
  8  7  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  1  0        0
 12  8  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
M  END
>  <Formula> (536)
C13H19N3O5S

>  <Compd ID> (536)
BB-05-086

>  <Brand> (536)
DDP

>  <Mol_Weight> (536)
329.372

>  <Exact_Mass> (536)
329.105

>  <Chemical_Name> (536)
3-(3-(2-((tert-butoxycarbonyl)amino)ethyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 22 22  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -22.1721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9841  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7456  -20.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2226  -22.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6651  -20.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 21  1  0        0
  8  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12  8  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
M  END
>  <Formula> (537)
C13H19N3O5S

>  <Compd ID> (537)
BB-05-087

>  <Brand> (537)
DDP

>  <Mol_Weight> (537)
329.372

>  <Exact_Mass> (537)
329.105

>  <Chemical_Name> (537)
2-(3-(2-((tert-butoxycarbonyl)amino)ethyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   26.9131  -22.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5942  -22.0371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2752  -22.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9563  -22.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9131  -24.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6401  -22.7970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2321  -22.0371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5510  -22.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8700  -22.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1889  -22.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5079  -22.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1889  -24.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0077  -22.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3239  -22.0371    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.3239  -20.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0077  -19.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6916  -20.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6916  -22.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 13 18  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 14  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (538)
C11H20N2O5

>  <Compd ID> (538)
BB-05-089

>  <Brand> (538)
DDP

>  <Mol_Weight> (538)
260.287

>  <Exact_Mass> (538)
260.137

>  <Chemical_Name> (538)
3-(3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   26.9145  -22.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5956  -21.8466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2766  -22.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9576  -21.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9145  -24.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6415  -22.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2335  -21.8466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5524  -22.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8714  -21.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1903  -22.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5093  -21.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1903  -24.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.6329  -20.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1099  -20.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0063  -22.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3225  -21.8450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.3225  -20.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0063  -19.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6902  -20.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6902  -21.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 15 20  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 16  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  9 13  1  0        0
 13 14  1  0        0
 14  9  1  0        0
M  END
>  <Formula> (539)
C13H22N2O5

>  <Compd ID> (539)
BB-05-090

>  <Brand> (539)
DDP

>  <Mol_Weight> (539)
286.324

>  <Exact_Mass> (539)
286.153

>  <Chemical_Name> (539)
1-((3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 23 24  0  0  0  0  0  0  0  0999 V2000
   26.9145  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5955  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2766  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9576  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9145  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6415  -22.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2335  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5524  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8714  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1903  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5093  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1903  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1903  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1903  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8714  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5524  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5524  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0063  -22.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3225  -21.3638    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.3225  -19.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0063  -19.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6902  -19.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6902  -21.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 18 23  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 19  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  9 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17  9  1  0        0
M  END
>  <Formula> (540)
C16H28N2O5

>  <Compd ID> (540)
BB-05-091

>  <Brand> (540)
DDP

>  <Mol_Weight> (540)
328.404

>  <Exact_Mass> (540)
328.2

>  <Chemical_Name> (540)
1-((3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   26.9131  -22.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5942  -22.0371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2752  -22.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9563  -22.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9131  -24.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6401  -22.7970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2321  -22.0371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5510  -22.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8700  -22.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1889  -22.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5079  -22.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1889  -24.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0077  -22.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3239  -22.0371    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.3239  -20.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0077  -19.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6916  -20.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6916  -22.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 13 18  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 14  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (541)
C10H18N2O6

>  <Compd ID> (541)
BB-05-092

>  <Brand> (541)
DDP

>  <Mol_Weight> (541)
262.26

>  <Exact_Mass> (541)
262.116

>  <Chemical_Name> (541)
2-((3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   26.9131  -22.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5942  -22.0371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2752  -22.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9563  -22.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9131  -24.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6401  -22.7970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2321  -22.0371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.5510  -22.7986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.8700  -22.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1889  -22.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5079  -22.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1889  -24.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5510  -24.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0077  -22.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3239  -22.0371    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.3239  -20.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0077  -19.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6916  -20.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6916  -22.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 14 19  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 15  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  8 13  1  0        0
M  END
>  <Formula> (542)
C11H21N3O5

>  <Compd ID> (542)
BB-05-093

>  <Brand> (542)
DDP

>  <Mol_Weight> (542)
275.302

>  <Exact_Mass> (542)
275.148

>  <Chemical_Name> (542)
2-(1-methyl-2-((2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)carbamoyl)hydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   26.9701  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6483  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3266  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0048  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9701  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6859  -22.1721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2918  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.6136  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6136  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0620  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9572  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.0620  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5327  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5136  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0224  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0480  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3669  -21.4106    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.3669  -19.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0480  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7290  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7290  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 16 21  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 17  1  0        0
  8  7  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  1  0        0
 12  8  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
M  END
>  <Formula> (543)
C13H18N2O5S

>  <Compd ID> (543)
BB-05-094

>  <Brand> (543)
DDP

>  <Mol_Weight> (543)
314.357

>  <Exact_Mass> (543)
314.094

>  <Chemical_Name> (543)
3-(3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   26.9701  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6483  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3266  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0048  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9701  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6859  -22.1721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.2918  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.6136  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6136  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.0620  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9572  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0620  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5327  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5136  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0224  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0480  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3669  -21.4106    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.3669  -19.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0480  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7290  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7290  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 16 21  1  0        0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6 17  1  0        0
  8  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12  8  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
M  END
>  <Formula> (544)
C13H18N2O5S

>  <Compd ID> (544)
BB-05-095

>  <Brand> (544)
DDP

>  <Mol_Weight> (544)
314.357

>  <Exact_Mass> (544)
314.094

>  <Chemical_Name> (544)
2-(3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
M  END
>  <Formula> (545)
C11H14N2O3

>  <Compd ID> (545)
BB-05-097

>  <Brand> (545)
DDP

>  <Mol_Weight> (545)
222.24

>  <Exact_Mass> (545)
222.1

>  <Chemical_Name> (545)
3-(3-benzylureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 13 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
M  END
>  <Formula> (546)
C13H16N2O3

>  <Compd ID> (546)
BB-05-098

>  <Brand> (546)
DDP

>  <Mol_Weight> (546)
248.278

>  <Exact_Mass> (546)
248.116

>  <Chemical_Name> (546)
1-((3-benzylureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 13 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 13  1  0        0
M  END
>  <Formula> (547)
C16H22N2O3

>  <Compd ID> (547)
BB-05-099

>  <Brand> (547)
DDP

>  <Mol_Weight> (547)
290.357

>  <Exact_Mass> (547)
290.163

>  <Chemical_Name> (547)
1-((3-benzylureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
M  END
>  <Formula> (548)
C10H12N2O4

>  <Compd ID> (548)
BB-05-100

>  <Brand> (548)
DDP

>  <Mol_Weight> (548)
224.213

>  <Exact_Mass> (548)
224.08

>  <Chemical_Name> (548)
2-((3-benzylureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 12 17  1  0        0
M  END
>  <Formula> (549)
C11H15N3O3

>  <Compd ID> (549)
BB-05-101

>  <Brand> (549)
DDP

>  <Mol_Weight> (549)
237.255

>  <Exact_Mass> (549)
237.111

>  <Chemical_Name> (549)
2-(2-(benzylcarbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 12  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 17 19  1  0        0
M  END
>  <Formula> (550)
C13H12N2O3S

>  <Compd ID> (550)
BB-05-102

>  <Brand> (550)
DDP

>  <Mol_Weight> (550)
276.311

>  <Exact_Mass> (550)
276.057

>  <Chemical_Name> (550)
3-(3-benzylureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 12  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 17 19  1  0        0
M  END
>  <Formula> (551)
C13H12N2O3S

>  <Compd ID> (551)
BB-05-103

>  <Brand> (551)
DDP

>  <Mol_Weight> (551)
276.311

>  <Exact_Mass> (551)
276.057

>  <Chemical_Name> (551)
2-(3-benzylureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
M  END
>  <Formula> (552)
C11H13FN2O3

>  <Compd ID> (552)
BB-05-105

>  <Brand> (552)
DDP

>  <Mol_Weight> (552)
240.231

>  <Exact_Mass> (552)
240.091

>  <Chemical_Name> (552)
3-(3-(4-fluorobenzyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2623  -19.0857    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 14 18  1  0        0
 18 19  1  0        0
 19 14  1  0        0
M  END
>  <Formula> (553)
C13H15FN2O3

>  <Compd ID> (553)
BB-05-106

>  <Brand> (553)
DDP

>  <Mol_Weight> (553)
266.268

>  <Exact_Mass> (553)
266.107

>  <Chemical_Name> (553)
1-((3-(4-fluorobenzyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2623  -19.0857    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 14 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 14  1  0        0
M  END
>  <Formula> (554)
C16H21FN2O3

>  <Compd ID> (554)
BB-05-107

>  <Brand> (554)
DDP

>  <Mol_Weight> (554)
308.348

>  <Exact_Mass> (554)
308.154

>  <Chemical_Name> (554)
1-((3-(4-fluorobenzyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
M  END
>  <Formula> (555)
C10H11FN2O4

>  <Compd ID> (555)
BB-05-108

>  <Brand> (555)
DDP

>  <Mol_Weight> (555)
242.204

>  <Exact_Mass> (555)
242.07

>  <Chemical_Name> (555)
2-((3-(4-fluorobenzyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 13 18  1  0        0
M  END
>  <Formula> (556)
C11H14FN3O3

>  <Compd ID> (556)
BB-05-109

>  <Brand> (556)
DDP

>  <Mol_Weight> (556)
255.246

>  <Exact_Mass> (556)
255.102

>  <Chemical_Name> (556)
2-(2-((4-fluorobenzyl)carbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 13  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 18 20  1  0        0
M  END
>  <Formula> (557)
C13H11FN2O3S

>  <Compd ID> (557)
BB-05-110

>  <Brand> (557)
DDP

>  <Mol_Weight> (557)
294.301

>  <Exact_Mass> (557)
294.047

>  <Chemical_Name> (557)
3-(3-(4-fluorobenzyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 13  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 18 20  1  0        0
M  END
>  <Formula> (558)
C13H11FN2O3S

>  <Compd ID> (558)
BB-05-111

>  <Brand> (558)
DDP

>  <Mol_Weight> (558)
294.301

>  <Exact_Mass> (558)
294.047

>  <Chemical_Name> (558)
2-(3-(4-fluorobenzyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
M  END
>  <Formula> (559)
C11H13ClN2O3

>  <Compd ID> (559)
BB-05-113

>  <Brand> (559)
DDP

>  <Mol_Weight> (559)
256.686

>  <Exact_Mass> (559)
256.061

>  <Chemical_Name> (559)
3-(3-(4-chlorobenzyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2623  -19.0857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 14 18  1  0        0
 18 19  1  0        0
 19 14  1  0        0
M  END
>  <Formula> (560)
C13H15ClN2O3

>  <Compd ID> (560)
BB-05-114

>  <Brand> (560)
DDP

>  <Mol_Weight> (560)
282.723

>  <Exact_Mass> (560)
282.077

>  <Chemical_Name> (560)
1-((3-(4-chlorobenzyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2623  -19.0857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 14 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 14  1  0        0
M  END
>  <Formula> (561)
C16H21ClN2O3

>  <Compd ID> (561)
BB-05-115

>  <Brand> (561)
DDP

>  <Mol_Weight> (561)
324.803

>  <Exact_Mass> (561)
324.124

>  <Chemical_Name> (561)
1-((3-(4-chlorobenzyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
M  END
>  <Formula> (562)
C10H11ClN2O4

>  <Compd ID> (562)
BB-05-116

>  <Brand> (562)
DDP

>  <Mol_Weight> (562)
258.658

>  <Exact_Mass> (562)
258.041

>  <Chemical_Name> (562)
2-((3-(4-chlorobenzyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 13 18  1  0        0
M  END
>  <Formula> (563)
C11H14ClN3O3

>  <Compd ID> (563)
BB-05-117

>  <Brand> (563)
DDP

>  <Mol_Weight> (563)
271.7

>  <Exact_Mass> (563)
271.072

>  <Chemical_Name> (563)
2-(2-((4-chlorobenzyl)carbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 13  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 18 20  1  0        0
M  END
>  <Formula> (564)
C13H11ClN2O3S

>  <Compd ID> (564)
BB-05-118

>  <Brand> (564)
DDP

>  <Mol_Weight> (564)
310.756

>  <Exact_Mass> (564)
310.018

>  <Chemical_Name> (564)
3-(3-(4-chlorobenzyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 13  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 18 20  1  0        0
M  END
>  <Formula> (565)
C13H11ClN2O3S

>  <Compd ID> (565)
BB-05-119

>  <Brand> (565)
DDP

>  <Mol_Weight> (565)
310.756

>  <Exact_Mass> (565)
310.018

>  <Chemical_Name> (565)
2-(3-(4-chlorobenzyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
M  END
>  <Formula> (566)
C12H16N2O3

>  <Compd ID> (566)
BB-05-121

>  <Brand> (566)
DDP

>  <Mol_Weight> (566)
236.267

>  <Exact_Mass> (566)
236.116

>  <Chemical_Name> (566)
3-(3-(4-methylbenzyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2623  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 14 18  1  0        0
 18 19  1  0        0
 19 14  1  0        0
M  END
>  <Formula> (567)
C14H18N2O3

>  <Compd ID> (567)
BB-05-122

>  <Brand> (567)
DDP

>  <Mol_Weight> (567)
262.304

>  <Exact_Mass> (567)
262.132

>  <Chemical_Name> (567)
1-((3-(4-methylbenzyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2623  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 14 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 14  1  0        0
M  END
>  <Formula> (568)
C17H24N2O3

>  <Compd ID> (568)
BB-05-123

>  <Brand> (568)
DDP

>  <Mol_Weight> (568)
304.384

>  <Exact_Mass> (568)
304.179

>  <Chemical_Name> (568)
1-((3-(4-methylbenzyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
M  END
>  <Formula> (569)
C11H14N2O4

>  <Compd ID> (569)
BB-05-124

>  <Brand> (569)
DDP

>  <Mol_Weight> (569)
238.24

>  <Exact_Mass> (569)
238.095

>  <Chemical_Name> (569)
2-((3-(4-methylbenzyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 13 18  1  0        0
M  END
>  <Formula> (570)
C12H17N3O3

>  <Compd ID> (570)
BB-05-125

>  <Brand> (570)
DDP

>  <Mol_Weight> (570)
251.282

>  <Exact_Mass> (570)
251.127

>  <Chemical_Name> (570)
2-(1-methyl-2-((4-methylbenzyl)carbamoyl)hydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 13  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 18 20  1  0        0
M  END
>  <Formula> (571)
C14H14N2O3S

>  <Compd ID> (571)
BB-05-126

>  <Brand> (571)
DDP

>  <Mol_Weight> (571)
290.338

>  <Exact_Mass> (571)
290.073

>  <Chemical_Name> (571)
3-(3-(4-methylbenzyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3030  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 13 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 13  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 18 20  1  0        0
M  END
>  <Formula> (572)
C14H14N2O3S

>  <Compd ID> (572)
BB-05-127

>  <Brand> (572)
DDP

>  <Mol_Weight> (572)
290.338

>  <Exact_Mass> (572)
290.073

>  <Chemical_Name> (572)
2-(3-(4-methylbenzyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.4170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2783  -20.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -21.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1904  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8339  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13  7  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 17 19  2  0        0
M  END
>  <Formula> (573)
C12H14N2O5

>  <Compd ID> (573)
BB-05-129

>  <Brand> (573)
DDP

>  <Mol_Weight> (573)
266.25

>  <Exact_Mass> (573)
266.09

>  <Chemical_Name> (573)
3-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 21 23  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.4170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2783  -20.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -21.8812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9535  -20.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4272  -20.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13  7  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 17 19  2  0        0
 16 20  1  0        0
 20 21  1  0        0
 21 16  1  0        0
M  END
>  <Formula> (574)
C14H16N2O5

>  <Compd ID> (574)
BB-05-130

>  <Brand> (574)
DDP

>  <Mol_Weight> (574)
292.287

>  <Exact_Mass> (574)
292.106

>  <Chemical_Name> (574)
1-((3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 24 26  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1330  -19.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2397  -20.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1330  -21.8350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13  7  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 17 19  2  0        0
 16 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 16  1  0        0
M  END
>  <Formula> (575)
C17H22N2O5

>  <Compd ID> (575)
BB-05-131

>  <Brand> (575)
DDP

>  <Mol_Weight> (575)
334.367

>  <Exact_Mass> (575)
334.153

>  <Chemical_Name> (575)
1-((3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.4170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2783  -20.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -21.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1904  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8339  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13  7  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 17 19  2  0        0
M  END
>  <Formula> (576)
C11H12N2O6

>  <Compd ID> (576)
BB-05-132

>  <Brand> (576)
DDP

>  <Mol_Weight> (576)
268.223

>  <Exact_Mass> (576)
268.07

>  <Chemical_Name> (576)
2-((3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.4170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2783  -20.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -21.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1904  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8339  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13  7  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 17 19  2  0        0
 15 20  1  0        0
M  END
>  <Formula> (577)
C12H15N3O5

>  <Compd ID> (577)
BB-05-133

>  <Brand> (577)
DDP

>  <Mol_Weight> (577)
281.265

>  <Exact_Mass> (577)
281.101

>  <Chemical_Name> (577)
2-(2-((benzo[d][1,3]dioxol-5-ylmethyl)carbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.4170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2783  -20.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -21.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0        0
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 16 17  2  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 15  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 20 22  1  0        0
M  END
>  <Formula> (578)
C14H12N2O5S

>  <Compd ID> (578)
BB-05-134

>  <Brand> (578)
DDP

>  <Mol_Weight> (578)
320.32

>  <Exact_Mass> (578)
320.047

>  <Chemical_Name> (578)
3-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.4170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2783  -20.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -21.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13  7  1  0        0
 15 14  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 15  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 20 22  1  0        0
M  END
>  <Formula> (579)
C14H12N2O5S

>  <Compd ID> (579)
BB-05-135

>  <Brand> (579)
DDP

>  <Mol_Weight> (579)
320.32

>  <Exact_Mass> (579)
320.047

>  <Chemical_Name> (579)
2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
M  END
>  <Formula> (580)
C10H13N3O3

>  <Compd ID> (580)
BB-05-137

>  <Brand> (580)
DDP

>  <Mol_Weight> (580)
223.229

>  <Exact_Mass> (580)
223.096

>  <Chemical_Name> (580)
3-(3-(pyridin-4-ylmethyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 13 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
M  END
>  <Formula> (581)
C12H15N3O3

>  <Compd ID> (581)
BB-05-138

>  <Brand> (581)
DDP

>  <Mol_Weight> (581)
249.266

>  <Exact_Mass> (581)
249.111

>  <Chemical_Name> (581)
1-((3-(pyridin-4-ylmethyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 13 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 13  1  0        0
M  END
>  <Formula> (582)
C15H21N3O3

>  <Compd ID> (582)
BB-05-139

>  <Brand> (582)
DDP

>  <Mol_Weight> (582)
291.346

>  <Exact_Mass> (582)
291.158

>  <Chemical_Name> (582)
1-((3-(pyridin-4-ylmethyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -22.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108  -19.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8946  -19.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
M  END
>  <Formula> (583)
C9H11N3O4

>  <Compd ID> (583)
BB-05-140

>  <Brand> (583)
DDP

>  <Mol_Weight> (583)
225.201

>  <Exact_Mass> (583)
225.075

>  <Chemical_Name> (583)
2-((3-(pyridin-4-ylmethyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6219  -19.8876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5468  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1903  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8338  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 12 17  1  0        0
M  END
>  <Formula> (584)
C10H14N4O3

>  <Compd ID> (584)
BB-05-141

>  <Brand> (584)
DDP

>  <Mol_Weight> (584)
238.243

>  <Exact_Mass> (584)
238.107

>  <Chemical_Name> (584)
2-(1-methyl-2-((pyridin-4-ylmethyl)carbamoyl)hydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 12  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 17 19  1  0        0
M  END
>  <Formula> (585)
C12H11N3O3S

>  <Compd ID> (585)
BB-05-142

>  <Brand> (585)
DDP

>  <Mol_Weight> (585)
277.299

>  <Exact_Mass> (585)
277.052

>  <Chemical_Name> (585)
3-(3-(pyridin-4-ylmethyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -22.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2599  -19.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9409  -19.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -19.8876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  1  5  2  0        0
  4  6  1  0        0
  6  7  2  0        0
  4  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 12  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 17 19  1  0        0
M  END
>  <Formula> (586)
C12H11N3O3S

>  <Compd ID> (586)
BB-05-143

>  <Brand> (586)
DDP

>  <Mol_Weight> (586)
277.299

>  <Exact_Mass> (586)
277.052

>  <Chemical_Name> (586)
2-(3-(pyridin-4-ylmethyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7651  -19.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8699  -20.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7651  -21.8377    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (587)
C9H12N2O3S

>  <Compd ID> (587)
BB-05-145

>  <Brand> (587)
DDP

>  <Mol_Weight> (587)
228.268

>  <Exact_Mass> (587)
228.057

>  <Chemical_Name> (587)
3-(3-(thiophen-2-ylmethyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 17 18  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7651  -19.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8699  -20.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7651  -21.8377    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 13 15  2  0        0
 12 16  1  0        0
 16 17  1  0        0
 17 12  1  0        0
M  END
>  <Formula> (588)
C11H14N2O3S

>  <Compd ID> (588)
BB-05-146

>  <Brand> (588)
DDP

>  <Mol_Weight> (588)
254.305

>  <Exact_Mass> (588)
254.073

>  <Chemical_Name> (588)
1-((3-(thiophen-2-ylmethyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7651  -19.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8699  -20.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7651  -21.8377    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 13 15  2  0        0
 12 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 12  1  0        0
M  END
>  <Formula> (589)
C14H20N2O3S

>  <Compd ID> (589)
BB-05-147

>  <Brand> (589)
DDP

>  <Mol_Weight> (589)
296.385

>  <Exact_Mass> (589)
296.119

>  <Chemical_Name> (589)
1-((3-(thiophen-2-ylmethyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7651  -19.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8699  -20.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7651  -21.8377    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 13 15  2  0        0
M  END
>  <Formula> (590)
C8H10N2O4S

>  <Compd ID> (590)
BB-05-148

>  <Brand> (590)
DDP

>  <Mol_Weight> (590)
230.241

>  <Exact_Mass> (590)
230.036

>  <Chemical_Name> (590)
2-((3-(thiophen-2-ylmethyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7651  -19.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8699  -20.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7651  -21.8377    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 13 15  2  0        0
 11 16  1  0        0
M  END
>  <Formula> (591)
C9H13N3O3S

>  <Compd ID> (591)
BB-05-149

>  <Brand> (591)
DDP

>  <Mol_Weight> (591)
243.283

>  <Exact_Mass> (591)
243.068

>  <Chemical_Name> (591)
2-(1-methyl-2-((thiophen-2-ylmethyl)carbamoyl)hydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -19.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8111  -19.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9141  -20.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8111  -21.8838    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2774  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  1  0        0
 11 10  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 11  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (592)
C11H10N2O3S2

>  <Compd ID> (592)
BB-05-150

>  <Brand> (592)
DDP

>  <Mol_Weight> (592)
282.339

>  <Exact_Mass> (592)
282.013

>  <Chemical_Name> (592)
3-(3-(thiophen-2-ylmethyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -19.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8111  -19.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9141  -20.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8111  -21.8838    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2774  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  1  0        0
 11 10  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 11  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 16 18  1  0        0
M  END
>  <Formula> (593)
C11H10N2O3S2

>  <Compd ID> (593)
BB-05-151

>  <Brand> (593)
DDP

>  <Mol_Weight> (593)
282.339

>  <Exact_Mass> (593)
282.013

>  <Chemical_Name> (593)
2-(3-(thiophen-2-ylmethyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
M  END
>  <Formula> (594)
C12H16N2O3

>  <Compd ID> (594)
BB-05-153

>  <Brand> (594)
DDP

>  <Mol_Weight> (594)
236.267

>  <Exact_Mass> (594)
236.116

>  <Chemical_Name> (594)
3-(3-phenethylureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 14 18  1  0        0
 18 19  1  0        0
 19 14  1  0        0
M  END
>  <Formula> (595)
C14H18N2O3

>  <Compd ID> (595)
BB-05-154

>  <Brand> (595)
DDP

>  <Mol_Weight> (595)
262.304

>  <Exact_Mass> (595)
262.132

>  <Chemical_Name> (595)
1-((3-phenethylureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 14 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 14  1  0        0
M  END
>  <Formula> (596)
C17H24N2O3

>  <Compd ID> (596)
BB-05-155

>  <Brand> (596)
DDP

>  <Mol_Weight> (596)
304.384

>  <Exact_Mass> (596)
304.179

>  <Chemical_Name> (596)
1-((3-phenethylureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
M  END
>  <Formula> (597)
C11H14N2O4

>  <Compd ID> (597)
BB-05-156

>  <Brand> (597)
DDP

>  <Mol_Weight> (597)
238.24

>  <Exact_Mass> (597)
238.095

>  <Chemical_Name> (597)
2-((3-phenethylureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 15 17  2  0        0
 13 18  1  0        0
M  END
>  <Formula> (598)
C12H17N3O3

>  <Compd ID> (598)
BB-05-157

>  <Brand> (598)
DDP

>  <Mol_Weight> (598)
251.282

>  <Exact_Mass> (598)
251.127

>  <Chemical_Name> (598)
2-(1-methyl-2-(phenethylcarbamoyl)hydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3002  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3002  -23.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -24.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -23.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2774  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 13 12  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 13  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 18 20  1  0        0
M  END
>  <Formula> (599)
C14H14N2O3S

>  <Compd ID> (599)
BB-05-158

>  <Brand> (599)
DDP

>  <Mol_Weight> (599)
290.338

>  <Exact_Mass> (599)
290.073

>  <Chemical_Name> (599)
3-(3-phenethylureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3002  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3002  -23.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6220  -24.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -23.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2774  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 13 12  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 13  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 18 20  1  0        0
M  END
>  <Formula> (600)
C14H14N2O3S

>  <Compd ID> (600)
BB-05-159

>  <Brand> (600)
DDP

>  <Mol_Weight> (600)
290.338

>  <Exact_Mass> (600)
290.073

>  <Chemical_Name> (600)
2-(3-phenethylureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  5 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 18 20  2  0        0
M  END
>  <Formula> (601)
C15H16N2O3

>  <Compd ID> (601)
BB-05-161

>  <Brand> (601)
DDP

>  <Mol_Weight> (601)
272.299

>  <Exact_Mass> (601)
272.116

>  <Chemical_Name> (601)
3-(3-(naphthalen-1-ylmethyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  5 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 18 20  2  0        0
 17 21  1  0        0
 21 22  1  0        0
 22 17  1  0        0
M  END
>  <Formula> (602)
C17H18N2O3

>  <Compd ID> (602)
BB-05-162

>  <Brand> (602)
DDP

>  <Mol_Weight> (602)
298.336

>  <Exact_Mass> (602)
298.132

>  <Chemical_Name> (602)
1-((3-(naphthalen-1-ylmethyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  5 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 18 20  2  0        0
 17 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 25  1  0        0
 25 17  1  0        0
M  END
>  <Formula> (603)
C20H24N2O3

>  <Compd ID> (603)
BB-05-163

>  <Brand> (603)
DDP

>  <Mol_Weight> (603)
340.416

>  <Exact_Mass> (603)
340.179

>  <Chemical_Name> (603)
1-((3-(naphthalen-1-ylmethyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  5 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 18 20  2  0        0
M  END
>  <Formula> (604)
C14H14N2O4

>  <Compd ID> (604)
BB-05-164

>  <Brand> (604)
DDP

>  <Mol_Weight> (604)
274.272

>  <Exact_Mass> (604)
274.095

>  <Chemical_Name> (604)
2-((3-(naphthalen-1-ylmethyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  5 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 18 20  2  0        0
 16 21  1  0        0
M  END
>  <Formula> (605)
C15H17N3O3

>  <Compd ID> (605)
BB-05-165

>  <Brand> (605)
DDP

>  <Mol_Weight> (605)
287.314

>  <Exact_Mass> (605)
287.127

>  <Chemical_Name> (605)
2-(1-methyl-2-((naphthalen-1-ylmethyl)carbamoyl)hydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -24.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1443  -22.8868    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -21.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7206  -20.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7037  -19.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2072  -19.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  5 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 16  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 21 23  1  0        0
M  END
>  <Formula> (606)
C17H14N2O3S

>  <Compd ID> (606)
BB-05-166

>  <Brand> (606)
DDP

>  <Mol_Weight> (606)
326.37

>  <Exact_Mass> (606)
326.073

>  <Chemical_Name> (606)
3-(3-(naphthalen-1-ylmethyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -24.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1443  -22.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -21.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7206  -20.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7037  -19.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2072  -19.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  5 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 16  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 21 23  1  0        0
M  END
>  <Formula> (607)
C17H14N2O3S

>  <Compd ID> (607)
BB-05-167

>  <Brand> (607)
DDP

>  <Mol_Weight> (607)
326.37

>  <Exact_Mass> (607)
326.073

>  <Chemical_Name> (607)
2-(3-(naphthalen-1-ylmethyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  5  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 18 20  2  0        0
M  END
>  <Formula> (608)
C15H16N2O3

>  <Compd ID> (608)
BB-05-169

>  <Brand> (608)
DDP

>  <Mol_Weight> (608)
272.299

>  <Exact_Mass> (608)
272.116

>  <Chemical_Name> (608)
3-(3-(naphthalen-2-ylmethyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 22 24  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  5  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 18 20  2  0        0
 17 21  1  0        0
 21 22  1  0        0
 22 17  1  0        0
M  END
>  <Formula> (609)
C17H18N2O3

>  <Compd ID> (609)
BB-05-170

>  <Brand> (609)
DDP

>  <Mol_Weight> (609)
298.336

>  <Exact_Mass> (609)
298.132

>  <Chemical_Name> (609)
1-((3-(naphthalen-2-ylmethyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  5  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 18 20  2  0        0
 17 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 25  1  0        0
 25 17  1  0        0
M  END
>  <Formula> (610)
C20H24N2O3

>  <Compd ID> (610)
BB-05-171

>  <Brand> (610)
DDP

>  <Mol_Weight> (610)
340.416

>  <Exact_Mass> (610)
340.179

>  <Chemical_Name> (610)
1-((3-(naphthalen-2-ylmethyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  5  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 18 20  2  0        0
M  END
>  <Formula> (611)
C14H14N2O4

>  <Compd ID> (611)
BB-05-172

>  <Brand> (611)
DDP

>  <Mol_Weight> (611)
274.272

>  <Exact_Mass> (611)
274.095

>  <Chemical_Name> (611)
2-((3-(naphthalen-2-ylmethyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  5  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 17 16  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 18 20  2  0        0
 16 21  1  0        0
M  END
>  <Formula> (612)
C15H17N3O3

>  <Compd ID> (612)
BB-05-173

>  <Brand> (612)
DDP

>  <Mol_Weight> (612)
287.314

>  <Exact_Mass> (612)
287.127

>  <Chemical_Name> (612)
2-(1-methyl-2-((naphthalen-2-ylmethyl)carbamoyl)hydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -24.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1443  -22.8868    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -21.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7206  -20.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7037  -19.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2072  -19.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  5  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 16  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 21 23  1  0        0
M  END
>  <Formula> (613)
C17H14N2O3S

>  <Compd ID> (613)
BB-05-174

>  <Brand> (613)
DDP

>  <Mol_Weight> (613)
326.37

>  <Exact_Mass> (613)
326.073

>  <Chemical_Name> (613)
3-(3-(naphthalen-2-ylmethyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -24.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1443  -22.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -21.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7206  -20.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7037  -19.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2072  -19.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  5  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  7  1  0        0
 16 15  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 16  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 21 23  1  0        0
M  END
>  <Formula> (614)
C17H14N2O3S

>  <Compd ID> (614)
BB-05-175

>  <Brand> (614)
DDP

>  <Mol_Weight> (614)
326.37

>  <Exact_Mass> (614)
326.073

>  <Chemical_Name> (614)
2-(3-(naphthalen-2-ylmethyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 24 25  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -26.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  8  7  1  0        0
  8  9  2  0        0
 10  7  2  0        0
  6 11  1  0        0
  9 12  1  0        0
 12 13  2  0        0
 13 10  1  0        0
 11 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 11  1  0        0
 20 19  1  0        0
 21 20  1  0        0
 22 21  1  0        0
 23 22  1  0        0
 22 24  2  0        0
M  END
>  <Formula> (615)
C19H22N2O3

>  <Compd ID> (615)
BB-05-177

>  <Brand> (615)
DDP

>  <Mol_Weight> (615)
326.39

>  <Exact_Mass> (615)
326.163

>  <Chemical_Name> (615)
3-(3-(3,3-diphenylpropyl)ureido)propanoic acid

$$$$

csCF1200/ 02271116062D

 26 28  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -26.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  8  7  1  0        0
  8  9  2  0        0
 10  7  2  0        0
  6 11  1  0        0
  9 12  1  0        0
 12 13  2  0        0
 13 10  1  0        0
 11 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 11  1  0        0
 20 19  1  0        0
 21 20  1  0        0
 22 21  1  0        0
 23 22  1  0        0
 22 24  2  0        0
 21 25  1  0        0
 25 26  1  0        0
 26 21  1  0        0
M  END
>  <Formula> (616)
C21H24N2O3

>  <Compd ID> (616)
BB-05-178

>  <Brand> (616)
DDP

>  <Mol_Weight> (616)
352.427

>  <Exact_Mass> (616)
352.179

>  <Chemical_Name> (616)
1-((3-(3,3-diphenylpropyl)ureido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 29 31  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -26.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8055  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  8  7  1  0        0
  8  9  2  0        0
 10  7  2  0        0
  6 11  1  0        0
  9 12  1  0        0
 12 13  2  0        0
 13 10  1  0        0
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 14 15  1  0        0
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 17 18  2  0        0
 18 11  1  0        0
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 21 20  1  0        0
 22 21  1  0        0
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 22 24  2  0        0
 21 25  1  0        0
 25 26  1  0        0
 26 27  1  0        0
 27 28  1  0        0
 28 29  1  0        0
 29 21  1  0        0
M  END
>  <Formula> (617)
C24H30N2O3

>  <Compd ID> (617)
BB-05-179

>  <Brand> (617)
DDP

>  <Mol_Weight> (617)
394.507

>  <Exact_Mass> (617)
394.226

>  <Chemical_Name> (617)
1-((3-(3,3-diphenylpropyl)ureido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 24 25  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -26.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  8  7  1  0        0
  8  9  2  0        0
 10  7  2  0        0
  6 11  1  0        0
  9 12  1  0        0
 12 13  2  0        0
 13 10  1  0        0
 11 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 11  1  0        0
 20 19  1  0        0
 21 20  1  0        0
 22 21  1  0        0
 23 22  1  0        0
 22 24  2  0        0
M  END
>  <Formula> (618)
C18H20N2O4

>  <Compd ID> (618)
BB-05-180

>  <Brand> (618)
DDP

>  <Mol_Weight> (618)
328.362

>  <Exact_Mass> (618)
328.142

>  <Chemical_Name> (618)
2-((3-(3,3-diphenylpropyl)ureido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 25 26  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -26.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  8  7  1  0        0
  8  9  2  0        0
 10  7  2  0        0
  6 11  1  0        0
  9 12  1  0        0
 12 13  2  0        0
 13 10  1  0        0
 11 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 11  1  0        0
 20 19  1  0        0
 21 20  1  0        0
 22 21  1  0        0
 23 22  1  0        0
 22 24  2  0        0
 20 25  1  0        0
M  END
>  <Formula> (619)
C19H23N3O3

>  <Compd ID> (619)
BB-05-181

>  <Brand> (619)
DDP

>  <Mol_Weight> (619)
341.404

>  <Exact_Mass> (619)
341.174

>  <Chemical_Name> (619)
2-(2-((3,3-diphenylpropyl)carbamoyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 27 29  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -26.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -24.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1443  -22.8868    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -21.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7206  -20.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7037  -19.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2072  -19.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  8  7  1  0        0
  8  9  2  0        0
 10  7  2  0        0
  6 11  1  0        0
  9 12  1  0        0
 12 13  2  0        0
 13 10  1  0        0
 11 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 11  1  0        0
 20 19  1  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 20  2  0        0
 24 25  1  0        0
 25 26  2  0        0
 25 27  1  0        0
M  END
>  <Formula> (620)
C21H20N2O3S

>  <Compd ID> (620)
BB-05-182

>  <Brand> (620)
DDP

>  <Mol_Weight> (620)
380.46

>  <Exact_Mass> (620)
380.119

>  <Chemical_Name> (620)
3-(3-(3,3-diphenylpropyl)ureido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 27 29  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2595  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -19.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9405  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5784  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -26.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -25.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2163  -24.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -24.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1443  -22.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2510  -21.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7206  -20.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7037  -19.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2072  -19.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  8  7  1  0        0
  8  9  2  0        0
 10  7  2  0        0
  6 11  1  0        0
  9 12  1  0        0
 12 13  2  0        0
 13 10  1  0        0
 11 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 11  1  0        0
 20 19  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  2  0        0
 23 24  1  0        0
 24 20  2  0        0
 24 25  1  0        0
 25 26  2  0        0
 25 27  1  0        0
M  END
>  <Formula> (621)
C21H20N2O3S

>  <Compd ID> (621)
BB-05-183

>  <Brand> (621)
DDP

>  <Mol_Weight> (621)
380.46

>  <Exact_Mass> (621)
380.119

>  <Chemical_Name> (621)
2-(3-(3,3-diphenylpropyl)ureido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 12 11  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  3  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (622)
C7H13NO4

>  <Compd ID> (622)
BB-05-185

>  <Brand> (622)
DDP

>  <Mol_Weight> (622)
175.182

>  <Exact_Mass> (622)
175.084

>  <Chemical_Name> (622)
3-((isopropoxycarbonyl)amino)propanoic acid

$$$$

csCF1200/ 02271116062D

 14 14  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  3  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  9 13  1  0        0
 13 14  1  0        0
 14  9  1  0        0
M  END
>  <Formula> (623)
C9H15NO4

>  <Compd ID> (623)
BB-05-186

>  <Brand> (623)
DDP

>  <Mol_Weight> (623)
201.22

>  <Exact_Mass> (623)
201.1

>  <Chemical_Name> (623)
1-(((isopropoxycarbonyl)amino)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  3  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  9 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17  9  1  0        0
M  END
>  <Formula> (624)
C12H21NO4

>  <Compd ID> (624)
BB-05-187

>  <Brand> (624)
DDP

>  <Mol_Weight> (624)
243.299

>  <Exact_Mass> (624)
243.147

>  <Chemical_Name> (624)
1-(((isopropoxycarbonyl)amino)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 12 11  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  3  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
M  END
>  <Formula> (625)
C6H11NO5

>  <Compd ID> (625)
BB-05-188

>  <Brand> (625)
DDP

>  <Mol_Weight> (625)
177.155

>  <Exact_Mass> (625)
177.064

>  <Chemical_Name> (625)
2-(((isopropoxycarbonyl)amino)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 13 12  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  3  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 10 12  2  0        0
  8 13  1  0        0
M  END
>  <Formula> (626)
C7H14N2O4

>  <Compd ID> (626)
BB-05-189

>  <Brand> (626)
DDP

>  <Mol_Weight> (626)
190.197

>  <Exact_Mass> (626)
190.095

>  <Chemical_Name> (626)
2-(2-(isopropoxycarbonyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  3  6  1  0        0
  8  7  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  1  0        0
 12  8  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
M  END
>  <Formula> (627)
C9H11NO4S

>  <Compd ID> (627)
BB-05-190

>  <Brand> (627)
DDP

>  <Mol_Weight> (627)
229.253

>  <Exact_Mass> (627)
229.041

>  <Chemical_Name> (627)
3-((isopropoxycarbonyl)amino)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  3  6  1  0        0
  8  7  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12  8  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 13 15  1  0        0
M  END
>  <Formula> (628)
C9H11NO4S

>  <Compd ID> (628)
BB-05-191

>  <Brand> (628)
DDP

>  <Mol_Weight> (628)
229.253

>  <Exact_Mass> (628)
229.041

>  <Chemical_Name> (628)
2-((isopropoxycarbonyl)amino)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 13 12  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
M  END
>  <Formula> (629)
C8H15NO4

>  <Compd ID> (629)
BB-05-193

>  <Brand> (629)
DDP

>  <Mol_Weight> (629)
189.209

>  <Exact_Mass> (629)
189.1

>  <Chemical_Name> (629)
3-((isobutoxycarbonyl)amino)propanoic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
 10 14  1  0        0
 14 15  1  0        0
 15 10  1  0        0
M  END
>  <Formula> (630)
C10H17NO4

>  <Compd ID> (630)
BB-05-194

>  <Brand> (630)
DDP

>  <Mol_Weight> (630)
215.246

>  <Exact_Mass> (630)
215.116

>  <Chemical_Name> (630)
1-(((isobutoxycarbonyl)amino)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
 10 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 10  1  0        0
M  END
>  <Formula> (631)
C13H23NO4

>  <Compd ID> (631)
BB-05-195

>  <Brand> (631)
DDP

>  <Mol_Weight> (631)
257.326

>  <Exact_Mass> (631)
257.163

>  <Chemical_Name> (631)
1-(((isobutoxycarbonyl)amino)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 13 12  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
M  END
>  <Formula> (632)
C7H13NO5

>  <Compd ID> (632)
BB-05-196

>  <Brand> (632)
DDP

>  <Mol_Weight> (632)
191.182

>  <Exact_Mass> (632)
191.079

>  <Chemical_Name> (632)
2-(((isobutoxycarbonyl)amino)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 14 13  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -23.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 11 13  2  0        0
  9 14  1  0        0
M  END
>  <Formula> (633)
C8H16N2O4

>  <Compd ID> (633)
BB-05-197

>  <Brand> (633)
DDP

>  <Mol_Weight> (633)
204.224

>  <Exact_Mass> (633)
204.111

>  <Chemical_Name> (633)
2-(2-(isobutoxycarbonyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  1  0        0
  9  8  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13  9  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
M  END
>  <Formula> (634)
C10H13NO4S

>  <Compd ID> (634)
BB-05-198

>  <Brand> (634)
DDP

>  <Mol_Weight> (634)
243.28

>  <Exact_Mass> (634)
243.057

>  <Chemical_Name> (634)
3-((isobutoxycarbonyl)amino)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7686  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  1  0        0
  9  8  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13  9  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
M  END
>  <Formula> (635)
C10H13NO4S

>  <Compd ID> (635)
BB-05-199

>  <Brand> (635)
DDP

>  <Mol_Weight> (635)
243.28

>  <Exact_Mass> (635)
243.057

>  <Chemical_Name> (635)
2-((isobutoxycarbonyl)amino)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -19.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6247  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6247  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1904  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8339  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  2  0        0
  6  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
M  END
>  <Formula> (636)
C11H13NO4

>  <Compd ID> (636)
BB-05-201

>  <Brand> (636)
DDP

>  <CAS #> (636)
2304-94-1

>  <Mol_Weight> (636)
223.225

>  <Exact_Mass> (636)
223.084

>  <Chemical_Name> (636)
3-(((benzyloxy)carbonyl)amino)propanoic acid

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5812  -19.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5812  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8860  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3630  -20.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  2  0        0
  6  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 13 17  1  0        0
 17 18  1  0        0
 18 13  1  0        0
M  END
>  <Formula> (637)
C13H15NO4

>  <Compd ID> (637)
BB-05-202

>  <Brand> (637)
DDP

>  <Mol_Weight> (637)
249.262

>  <Exact_Mass> (637)
249.1

>  <Chemical_Name> (637)
1-((((benzyloxy)carbonyl)amino)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   27.1676  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8487  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5297  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1676  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2136  -19.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8974  -19.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5812  -19.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5812  -21.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4866  -21.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -21.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -22.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7624  -21.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -23.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4435  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1245  -18.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -19.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8056  -20.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  2  0        0
  6  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 13 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 13  1  0        0
M  END
>  <Formula> (638)
C16H21NO4

>  <Compd ID> (638)
BB-05-203

>  <Brand> (638)
DDP

>  <Mol_Weight> (638)
291.342

>  <Exact_Mass> (638)
291.147

>  <Chemical_Name> (638)
1-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -19.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6247  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6247  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1904  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8339  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  2  0        0
  6  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
M  END
>  <Formula> (639)
C10H11NO5

>  <Compd ID> (639)
BB-05-204

>  <Brand> (639)
DDP

>  <Mol_Weight> (639)
225.198

>  <Exact_Mass> (639)
225.064

>  <Chemical_Name> (639)
2-((((benzyloxy)carbonyl)amino)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5816  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -19.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6247  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6247  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.1904  -21.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8339  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5121  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  2  0        0
  6  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  7  1  0        0
 12 11  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 14 16  2  0        0
 12 17  1  0        0
M  END
>  <Formula> (640)
C11H14N2O4

>  <Compd ID> (640)
BB-05-205

>  <Brand> (640)
DDP

>  <Mol_Weight> (640)
238.24

>  <Exact_Mass> (640)
238.095

>  <Chemical_Name> (640)
2-(2-((benzyloxy)carbonyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5817  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7687  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -19.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6248  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6248  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  2  0        0
  9  8  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  1  0        0
 13  9  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
  6 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19  7  1  0        0
M  END
>  <Formula> (641)
C13H11NO4S

>  <Compd ID> (641)
BB-05-206

>  <Brand> (641)
DDP

>  <Mol_Weight> (641)
277.296

>  <Exact_Mass> (641)
277.041

>  <Chemical_Name> (641)
3-(((benzyloxy)carbonyl)amino)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   27.2251  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9034  -21.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5817  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2251  -23.6967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2627  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5469  -21.4106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -22.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8686  -23.6967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -24.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2123  -22.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3171  -21.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7877  -20.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7687  -19.1228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.2775  -19.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9437  -19.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6248  -19.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6248  -21.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  2  0        0
  3  5  1  0        0
  5  6  1  0        0
  5  7  2  0        0
  9  8  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13  9  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 14 16  1  0        0
  6 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19  7  1  0        0
M  END
>  <Formula> (642)
C13H11NO4S

>  <Compd ID> (642)
BB-05-207

>  <Brand> (642)
DDP

>  <Mol_Weight> (642)
277.296

>  <Exact_Mass> (642)
277.041

>  <Chemical_Name> (642)
2-(((benzyloxy)carbonyl)amino)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   26.4830  -22.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1641  -23.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8479  -22.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5591  -22.1289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0821  -22.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8436  -20.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3666  -20.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1281  -19.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1265  -22.1261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5317  -23.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5317  -24.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8479  -25.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1641  -24.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7992  -23.4451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.0393  -24.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1154  -24.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  2  0        0
 14 16  2  0        0
 14  4  1  0        0
  1 14  1  0        0
  2  1  1  0        0
  2  3  2  0        0
  5  4  1  0        0
  6  5  1  0        0
  7  6  1  0        0
  8  7  1  0        0
  7  9  2  0        0
  3 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  2  1  0        0
M  END
>  <Formula> (643)
C10H13NO4S

>  <Compd ID> (643)
BB-05-209

>  <Brand> (643)
DDP

>  <Mol_Weight> (643)
243.28

>  <Exact_Mass> (643)
243.057

>  <Chemical_Name> (643)
3-(phenylmethylsulfonamido)propanoic acid

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   24.5339  -21.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5339  -22.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2177  -23.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1662  -19.8448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4852  -20.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8042  -19.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1231  -20.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4421  -19.8448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1231  -22.1261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2177  -25.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5339  -25.9272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8501  -25.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8501  -23.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5657  -18.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0427  -18.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8501  -20.6047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.0902  -19.2885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6100  -21.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  2  0        0
 16 18  2  0        0
 16  4  1  0        0
  1 16  1  0        0
  2  1  1  0        0
  2  3  2  0        0
  5  4  1  0        0
  6  5  1  0        0
  7  6  1  0        0
  8  7  1  0        0
  7  9  2  0        0
  3 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  2  1  0        0
  6 14  1  0        0
 14 15  1  0        0
 15  6  1  0        0
M  END
>  <Formula> (644)
C12H15NO4S

>  <Compd ID> (644)
BB-05-210

>  <Brand> (644)
DDP

>  <Mol_Weight> (644)
269.317

>  <Exact_Mass> (644)
269.072

>  <Chemical_Name> (644)
1-((phenylmethylsulfonamido)methyl)cyclopropanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   24.5311  -21.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5311  -22.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2149  -23.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1690  -19.8432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4880  -20.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8069  -19.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1259  -20.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4449  -19.8432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1259  -22.1245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2149  -25.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5311  -25.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8473  -25.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8473  -23.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1259  -19.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1259  -17.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8069  -16.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4880  -17.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4880  -19.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8501  -20.6047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.0902  -19.2885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6100  -21.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  2  0        0
 19 21  2  0        0
 19  4  1  0        0
  1 19  1  0        0
  2  1  1  0        0
  2  3  2  0        0
  5  4  1  0        0
  6  5  1  0        0
  7  6  1  0        0
  8  7  1  0        0
  7  9  2  0        0
  3 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  2  1  0        0
  6 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18  6  1  0        0
M  END
>  <Formula> (645)
C15H21NO4S

>  <Compd ID> (645)
BB-05-211

>  <Brand> (645)
DDP

>  <Mol_Weight> (645)
311.397

>  <Exact_Mass> (645)
311.119

>  <Chemical_Name> (645)
1-((phenylmethylsulfonamido)methyl)cyclohexanecarboxylic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   26.4830  -22.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1641  -23.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8479  -22.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5591  -22.1289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0821  -22.1289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8436  -20.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3666  -20.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1281  -19.4910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1265  -22.1261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5317  -23.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5317  -24.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8479  -25.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1641  -24.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7992  -23.4451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.0393  -24.7612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1154  -24.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  2  0        0
 14 16  2  0        0
 14  4  1  0        0
  1 14  1  0        0
  2  1  1  0        0
  2  3  2  0        0
  5  4  1  0        0
  6  5  1  0        0
  7  6  1  0        0
  8  7  1  0        0
  7  9  2  0        0
  3 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  2  1  0        0
M  END
>  <Formula> (646)
C9H11NO5S

>  <Compd ID> (646)
BB-05-212

>  <Brand> (646)
DDP

>  <Mol_Weight> (646)
245.252

>  <Exact_Mass> (646)
245.036

>  <Chemical_Name> (646)
2-((phenylmethylsulfonamido)oxy)acetic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   26.5390  -22.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2173  -23.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8983  -22.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6195  -22.1757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1457  -22.1757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.9088  -20.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4350  -20.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1981  -19.5322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1965  -22.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5794  -23.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5794  -25.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8983  -25.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2173  -25.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9072  -23.4946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8580  -23.4947    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.0965  -24.8136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1769  -24.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  2  0        0
 15 17  2  0        0
 15  4  1  0        0
  1 15  1  0        0
  2  1  1  0        0
  2  3  2  0        0
  5  4  1  0        0
  6  5  1  0        0
  7  6  1  0        0
  8  7  1  0        0
  7  9  2  0        0
  3 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  2  1  0        0
  5 14  1  0        0
M  END
>  <Formula> (647)
C10H14N2O4S

>  <Compd ID> (647)
BB-05-213

>  <Brand> (647)
DDP

>  <Mol_Weight> (647)
258.294

>  <Exact_Mass> (647)
258.067

>  <Chemical_Name> (647)
2-(2-(benzylsulfonyl)-1-methylhydrazinyl)acetic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   24.5858  -21.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5858  -22.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2669  -23.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2237  -19.8868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5455  -20.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5455  -22.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9939  -22.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8891  -21.4114    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.9939  -20.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4646  -18.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4455  -17.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9543  -18.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2669  -25.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5858  -25.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9048  -25.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9048  -23.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9048  -20.6483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.1433  -19.3294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6663  -21.9673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  2  0        0
 17 19  2  0        0
 17  4  1  0        0
  1 17  1  0        0
  2  1  1  0        0
  2  3  2  0        0
  5  4  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  1  0        0
  9  5  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 10 12  1  0        0
  3 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16  2  1  0        0
M  END
>  <Formula> (648)
C12H11NO4S2

>  <Compd ID> (648)
BB-05-214

>  <Brand> (648)
DDP

>  <Mol_Weight> (648)
297.35

>  <Exact_Mass> (648)
297.013

>  <Chemical_Name> (648)
3-(phenylmethylsulfonamido)thiophene-2-carboxylic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   24.5858  -21.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5858  -22.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2669  -23.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2237  -19.8868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5455  -20.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5455  -22.1729    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.9939  -22.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8891  -21.4114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9939  -20.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4646  -18.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4455  -17.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9543  -18.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2669  -25.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5858  -25.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9048  -25.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9048  -23.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9048  -20.6483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.1433  -19.3294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6663  -21.9673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 18  2  0        0
 17 19  2  0        0
 17  4  1  0        0
  1 17  1  0        0
  2  1  1  0        0
  2  3  2  0        0
  5  4  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  5  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 10 12  1  0        0
  3 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16  2  1  0        0
M  END
>  <Formula> (649)
C12H11NO4S2

>  <Compd ID> (649)
BB-05-215

>  <Brand> (649)
DDP

>  <Mol_Weight> (649)
297.35

>  <Exact_Mass> (649)
297.013

>  <Chemical_Name> (649)
2-(phenylmethylsulfonamido)thiophene-3-carboxylic acid

$$$$

csCF1200/ 02271116062D

 13 12  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0        0
  8  9  1  0        0
  8 10  1  0        0
  8 11  1  0        0
 12 13  2  0        0
  7 12  1  0        0
 12  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
M  END
>  <Formula> (650)
C9H19NO3

>  <Compd ID> (650)
BB-06-001

>  <Brand> (650)
DDP

>  <Mol_Weight> (650)
189.252

>  <Exact_Mass> (650)
189.136

>  <Chemical_Name> (650)
(R)-tert-butyl (3-hydroxy-2-methylpropyl)carbamate

$$$$

csCF1200/ 02271116062D

 15 14  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1419  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0        0
 10 11  1  0        0
 10 12  1  0        0
 10 13  1  0        0
 14 15  2  0        0
  9 14  1  0        0
 14  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  6  8  1  0        0
M  END
>  <Formula> (651)
C11H23NO3

>  <Compd ID> (651)
BB-06-002

>  <Brand> (651)
DDP

>  <Mol_Weight> (651)
217.305

>  <Exact_Mass> (651)
217.168

>  <Chemical_Name> (651)
(R)-tert-butyl (2-(hydroxymethyl)-3-methylbutyl)carbamate

$$$$

csCF1200/ 02271116062D

 16 15  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0        0
 11 12  1  0        0
 11 13  1  0        0
 11 14  1  0        0
 15 16  2  0        0
 10 15  1  0        0
 15  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  7  9  1  0        0
M  END
>  <Formula> (652)
C12H25NO3

>  <Compd ID> (652)
BB-06-003

>  <Brand> (652)
DDP

>  <Mol_Weight> (652)
231.332

>  <Exact_Mass> (652)
231.183

>  <Chemical_Name> (652)
(R)-tert-butyl (2-(hydroxymethyl)-4-methylpentyl)carbamate

$$$$

csCF1200/ 02271116062D

 21 21  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -27.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -24.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  1  0        0
 16 17  1  0        0
 16 18  1  0        0
 16 19  1  0        0
 20 21  2  0        0
 15 20  1  0        0
 20  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  9  1  0        0
M  END
>  <Formula> (653)
C16H25NO4

>  <Compd ID> (653)
BB-06-006

>  <Brand> (653)
DDP

>  <Mol_Weight> (653)
295.374

>  <Exact_Mass> (653)
295.178

>  <Chemical_Name> (653)
(R)-tert-butyl (3-(benzyloxy)-2-(hydroxymethyl)propyl)carbamate

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
  7 12  1  0        0
 11 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  2  0        0
 15  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
M  END
>  <Formula> (654)
C12H17NO3

>  <Compd ID> (654)
BB-06-009

>  <Brand> (654)
DDP

>  <Mol_Weight> (654)
223.268

>  <Exact_Mass> (654)
223.121

>  <Chemical_Name> (654)
(R)-benzyl (3-hydroxy-2-methylpropyl)carbamate

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1419  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
  9 14  1  0        0
 13 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  2  0        0
 17  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  6  8  1  0        0
M  END
>  <Formula> (655)
C14H21NO3

>  <Compd ID> (655)
BB-06-010

>  <Brand> (655)
DDP

>  <Mol_Weight> (655)
251.321

>  <Exact_Mass> (655)
251.152

>  <Chemical_Name> (655)
(R)-benzyl (2-(hydroxymethyl)-3-methylbutyl)carbamate

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 10 15  1  0        0
 14 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  2  0        0
 18  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  7  9  1  0        0
M  END
>  <Formula> (656)
C15H23NO3

>  <Compd ID> (656)
BB-06-011

>  <Brand> (656)
DDP

>  <Mol_Weight> (656)
265.348

>  <Exact_Mass> (656)
265.168

>  <Chemical_Name> (656)
(R)-benzyl (2-(hydroxymethyl)-4-methylpentyl)carbamate

$$$$

csCF1200/ 02271116062D

 24 25  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -27.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -24.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 15 20  1  0        0
 19 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 24  2  0        0
 23  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  9  1  0        0
M  END
>  <Formula> (657)
C19H23NO4

>  <Compd ID> (657)
BB-06-014

>  <Brand> (657)
DDP

>  <Mol_Weight> (657)
329.39

>  <Exact_Mass> (657)
329.163

>  <Chemical_Name> (657)
(R)-benzyl (3-(benzyloxy)-2-(hydroxymethyl)propyl)carbamate

$$$$

csCF1200/ 02271116062D

 23 25  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  1  0        0
  7 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
  7 15  1  0        0
  8 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
  9 19  1  0        0
 10 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  2  0        0
 22  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
M  END
>  <Formula> (658)
C19H21NO3

>  <Compd ID> (658)
BB-06-017

>  <Brand> (658)
DDP

>  <Mol_Weight> (658)
311.375

>  <Exact_Mass> (658)
311.152

>  <Chemical_Name> (658)
(R)-(9H-fluoren-9-yl)methyl (3-hydroxy-2-methylpropyl)carbamate

$$$$

csCF1200/ 02271116062D

 25 27  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1419  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  1  0        0
  9 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
  9 17  1  0        0
 10 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 11 21  1  0        0
 12 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 25  2  0        0
 24  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  6  8  1  0        0
M  END
>  <Formula> (659)
C21H25NO3

>  <Compd ID> (659)
BB-06-018

>  <Brand> (659)
DDP

>  <Mol_Weight> (659)
339.428

>  <Exact_Mass> (659)
339.183

>  <Chemical_Name> (659)
(R)-(9H-fluoren-9-yl)methyl (2-(hydroxymethyl)-3-methylbutyl)carbamate

$$$$

csCF1200/ 02271116062D

 26 28  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 10 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 10 18  1  0        0
 11 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 12 22  1  0        0
 13 23  1  0        0
 23 24  1  0        0
 24 25  1  0        0
 25 26  2  0        0
 25  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  7  9  1  0        0
M  END
>  <Formula> (660)
C22H27NO3

>  <Compd ID> (660)
BB-06-019

>  <Brand> (660)
DDP

>  <Mol_Weight> (660)
353.455

>  <Exact_Mass> (660)
353.199

>  <Chemical_Name> (660)
(R)-(9H-fluoren-9-yl)methyl (2-(hydroxymethyl)-4-methylpentyl)carbamate

$$$$

csCF1200/ 02271116062D

 31 34  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -27.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -24.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  1  0        0
 15 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 22  1  0        0
 22 23  2  0        0
 15 23  1  0        0
 16 24  1  0        0
 24 25  2  0        0
 25 26  1  0        0
 26 27  2  0        0
 17 27  1  0        0
 18 28  1  0        0
 28 29  1  0        0
 29 30  1  0        0
 30 31  2  0        0
 30  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  9  1  0        0
M  END
>  <Formula> (661)
C26H27NO4

>  <Compd ID> (661)
BB-06-022

>  <Brand> (661)
DDP

>  <Mol_Weight> (661)
417.497

>  <Exact_Mass> (661)
417.194

>  <Chemical_Name> (661)
(R)-(9H-fluoren-9-yl)methyl (3-(benzyloxy)-2-(hydroxymethyl)propyl)carbamate

$$$$

csCF1200/ 02271116062D

 24 23  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -24.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -25.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -26.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  0        0
 12 13  1  0        0
 12 14  1  0        0
 12 15  1  0        0
 16 17  2  0        0
 11 16  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 19 21  1  0        0
 19 22  1  0        0
 23 24  2  0        0
 18 23  1  0        0
 16  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 23  1  0        0
M  END
>  <Formula> (662)
C17H34N2O5

>  <Compd ID> (662)
BB-06-081

>  <Brand> (662)
DDP

>  <Mol_Weight> (662)
346.462

>  <Exact_Mass> (662)
346.247

>  <Chemical_Name> (662)
(R)-di-tert-butyl (2-(hydroxymethyl)hexane-1,6-diyl)dicarbamate

$$$$

csCF1200/ 02271116062D

 20 19  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -23.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0        0
 15 16  1  0        0
 15 17  1  0        0
 15 18  1  0        0
 19 20  2  0        0
 14 19  1  0        0
 19  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  2  0        0
  9 12  1  0        0
  9 13  1  0        0
M  END
>  <Formula> (663)
C14H27NO5

>  <Compd ID> (663)
BB-06-082

>  <Brand> (663)
DDP

>  <Mol_Weight> (663)
289.368

>  <Exact_Mass> (663)
289.189

>  <Chemical_Name> (663)
(R)-tert-butyl 4-((tert-butoxycarbonyl)amino)-3-(hydroxymethyl)butanoate

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
 18 19  2  0        0
 13 18  1  0        0
 18  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
M  END
>  <Formula> (664)
C15H23NO3

>  <Compd ID> (664)
BB-06-086

>  <Brand> (664)
DDP

>  <Mol_Weight> (664)
265.348

>  <Exact_Mass> (664)
265.168

>  <Chemical_Name> (664)
(R)-tert-butyl (2-benzyl-3-hydroxypropyl)carbamate

$$$$

csCF1200/ 02271116062D

 24 24  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7311  -25.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -24.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3662  -25.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -22.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3690  -23.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0        0
 19 20  1  0        0
 19 21  1  0        0
 19 22  1  0        0
 23 24  2  0        0
 18 23  1  0        0
 23  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
M  END
>  <Formula> (665)
C19H31NO4

>  <Compd ID> (665)
BB-06-087

>  <Brand> (665)
DDP

>  <Mol_Weight> (665)
337.454

>  <Exact_Mass> (665)
337.225

>  <Chemical_Name> (665)
(R)-tert-butyl (2-(4-(tert-butoxy)benzyl)-3-hydroxypropyl)carbamate

$$$$

csCF1200/ 02271116062D

 27 27  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -24.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -25.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -26.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 11 16  1  0        0
 15 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  2  0        0
 21 22  1  0        0
 22 23  1  0        0
 22 24  1  0        0
 22 25  1  0        0
 26 27  2  0        0
 21 26  1  0        0
 19  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 26  1  0        0
M  END
>  <Formula> (666)
C20H32N2O5

>  <Compd ID> (666)
BB-06-089

>  <Brand> (666)
DDP

>  <Mol_Weight> (666)
380.478

>  <Exact_Mass> (666)
380.231

>  <Chemical_Name> (666)
(R)-benzyl tert-butyl (2-(hydroxymethyl)hexane-1,6-diyl)dicarbamate

$$$$

csCF1200/ 02271116062D

 23 23  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -23.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 14 19  1  0        0
 18 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  2  0        0
 22  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  2  0        0
  9 12  1  0        0
  9 13  1  0        0
M  END
>  <Formula> (667)
C17H25NO5

>  <Compd ID> (667)
BB-06-090

>  <Brand> (667)
DDP

>  <Mol_Weight> (667)
323.384

>  <Exact_Mass> (667)
323.173

>  <Chemical_Name> (667)
(R)-tert-butyl 4-(((benzyloxy)carbonyl)amino)-3-(hydroxymethyl)butanoate

$$$$

csCF1200/ 02271116062D

 22 23  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 13 18  1  0        0
 17 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  2  0        0
 21  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
M  END
>  <Formula> (668)
C18H21NO3

>  <Compd ID> (668)
BB-06-094

>  <Brand> (668)
DDP

>  <Mol_Weight> (668)
299.364

>  <Exact_Mass> (668)
299.152

>  <Chemical_Name> (668)
(R)-benzyl (2-benzyl-3-hydroxypropyl)carbamate

$$$$

csCF1200/ 02271116062D

 27 28  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7311  -25.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -24.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3662  -25.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -22.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3690  -23.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 22  1  0        0
 22 23  2  0        0
 18 23  1  0        0
 22 24  1  0        0
 24 25  1  0        0
 25 26  1  0        0
 26 27  2  0        0
 26  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
M  END
>  <Formula> (669)
C22H29NO4

>  <Compd ID> (669)
BB-06-095

>  <Brand> (669)
DDP

>  <Mol_Weight> (669)
371.47

>  <Exact_Mass> (669)
371.21

>  <Chemical_Name> (669)
(R)-benzyl (2-(4-(tert-butoxy)benzyl)-3-hydroxypropyl)carbamate

$$$$

csCF1200/ 02271116062D

 34 36  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -24.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -25.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -26.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 11 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 11 19  1  0        0
 12 20  1  0        0
 20 21  2  0        0
 21 22  1  0        0
 22 23  2  0        0
 13 23  1  0        0
 14 24  1  0        0
 24 25  1  0        0
 25 26  1  0        0
 26 27  2  0        0
 28 29  1  0        0
 29 30  1  0        0
 29 31  1  0        0
 29 32  1  0        0
 33 34  2  0        0
 28 33  1  0        0
 26  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 33  1  0        0
M  END
>  <Formula> (670)
C27H36N2O5

>  <Compd ID> (670)
BB-06-097

>  <Brand> (670)
DDP

>  <Mol_Weight> (670)
468.585

>  <Exact_Mass> (670)
468.262

>  <Chemical_Name> (670)
(R)-(9H-fluoren-9-yl)methyl tert-butyl (2-(hydroxymethyl)hexane-1,6-diyl)dicarbamate

$$$$

csCF1200/ 02271116062D

 30 32  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -23.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  1  0        0
 14 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 14 22  1  0        0
 15 23  1  0        0
 23 24  2  0        0
 24 25  1  0        0
 25 26  2  0        0
 16 26  1  0        0
 17 27  1  0        0
 27 28  1  0        0
 28 29  1  0        0
 29 30  2  0        0
 29  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  2  0        0
  9 12  1  0        0
  9 13  1  0        0
M  END
>  <Formula> (671)
C24H29NO5

>  <Compd ID> (671)
BB-06-098

>  <Brand> (671)
DDP

>  <Mol_Weight> (671)
411.491

>  <Exact_Mass> (671)
411.205

>  <Chemical_Name> (671)
(R)-tert-butyl 4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(hydroxymethyl)butanoate

$$$$

csCF1200/ 02271116062D

 29 32  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  1  0        0
 13 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 13 21  1  0        0
 14 22  1  0        0
 22 23  2  0        0
 23 24  1  0        0
 24 25  2  0        0
 15 25  1  0        0
 16 26  1  0        0
 26 27  1  0        0
 27 28  1  0        0
 28 29  2  0        0
 28  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
M  END
>  <Formula> (672)
C25H25NO3

>  <Compd ID> (672)
BB-06-102

>  <Brand> (672)
DDP

>  <Mol_Weight> (672)
387.471

>  <Exact_Mass> (672)
387.183

>  <Chemical_Name> (672)
(R)-(9H-fluoren-9-yl)methyl (2-benzyl-3-hydroxypropyl)carbamate

$$$$

csCF1200/ 02271116062D

 34 37  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7311  -25.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -24.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3662  -25.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -22.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3690  -23.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  1  0        0
 18 22  2  0        0
 22 23  1  0        0
 23 24  2  0        0
 24 25  1  0        0
 25 26  2  0        0
 18 26  1  0        0
 19 27  1  0        0
 27 28  2  0        0
 28 29  1  0        0
 29 30  2  0        0
 20 30  1  0        0
 21 31  1  0        0
 31 32  1  0        0
 32 33  1  0        0
 33 34  2  0        0
 33  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
M  END
>  <Formula> (673)
C29H33NO4

>  <Compd ID> (673)
BB-06-103

>  <Brand> (673)
DDP

>  <Mol_Weight> (673)
459.577

>  <Exact_Mass> (673)
459.241

>  <Chemical_Name> (673)
(R)-(9H-fluoren-9-yl)methyl (2-(4-(tert-butoxy)benzyl)-3-hydroxypropyl)carbamate

$$$$

csCF1200/ 02271116062D

 14 13  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0        0
  9 10  1  0        0
  9 11  1  0        0
  9 12  1  0        0
 13 14  2  0        0
  8 13  1  0        0
 13  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  4  7  2  0        0
M  END
>  <Formula> (674)
C9H17NO4

>  <Compd ID> (674)
BB-07-001

>  <Brand> (674)
DDP

>  <Mol_Weight> (674)
203.236

>  <Exact_Mass> (674)
203.116

>  <Chemical_Name> (674)
(R)-3-((tert-butoxycarbonyl)amino)-2-methylpropanoic acid

$$$$

csCF1200/ 02271116062D

 16 15  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1419  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0        0
 11 12  1  0        0
 11 13  1  0        0
 11 14  1  0        0
 15 16  2  0        0
 10 15  1  0        0
 15  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  6  8  1  0        0
  4  9  2  0        0
M  END
>  <Formula> (675)
C11H21NO4

>  <Compd ID> (675)
BB-07-002

>  <Brand> (675)
DDP

>  <Mol_Weight> (675)
231.289

>  <Exact_Mass> (675)
231.147

>  <Chemical_Name> (675)
(R)-2-(((tert-butoxycarbonyl)amino)methyl)-3-methylbutanoic acid

$$$$

csCF1200/ 02271116062D

 17 16  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  0        0
 12 13  1  0        0
 12 14  1  0        0
 12 15  1  0        0
 16 17  2  0        0
 11 16  1  0        0
 16  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  7  9  1  0        0
  4 10  2  0        0
M  END
>  <Formula> (676)
C12H23NO4

>  <Compd ID> (676)
BB-07-003

>  <Brand> (676)
DDP

>  <Mol_Weight> (676)
245.315

>  <Exact_Mass> (676)
245.163

>  <Chemical_Name> (676)
(R)-2-(((tert-butoxycarbonyl)amino)methyl)-4-methylpentanoic acid

$$$$

csCF1200/ 02271116062D

 22 22  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -27.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -24.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  1  0        0
 17 19  1  0        0
 17 20  1  0        0
 21 22  2  0        0
 16 21  1  0        0
 21  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  9  1  0        0
  4 15  2  0        0
M  END
>  <Formula> (677)
C16H23NO5

>  <Compd ID> (677)
BB-07-006

>  <Brand> (677)
DDP

>  <Mol_Weight> (677)
309.358

>  <Exact_Mass> (677)
309.158

>  <Chemical_Name> (677)
(S)-3-(benzyloxy)-2-(((tert-butoxycarbonyl)amino)methyl)propanoic acid

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
  8 13  1  0        0
 12 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  2  0        0
 16  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  4  7  2  0        0
M  END
>  <Formula> (678)
C12H15NO4

>  <Compd ID> (678)
BB-07-009

>  <Brand> (678)
DDP

>  <Mol_Weight> (678)
237.252

>  <Exact_Mass> (678)
237.1

>  <Chemical_Name> (678)
(R)-3-(((benzyloxy)carbonyl)amino)-2-methylpropanoic acid

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1419  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 10 15  1  0        0
 14 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  2  0        0
 18  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  6  8  1  0        0
  4  9  2  0        0
M  END
>  <Formula> (679)
C14H19NO4

>  <Compd ID> (679)
BB-07-010

>  <Brand> (679)
DDP

>  <Mol_Weight> (679)
265.305

>  <Exact_Mass> (679)
265.131

>  <Chemical_Name> (679)
(R)-2-((((benzyloxy)carbonyl)amino)methyl)-3-methylbutanoic acid

$$$$

csCF1200/ 02271116062D

 20 20  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 11 16  1  0        0
 15 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  2  0        0
 19  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  7  9  1  0        0
  4 10  2  0        0
M  END
>  <Formula> (680)
C15H21NO4

>  <Compd ID> (680)
BB-07-011

>  <Brand> (680)
DDP

>  <Mol_Weight> (680)
279.332

>  <Exact_Mass> (680)
279.147

>  <Chemical_Name> (680)
(R)-2-((((benzyloxy)carbonyl)amino)methyl)-4-methylpentanoic acid

$$$$

csCF1200/ 02271116062D

 25 26  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -27.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -24.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 16 21  1  0        0
 20 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 25  2  0        0
 24  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  9  1  0        0
  4 15  2  0        0
M  END
>  <Formula> (681)
C19H21NO5

>  <Compd ID> (681)
BB-07-014

>  <Brand> (681)
DDP

>  <Mol_Weight> (681)
343.374

>  <Exact_Mass> (681)
343.142

>  <Chemical_Name> (681)
(S)-3-(benzyloxy)-2-((((benzyloxy)carbonyl)amino)methyl)propanoic acid

$$$$

csCF1200/ 02271116062D

 24 26  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  1  0        0
  8 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
  8 16  1  0        0
  9 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 10 20  1  0        0
 11 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 24  2  0        0
 23  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  4  7  2  0        0
M  END
>  <Formula> (682)
C19H19NO4

>  <Compd ID> (682)
BB-07-017

>  <Brand> (682)
DDP

>  <Mol_Weight> (682)
325.358

>  <Exact_Mass> (682)
325.131

>  <Chemical_Name> (682)
(R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-methylpropanoic acid

$$$$

csCF1200/ 02271116062D

 26 28  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1419  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  1  0        0
 10 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 10 18  1  0        0
 11 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 12 22  1  0        0
 13 23  1  0        0
 23 24  1  0        0
 24 25  1  0        0
 25 26  2  0        0
 25  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  6  8  1  0        0
  4  9  2  0        0
M  END
>  <Formula> (683)
C21H23NO4

>  <Compd ID> (683)
BB-07-018

>  <Brand> (683)
DDP

>  <Mol_Weight> (683)
353.412

>  <Exact_Mass> (683)
353.163

>  <Chemical_Name> (683)
(R)-2-(((((9H-fluoren-9-yl)methoxy)carbonyl)amino)methyl)-3-methylbutanoic acid

$$$$

csCF1200/ 02271116062D

 27 29  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  1  0        0
 11 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 11 19  1  0        0
 12 20  1  0        0
 20 21  2  0        0
 21 22  1  0        0
 22 23  2  0        0
 13 23  1  0        0
 14 24  1  0        0
 24 25  1  0        0
 25 26  1  0        0
 26 27  2  0        0
 26  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  7  9  1  0        0
  4 10  2  0        0
M  END
>  <Formula> (684)
C22H25NO4

>  <Compd ID> (684)
BB-07-019

>  <Brand> (684)
DDP

>  <Mol_Weight> (684)
367.438

>  <Exact_Mass> (684)
367.178

>  <Chemical_Name> (684)
(R)-2-(((((9H-fluoren-9-yl)methoxy)carbonyl)amino)methyl)-4-methylpentanoic acid

$$$$

csCF1200/ 02271116062D

 32 35  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -27.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -24.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  1  0        0
 16 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 23  1  0        0
 23 24  2  0        0
 16 24  1  0        0
 17 25  1  0        0
 25 26  2  0        0
 26 27  1  0        0
 27 28  2  0        0
 18 28  1  0        0
 19 29  1  0        0
 29 30  1  0        0
 30 31  1  0        0
 31 32  2  0        0
 31  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  9  1  0        0
  4 15  2  0        0
M  END
>  <Formula> (685)
C26H25NO5

>  <Compd ID> (685)
BB-07-022

>  <Brand> (685)
DDP

>  <Mol_Weight> (685)
431.48

>  <Exact_Mass> (685)
431.173

>  <Chemical_Name> (685)
(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-((benzyloxy)methyl)propanoic acid

$$$$

csCF1200/ 02271116062D

 25 24  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -24.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -25.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -26.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0        0
 13 14  1  0        0
 13 15  1  0        0
 13 16  1  0        0
 17 18  2  0        0
 12 17  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
 17  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 24  1  0        0
  4 11  2  0        0
M  END
>  <Formula> (686)
C17H32N2O6

>  <Compd ID> (686)
BB-07-081

>  <Brand> (686)
DDP

>  <Mol_Weight> (686)
360.446

>  <Exact_Mass> (686)
360.226

>  <Chemical_Name> (686)
(R)-6-((tert-butoxycarbonyl)amino)-2-(((tert-butoxycarbonyl)amino)methyl)hexanoic acid

$$$$

csCF1200/ 02271116062D

 21 20  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -23.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  1  0        0
 16 17  1  0        0
 16 18  1  0        0
 16 19  1  0        0
 20 21  2  0        0
 15 20  1  0        0
 20  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  2  0        0
  9 12  1  0        0
  9 13  1  0        0
  4 14  2  0        0
M  END
>  <Formula> (687)
C14H25NO6

>  <Compd ID> (687)
BB-07-082

>  <Brand> (687)
DDP

>  <Mol_Weight> (687)
303.351

>  <Exact_Mass> (687)
303.168

>  <Chemical_Name> (687)
(R)-4-(tert-butoxy)-2-(((tert-butoxycarbonyl)amino)methyl)-4-oxobutanoic acid

$$$$

csCF1200/ 02271116062D

 20 20  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0        0
 15 16  1  0        0
 15 17  1  0        0
 15 18  1  0        0
 19 20  2  0        0
 14 19  1  0        0
 19  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
  4 13  2  0        0
M  END
>  <Formula> (688)
C15H21NO4

>  <Compd ID> (688)
BB-07-086

>  <Brand> (688)
DDP

>  <Mol_Weight> (688)
279.332

>  <Exact_Mass> (688)
279.147

>  <Chemical_Name> (688)
(R)-2-benzyl-3-((tert-butoxycarbonyl)amino)propanoic acid

$$$$

csCF1200/ 02271116062D

 25 25  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7311  -25.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -24.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3662  -25.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -22.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3690  -23.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -16.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -18.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
 24 25  2  0        0
 19 24  1  0        0
 24  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
  4 18  2  0        0
M  END
>  <Formula> (689)
C19H29NO5

>  <Compd ID> (689)
BB-07-087

>  <Brand> (689)
DDP

>  <Mol_Weight> (689)
351.437

>  <Exact_Mass> (689)
351.205

>  <Chemical_Name> (689)
(R)-2-(4-(tert-butoxy)benzyl)-3-((tert-butoxycarbonyl)amino)propanoic acid

$$$$

csCF1200/ 02271116062D

 28 28  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -24.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -25.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -26.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 12 17  1  0        0
 16 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  2  0        0
 22 23  1  0        0
 23 24  1  0        0
 23 25  1  0        0
 23 26  1  0        0
 27 28  2  0        0
 22 27  1  0        0
 20  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 27  1  0        0
  4 11  2  0        0
M  END
>  <Formula> (690)
C20H30N2O6

>  <Compd ID> (690)
BB-07-089

>  <Brand> (690)
DDP

>  <Mol_Weight> (690)
394.462

>  <Exact_Mass> (690)
394.21

>  <Chemical_Name> (690)
(R)-2-((((benzyloxy)carbonyl)amino)methyl)-6-((tert-butoxycarbonyl)amino)hexanoic acid

$$$$

csCF1200/ 02271116062D

 24 24  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -23.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 15 20  1  0        0
 19 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 24  2  0        0
 23  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  2  0        0
  9 12  1  0        0
  9 13  1  0        0
  4 14  2  0        0
M  END
>  <Formula> (691)
C17H23NO6

>  <Compd ID> (691)
BB-07-090

>  <Brand> (691)
DDP

>  <Mol_Weight> (691)
337.368

>  <Exact_Mass> (691)
337.153

>  <Chemical_Name> (691)
(R)-2-((((benzyloxy)carbonyl)amino)methyl)-4-(tert-butoxy)-4-oxobutanoic acid

$$$$

csCF1200/ 02271116062D

 23 24  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 14 19  1  0        0
 18 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  2  0        0
 22  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
  4 13  2  0        0
M  END
>  <Formula> (692)
C18H19NO4

>  <Compd ID> (692)
BB-07-094

>  <Brand> (692)
DDP

>  <Mol_Weight> (692)
313.348

>  <Exact_Mass> (692)
313.131

>  <Chemical_Name> (692)
(R)-2-benzyl-3-(((benzyloxy)carbonyl)amino)propanoic acid

$$$$

csCF1200/ 02271116062D

 28 29  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7311  -25.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -24.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3662  -25.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -22.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3690  -23.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -13.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -13.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -16.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -15.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -17.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 22 23  1  0        0
 23 24  2  0        0
 19 24  1  0        0
 23 25  1  0        0
 25 26  1  0        0
 26 27  1  0        0
 27 28  2  0        0
 27  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
  4 18  2  0        0
M  END
>  <Formula> (693)
C22H27NO5

>  <Compd ID> (693)
BB-07-095

>  <Brand> (693)
DDP

>  <Mol_Weight> (693)
385.453

>  <Exact_Mass> (693)
385.189

>  <Chemical_Name> (693)
(R)-3-(((benzyloxy)carbonyl)amino)-2-(4-(tert-butoxy)benzyl)propanoic acid

$$$$

csCF1200/ 02271116062D

 35 37  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -24.4232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -25.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6907  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -26.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  1  0        0
 12 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 12 20  1  0        0
 13 21  1  0        0
 21 22  2  0        0
 22 23  1  0        0
 23 24  2  0        0
 14 24  1  0        0
 15 25  1  0        0
 25 26  1  0        0
 26 27  1  0        0
 27 28  2  0        0
 29 30  1  0        0
 30 31  1  0        0
 30 32  1  0        0
 30 33  1  0        0
 34 35  2  0        0
 29 34  1  0        0
 27  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 34  1  0        0
  4 11  2  0        0
M  END
>  <Formula> (694)
C27H34N2O6

>  <Compd ID> (694)
BB-07-097

>  <Brand> (694)
DDP

>  <Mol_Weight> (694)
482.569

>  <Exact_Mass> (694)
482.242

>  <Chemical_Name> (694)
(R)-2-(((((9H-fluoren-9-yl)methoxy)carbonyl)amino)methyl)-6-((tert-butoxycarbonyl)amino)hexanoic acid

$$$$

csCF1200/ 02271116062D

 31 33  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -23.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  1  0        0
 15 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 22  1  0        0
 22 23  2  0        0
 15 23  1  0        0
 16 24  1  0        0
 24 25  2  0        0
 25 26  1  0        0
 26 27  2  0        0
 17 27  1  0        0
 18 28  1  0        0
 28 29  1  0        0
 29 30  1  0        0
 30 31  2  0        0
 30  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  2  0        0
  9 12  1  0        0
  9 13  1  0        0
  4 14  2  0        0
M  END
>  <Formula> (695)
C24H27NO6

>  <Compd ID> (695)
BB-07-098

>  <Brand> (695)
DDP

>  <Mol_Weight> (695)
425.474

>  <Exact_Mass> (695)
425.184

>  <Chemical_Name> (695)
(R)-2-(((((9H-fluoren-9-yl)methoxy)carbonyl)amino)methyl)-4-(tert-butoxy)-4-oxobutanoic acid

$$$$

csCF1200/ 02271116062D

 30 33  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  1  0        0
 14 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 14 22  1  0        0
 15 23  1  0        0
 23 24  2  0        0
 24 25  1  0        0
 25 26  2  0        0
 16 26  1  0        0
 17 27  1  0        0
 27 28  1  0        0
 28 29  1  0        0
 29 30  2  0        0
 29  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
  4 13  2  0        0
M  END
>  <Formula> (696)
C25H23NO4

>  <Compd ID> (696)
BB-07-102

>  <Brand> (696)
DDP

>  <Mol_Weight> (696)
401.454

>  <Exact_Mass> (696)
401.163

>  <Chemical_Name> (696)
(R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-benzylpropanoic acid

$$$$

csCF1200/ 02271116062D

 35 38  0  0  0  0  0  0  0  0999 V2000
   28.8201  -20.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -25.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -24.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7311  -25.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -24.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3662  -25.1815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0500  -22.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3690  -23.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8954  -22.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -21.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1530  -19.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5443  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3851  -22.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4042  -23.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9335  -24.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -25.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4247  -23.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6441  -20.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1735  -19.3662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1926  -18.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6823  -18.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -18.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0        0
 20 21  2  0        0
 21 22  1  0        0
 22 23  1  0        0
 19 23  2  0        0
 23 24  1  0        0
 24 25  2  0        0
 25 26  1  0        0
 26 27  2  0        0
 19 27  1  0        0
 20 28  1  0        0
 28 29  2  0        0
 29 30  1  0        0
 30 31  2  0        0
 21 31  1  0        0
 22 32  1  0        0
 32 33  1  0        0
 33 34  1  0        0
 34 35  2  0        0
 34  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  3  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
  4 18  2  0        0
M  END
>  <Formula> (697)
C29H31NO5

>  <Compd ID> (697)
BB-07-103

>  <Brand> (697)
DDP

>  <Mol_Weight> (697)
473.56

>  <Exact_Mass> (697)
473.22

>  <Chemical_Name> (697)
(R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-(4-(tert-butoxy)benzyl)propanoic acid

$$$$

csCF1200/ 02271116062D

  7  6  0  0  0  0  0  0  0  0999 V2000
   28.4303  -20.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7492  -21.3491    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   31.0682  -20.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3871  -21.3491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7492  -22.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0682  -19.0678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7033  -20.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  3  6  2  0        0
  4  7  1  0        0
M  END
>  <Formula> (698)
C4H8O3

>  <Compd ID> (698)
BB-08-001

>  <Brand> (698)
DDP

>  <Mol_Weight> (698)
104.105

>  <Exact_Mass> (698)
104.047

>  <Chemical_Name> (698)
(S)-methyl 2-hydroxypropanoate

$$$$

csCF1200/ 02271116062D

  9  8  0  0  0  0  0  0  0  0999 V2000
   28.4904  -20.2162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8122  -20.9793    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   31.1339  -20.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4557  -20.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8122  -22.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1311  -23.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4932  -23.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1339  -18.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7746  -20.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  5  7  1  0        0
  3  8  2  0        0
  4  9  1  0        0
M  END
>  <Formula> (699)
C6H12O3

>  <Compd ID> (699)
BB-08-002

>  <Brand> (699)
DDP

>  <Mol_Weight> (699)
132.158

>  <Exact_Mass> (699)
132.079

>  <Chemical_Name> (699)
(S)-methyl 2-hydroxy-3-methylbutanoate

$$$$

csCF1200/ 02271116062D

 10  9  0  0  0  0  0  0  0  0999 V2000
   28.4904  -19.4889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8122  -20.2520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   31.1339  -19.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4557  -20.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8122  -21.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1311  -22.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4501  -21.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1311  -24.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1339  -17.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7746  -19.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  6  8  1  0        0
  3  9  2  0        0
  4 10  1  0        0
M  END
>  <Formula> (700)
C7H14O3

>  <Compd ID> (700)
BB-08-003

>  <Brand> (700)
DDP

>  <Mol_Weight> (700)
146.184

>  <Exact_Mass> (700)
146.094

>  <Chemical_Name> (700)
(S)-methyl 2-hydroxy-4-methylpentanoate

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   27.7525  -17.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0715  -18.6416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.3904  -17.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7094  -18.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0715  -20.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3876  -20.9212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3876  -22.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7038  -23.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7038  -24.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0228  -25.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3417  -24.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3417  -23.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0228  -22.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3904  -16.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0255  -17.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
  3 14  2  0        0
  4 15  1  0        0
M  END
>  <Formula> (701)
C11H14O4

>  <Compd ID> (701)
BB-08-006

>  <Brand> (701)
DDP

>  <Mol_Weight> (701)
210.226

>  <Exact_Mass> (701)
210.089

>  <Chemical_Name> (701)
(S)-methyl 3-(benzyloxy)-2-hydroxypropanoate

$$$$

csCF1200/ 02271116062D

 18 17  0  0  0  0  0  0  0  0999 V2000
   27.9531  -21.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2720  -21.8187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.5910  -21.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9100  -21.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5910  -19.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.2720  -23.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5910  -24.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9100  -23.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2289  -24.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5479  -23.3413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.2285  -21.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8665  -25.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.1850  -26.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5036  -27.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5036  -25.6251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1850  -27.9090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8665  -24.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1850  -23.3413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0        0
 13 14  1  0        0
 13 15  1  0        0
 13 16  1  0        0
 17 18  2  0        0
 12 17  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  3  5  2  0        0
  2  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 17  1  0        0
  4 11  1  0        0
M  END
>  <Formula> (702)
C12H23NO5

>  <Compd ID> (702)
BB-08-081

>  <Brand> (702)
DDP

>  <Mol_Weight> (702)
261.315

>  <Exact_Mass> (702)
261.158

>  <Chemical_Name> (702)
(S)-methyl 6-((tert-butoxycarbonyl)amino)-2-hydroxyhexanoate

$$$$

csCF1200/ 02271116062D

 14 13  0  0  0  0  0  0  0  0999 V2000
   29.3490  -20.2959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6679  -21.0574    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   31.9869  -20.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3059  -21.0574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9869  -18.7733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6679  -22.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9869  -23.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3059  -22.5800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6248  -23.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9438  -22.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9869  -24.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6248  -24.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9438  -24.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6245  -20.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  3  5  2  0        0
  2  6  1  6        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  7 11  2  0        0
  9 12  1  0        0
  9 13  1  0        0
  4 14  1  0        0
M  END
>  <Formula> (703)
C9H16O5

>  <Compd ID> (703)
BB-08-082

>  <Brand> (703)
DDP

>  <Mol_Weight> (703)
204.22

>  <Exact_Mass> (703)
204.1

>  <Chemical_Name> (703)
(S)-4-tert-butyl 1-methyl 2-hydroxysuccinate

$$$$

csCF1200/ 02271116062D

 13 13  0  0  0  0  0  0  0  0999 V2000
   29.9878  -20.0705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3067  -20.8320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6257  -20.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9446  -20.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6257  -18.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3067  -22.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6257  -23.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6257  -24.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9446  -25.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2636  -24.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2636  -23.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9446  -22.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2632  -20.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  3  5  2  0        0
  2  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
  4 13  1  0        0
M  END
>  <Formula> (704)
C10H12O3

>  <Compd ID> (704)
BB-08-086

>  <Brand> (704)
DDP

>  <Mol_Weight> (704)
180.2

>  <Exact_Mass> (704)
180.079

>  <Chemical_Name> (704)
(S)-methyl 2-hydroxy-3-phenylpropanoate

$$$$

csCF1200/ 02271116062D

 18 18  0  0  0  0  0  0  0  0999 V2000
   28.0304  -19.9151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.3494  -20.6765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.6683  -19.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9873  -20.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6683  -18.3925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.3494  -22.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6683  -22.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6683  -24.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9873  -25.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3062  -24.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3062  -22.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9873  -22.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6248  -25.2449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.9434  -24.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2620  -25.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9434  -22.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2624  -23.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3059  -19.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  3  5  2  0        0
  2  6  1  6        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
 10 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 14 16  1  0        0
 14 17  1  0        0
  4 18  1  0        0
M  END
>  <Formula> (705)
C14H20O4

>  <Compd ID> (705)
BB-08-087

>  <Brand> (705)
DDP

>  <Mol_Weight> (705)
252.306

>  <Exact_Mass> (705)
252.136

>  <Chemical_Name> (705)
(S)-methyl 3-(4-(tert-butoxy)phenyl)-2-hydroxypropanoate

$$$$

csCF1200/ 02271116062D

 13 13  0  0  0  0  0  0  0  0999 V2000
   31.4552  -20.6173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7742  -19.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0932  -20.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4552  -22.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -18.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1906  -17.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8744  -18.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8744  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1906  -20.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5067  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5067  -18.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8229  -20.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6 13  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
  7 12  1  0        0
 11 13  1  0        0
  6  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  1  4  1  6        0
  2  5  2  0        0
M  END
>  <Formula> (706)
C10H12O3

>  <Compd ID> (706)
BB-09-001

>  <Brand> (706)
DDP

>  <Mol_Weight> (706)
180.2

>  <Exact_Mass> (706)
180.079

>  <Chemical_Name> (706)
(S)-2-(benzyloxy)propanoic acid

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   31.5246  -20.6626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.8463  -19.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1681  -20.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5246  -22.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8435  -22.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2056  -22.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8463  -18.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2056  -19.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2488  -17.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9298  -18.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9298  -19.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2488  -20.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5677  -19.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5677  -18.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8867  -20.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8 15  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
  9 14  1  0        0
 13 15  1  0        0
  8  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  1  4  1  6        0
  4  5  1  0        0
  4  6  1  0        0
  2  7  2  0        0
M  END
>  <Formula> (707)
C12H16O3

>  <Compd ID> (707)
BB-09-002

>  <Brand> (707)
DDP

>  <Mol_Weight> (707)
208.254

>  <Exact_Mass> (707)
208.11

>  <Chemical_Name> (707)
(S)-2-(benzyloxy)-3-methylbutanoic acid

$$$$

csCF1200/ 02271116062D

 16 16  0  0  0  0  0  0  0  0999 V2000
   31.5246  -20.6626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.8463  -19.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1681  -20.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5246  -22.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8435  -22.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1625  -22.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8435  -24.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8463  -18.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2056  -19.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2488  -17.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9298  -18.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9298  -19.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2488  -20.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5677  -19.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5677  -18.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8867  -20.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 16  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 10 15  1  0        0
 14 16  1  0        0
  9  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  1  4  1  6        0
  4  5  1  0        0
  5  6  1  0        0
  5  7  1  0        0
  2  8  2  0        0
M  END
>  <Formula> (708)
C13H18O3

>  <Compd ID> (708)
BB-09-003

>  <Brand> (708)
DDP

>  <Mol_Weight> (708)
222.28

>  <Exact_Mass> (708)
222.126

>  <Chemical_Name> (708)
(S)-2-(benzyloxy)-4-methylpentanoic acid

$$$$

csCF1200/ 02271116062D

 21 22  0  0  0  0  0  0  0  0999 V2000
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -27.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -24.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -18.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1419  -19.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1933  -17.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8772  -18.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8772  -19.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1933  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5095  -19.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5095  -18.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8257  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14 21  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 15 20  1  0        0
 19 21  1  0        0
 14  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  1  4  1  6        0
  4  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
  2 13  2  0        0
M  END
>  <Formula> (709)
C17H18O4

>  <Compd ID> (709)
BB-09-006

>  <Brand> (709)
DDP

>  <Mol_Weight> (709)
286.322

>  <Exact_Mass> (709)
286.121

>  <Chemical_Name> (709)
(S)-2,3-bis(benzyloxy)propanoic acid

$$$$

csCF1200/ 02271116062D

 24 24  0  0  0  0  0  0  0  0999 V2000
   31.3781  -22.0141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -22.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -19.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -23.5366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0596  -21.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -18.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7410  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9725  -25.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2911  -26.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6097  -27.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6097  -25.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2911  -28.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9725  -24.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2911  -23.5366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10 17  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 11 16  1  0        0
 15 17  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 19 21  1  0        0
 19 22  1  0        0
 23 24  2  0        0
 18 23  1  0        0
  1 10  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  2  4  2  0        0
  1  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 23  1  0        0
M  END
>  <Formula> (710)
C18H27NO5

>  <Compd ID> (710)
BB-09-081

>  <Brand> (710)
DDP

>  <Mol_Weight> (710)
337.411

>  <Exact_Mass> (710)
337.189

>  <Chemical_Name> (710)
(S)-2-(benzyloxy)-6-((tert-butoxycarbonyl)amino)hexanoic acid

$$$$

csCF1200/ 02271116062D

 20 20  0  0  0  0  0  0  0  0999 V2000
   31.3781  -22.0141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -22.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -19.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -23.5366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -25.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0596  -21.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -18.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7410  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13 20  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 14 19  1  0        0
 18 20  1  0        0
  1 13  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  2  4  2  0        0
  1  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  6 10  2  0        0
  8 11  1  0        0
  8 12  1  0        0
M  END
>  <Formula> (711)
C15H20O5

>  <Compd ID> (711)
BB-09-082

>  <Brand> (711)
DDP

>  <Mol_Weight> (711)
280.316

>  <Exact_Mass> (711)
280.131

>  <Chemical_Name> (711)
(S)-2-(benzyloxy)-4-(tert-butoxy)-4-oxobutanoic acid

$$$$

csCF1200/ 02271116062D

 19 20  0  0  0  0  0  0  0  0999 V2000
   31.3781  -22.0140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -19.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -26.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0595  -21.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -18.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -21.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -21.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7410  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 19  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 13 18  1  0        0
 17 19  1  0        0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  2  4  2  0        0
  1  5  1  6        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
M  END
>  <Formula> (712)
C16H16O3

>  <Compd ID> (712)
BB-09-086

>  <Brand> (712)
DDP

>  <Mol_Weight> (712)
256.296

>  <Exact_Mass> (712)
256.11

>  <Chemical_Name> (712)
(S)-2-(benzyloxy)-3-phenylpropanoic acid

$$$$

csCF1200/ 02271116062D

 24 25  0  0  0  0  0  0  0  0999 V2000
   31.3781  -22.0141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -22.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -19.7300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -26.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6536  -26.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9722  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2908  -26.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9722  -24.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2911  -25.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0596  -21.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -18.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7410  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 17 24  1  0        0
 18 19  2  0        0
 19 20  1  0        0
 20 21  2  0        0
 21 22  1  0        0
 22 23  2  0        0
 18 23  1  0        0
 22 24  1  0        0
  1 17  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  2  4  2  0        0
  1  5  1  6        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  1  0        0
 13 16  1  0        0
M  END
>  <Formula> (713)
C20H24O4

>  <Compd ID> (713)
BB-09-087

>  <Brand> (713)
DDP

>  <Mol_Weight> (713)
328.402

>  <Exact_Mass> (713)
328.167

>  <Chemical_Name> (713)
(S)-2-(benzyloxy)-3-(4-(tert-butoxy)phenyl)propanoic acid

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   31.4552  -20.6173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7742  -19.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0932  -20.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4552  -22.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1906  -17.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8744  -18.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8744  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1906  -20.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5067  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5067  -18.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8229  -20.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5 12  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
  6 11  1  0        0
 10 12  1  0        0
  5  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  1  4  1  6        0
M  END
>  <Formula> (714)
C10H14O2

>  <Compd ID> (714)
BB-10-001

>  <Brand> (714)
DDP

>  <Mol_Weight> (714)
166.217

>  <Exact_Mass> (714)
166.099

>  <Chemical_Name> (714)
(S)-2-(benzyloxy)propan-1-ol

$$$$

csCF1200/ 02271116062D

 14 14  0  0  0  0  0  0  0  0999 V2000
   31.4552  -20.6173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7742  -19.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0932  -20.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4552  -22.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7714  -22.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -22.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1906  -17.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8744  -18.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8744  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1906  -20.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5067  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5067  -18.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8229  -20.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7 14  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
  8 13  1  0        0
 12 14  1  0        0
  7  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  1  4  1  6        0
  4  5  1  0        0
  4  6  1  0        0
M  END
>  <Formula> (715)
C12H18O2

>  <Compd ID> (715)
BB-10-002

>  <Brand> (715)
DDP

>  <Mol_Weight> (715)
194.27

>  <Exact_Mass> (715)
194.131

>  <Chemical_Name> (715)
(S)-2-(benzyloxy)-3-methylbutan-1-ol

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   31.5246  -20.6626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.8463  -19.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1681  -20.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5246  -22.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8435  -22.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1625  -22.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8435  -24.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2056  -19.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2488  -17.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9298  -18.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9298  -19.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2488  -20.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5677  -19.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5677  -18.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8867  -20.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8 15  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
  9 14  1  0        0
 13 15  1  0        0
  8  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  1  4  1  6        0
  4  5  1  0        0
  5  6  1  0        0
  5  7  1  0        0
M  END
>  <Formula> (716)
C13H20O2

>  <Compd ID> (716)
BB-10-003

>  <Brand> (716)
DDP

>  <Mol_Weight> (716)
208.297

>  <Exact_Mass> (716)
208.146

>  <Chemical_Name> (716)
(S)-2-(benzyloxy)-4-methylpentan-1-ol

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -27.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -24.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1419  -19.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1933  -17.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8772  -18.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8772  -19.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1933  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5095  -19.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5095  -18.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8257  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13 20  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 14 19  1  0        0
 18 20  1  0        0
 13  1  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  1  4  1  6        0
  4  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
M  END
>  <Formula> (717)
C17H20O3

>  <Compd ID> (717)
BB-10-006

>  <Brand> (717)
DDP

>  <Mol_Weight> (717)
272.339

>  <Exact_Mass> (717)
272.141

>  <Chemical_Name> (717)
(R)-2,3-bis(benzyloxy)propan-1-ol

$$$$

csCF1200/ 02271116062D

  9  8  0  0  0  0  0  0  0  0999 V2000
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8201  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8660  -19.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  6  1  1  0        0
  7  6  1  0        0
  8  7  1  0        0
  8  9  1  0        0
M  END
>  <Formula> (718)
C6H14O3

>  <Compd ID> (718)
BB-10-009

>  <Brand> (718)
DDP

>  <Mol_Weight> (718)
134.174

>  <Exact_Mass> (718)
134.094

>  <Chemical_Name> (718)
(S)-2-(ethoxymethoxy)propan-1-ol

$$$$

csCF1200/ 02271116062D

 11 10  0  0  0  0  0  0  0  0999 V2000
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1419  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8201  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  5  7  1  0        0
  8  1  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
M  END
>  <Formula> (719)
C8H18O3

>  <Compd ID> (719)
BB-10-010

>  <Brand> (719)
DDP

>  <Mol_Weight> (719)
162.227

>  <Exact_Mass> (719)
162.126

>  <Chemical_Name> (719)
(S)-2-(ethoxymethoxy)-3-methylbutan-1-ol

$$$$

csCF1200/ 02271116062D

 12 11  0  0  0  0  0  0  0  0999 V2000
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8201  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  6  8  1  0        0
  9  1  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
M  END
>  <Formula> (720)
C9H20O3

>  <Compd ID> (720)
BB-10-011

>  <Brand> (720)
DDP

>  <Mol_Weight> (720)
176.253

>  <Exact_Mass> (720)
176.141

>  <Chemical_Name> (720)
(S)-2-(ethoxymethoxy)-4-methylpentan-1-ol

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -27.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -24.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8201  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5011  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1822  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8632  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 14  1  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
M  END
>  <Formula> (721)
C13H20O4

>  <Compd ID> (721)
BB-10-014

>  <Brand> (721)
DDP

>  <Mol_Weight> (721)
240.296

>  <Exact_Mass> (721)
240.136

>  <Chemical_Name> (721)
(R)-3-(benzyloxy)-2-(ethoxymethoxy)propan-1-ol

$$$$

csCF1200/ 02271116062D

 23 23  0  0  0  0  0  0  0  0999 V2000
   31.3781  -22.0141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -22.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -23.5366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0596  -21.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -18.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7410  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9725  -25.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2911  -26.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6097  -27.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6097  -25.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2911  -28.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9725  -24.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2911  -23.5366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 16  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 10 15  1  0        0
 14 16  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 18 20  1  0        0
 18 21  1  0        0
 22 23  2  0        0
 17 22  1  0        0
  1  9  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  1  6        0
  4  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8 22  1  0        0
M  END
>  <Formula> (722)
C18H29NO4

>  <Compd ID> (722)
BB-10-081

>  <Brand> (722)
DDP

>  <Mol_Weight> (722)
323.427

>  <Exact_Mass> (722)
323.21

>  <Chemical_Name> (722)
(S)-tert-butyl (5-(benzyloxy)-6-hydroxyhexyl)carbamate

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   31.3781  -22.0141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -22.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -23.5366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -25.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0596  -21.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -18.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7410  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 19  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 13 18  1  0        0
 17 19  1  0        0
  1 12  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  1  6        0
  4  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  5  9  2  0        0
  7 10  1  0        0
  7 11  1  0        0
M  END
>  <Formula> (723)
C15H22O4

>  <Compd ID> (723)
BB-10-082

>  <Brand> (723)
DDP

>  <Mol_Weight> (723)
266.333

>  <Exact_Mass> (723)
266.152

>  <Chemical_Name> (723)
(S)-tert-butyl 3-(benzyloxy)-4-hydroxybutanoate

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   31.3781  -22.0140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -26.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0592  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1034  -18.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7848  -19.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7848  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1034  -22.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4220  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4220  -19.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7406  -22.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11 18  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 12 17  1  0        0
 16 18  1  0        0
  1 11  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  1  6        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
M  END
>  <Formula> (724)
C16H18O2

>  <Compd ID> (724)
BB-10-086

>  <Brand> (724)
DDP

>  <Mol_Weight> (724)
242.313

>  <Exact_Mass> (724)
242.131

>  <Chemical_Name> (724)
(S)-2-(benzyloxy)-3-phenylpropan-1-ol

$$$$

csCF1200/ 02271116062D

 23 24  0  0  0  0  0  0  0  0999 V2000
   31.3781  -22.0140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -26.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6536  -26.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9722  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2908  -26.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9722  -24.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2911  -25.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0595  -21.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -18.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7852  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1038  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4224  -19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7410  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16 23  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 17 22  1  0        0
 21 23  1  0        0
  1 16  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  1  4  1  6        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
  8 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 12 14  1  0        0
 12 15  1  0        0
M  END
>  <Formula> (725)
C20H26O3

>  <Compd ID> (725)
BB-10-087

>  <Brand> (725)
DDP

>  <Mol_Weight> (725)
314.419

>  <Exact_Mass> (725)
314.188

>  <Chemical_Name> (725)
(S)-2-(benzyloxy)-3-(4-(tert-butoxy)phenyl)propan-1-ol

$$$$

csCF1200/ 02271116062D

 20 19  0  0  0  0  0  0  0  0999 V2000
   30.0592  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -22.0141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -22.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -23.5366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.7402  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4213  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1023  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7833  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9729  -25.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2915  -26.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6101  -27.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6101  -25.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2915  -28.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9729  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2915  -23.5368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0        0
 15 16  1  0        0
 15 17  1  0        0
 15 18  1  0        0
 19 20  2  0        0
 14 19  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 19  1  0        0
 10  1  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
M  END
>  <Formula> (726)
C14H29NO5

>  <Compd ID> (726)
BB-10-089

>  <Brand> (726)
DDP

>  <Mol_Weight> (726)
291.384

>  <Exact_Mass> (726)
291.205

>  <Chemical_Name> (726)
(S)-tert-butyl (5-(ethoxymethoxy)-6-hydroxyhexyl)carbamate

$$$$

csCF1200/ 02271116062D

 16 15  0  0  0  0  0  0  0  0999 V2000
   30.0592  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -22.0141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -22.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -23.5366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -25.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7402  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4213  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1023  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7833  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  6 10  2  0        0
  8 11  1  0        0
  8 12  1  0        0
 13  1  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
M  END
>  <Formula> (727)
C11H22O5

>  <Compd ID> (727)
BB-10-090

>  <Brand> (727)
DDP

>  <Mol_Weight> (727)
234.289

>  <Exact_Mass> (727)
234.147

>  <Chemical_Name> (727)
(S)-tert-butyl 3-(ethoxymethoxy)-4-hydroxybutanoate

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   30.0592  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -22.0140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -26.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7402  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4213  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1023  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7833  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 12  1  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
M  END
>  <Formula> (728)
C12H18O3

>  <Compd ID> (728)
BB-10-094

>  <Brand> (728)
DDP

>  <Mol_Weight> (728)
210.27

>  <Exact_Mass> (728)
210.126

>  <Chemical_Name> (728)
(S)-2-(ethoxymethoxy)-3-phenylpropan-1-ol

$$$$

csCF1200/ 02271116062D

 20 20  0  0  0  0  0  0  0  0999 V2000
   30.0592  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -22.0141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -22.0141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -26.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0161  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6536  -26.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9722  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2908  -26.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9722  -24.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2911  -25.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7402  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4213  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1023  -22.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7833  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  1  0        0
 13 16  1  0        0
 17  1  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 20 19  1  0        0
M  END
>  <Formula> (729)
C16H26O4

>  <Compd ID> (729)
BB-10-095

>  <Brand> (729)
DDP

>  <Mol_Weight> (729)
282.375

>  <Exact_Mass> (729)
282.183

>  <Chemical_Name> (729)
(S)-3-(4-(tert-butoxy)phenyl)-2-(ethoxymethoxy)propan-1-ol

$$$$

csCF1200/ 02271116062D

 12 12  0  0  0  0  0  0  0  0999 V2000
   30.1419  -19.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4608  -20.6205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7798  -19.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4608  -22.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0444  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3606  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3606  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0444  -19.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4121  -19.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5 12  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
  6 11  1  0        0
 10 12  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  5  1  0        0
  2  4  1  6        0
M  END
>  <Formula> (730)
C10H14O2

>  <Compd ID> (730)
BB-11-001

>  <Brand> (730)
DDP

>  <Mol_Weight> (730)
166.217

>  <Exact_Mass> (730)
166.099

>  <Chemical_Name> (730)
(S)-1-(benzyloxy)propan-2-ol

$$$$

csCF1200/ 02271116062D

 14 14  0  0  0  0  0  0  0  0999 V2000
   30.1419  -19.8590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4608  -20.6205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7798  -19.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4608  -22.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1446  -22.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0444  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3606  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3606  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0444  -19.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4121  -19.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7 14  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
  8 13  1  0        0
 12 14  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  7  1  0        0
  2  4  1  6        0
  4  5  1  0        0
  4  6  1  0        0
M  END
>  <Formula> (731)
C12H18O2

>  <Compd ID> (731)
BB-11-002

>  <Brand> (731)
DDP

>  <Mol_Weight> (731)
194.27

>  <Exact_Mass> (731)
194.131

>  <Chemical_Name> (731)
(S)-1-(benzyloxy)-3-methylbutan-2-ol

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   30.2028  -19.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5246  -20.6626    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.8463  -19.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5246  -22.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8435  -22.9471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1625  -22.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8435  -24.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1653  -20.6610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.1222  -22.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.4411  -22.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.4411  -20.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1222  -19.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8032  -20.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8032  -22.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4842  -19.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8 15  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
  9 14  1  0        0
 13 15  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3  8  1  0        0
  2  4  1  6        0
  4  5  1  0        0
  5  6  1  0        0
  5  7  1  0        0
M  END
>  <Formula> (732)
C13H20O2

>  <Compd ID> (732)
BB-11-003

>  <Brand> (732)
DDP

>  <Mol_Weight> (732)
208.297

>  <Exact_Mass> (732)
208.146

>  <Chemical_Name> (732)
(S)-1-(benzyloxy)-4-methylpentan-2-ol

$$$$

csCF1200/ 02271116062D

 20 21  0  0  0  0  0  0  0  0999 V2000
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -27.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -24.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0932  -20.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0417  -22.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3578  -22.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3578  -20.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0417  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7255  -20.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7255  -22.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 13 20  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 14 19  1  0        0
 18 20  1  0        0
  1  2  1  0        0
  2  3  1  0        0
  3 13  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12  7  1  0        0
  2  4  1  0        0
M  END
>  <Formula> (733)
C17H20O3

>  <Compd ID> (733)
BB-11-006

>  <Brand> (733)
DDP

>  <Mol_Weight> (733)
272.339

>  <Exact_Mass> (733)
272.141

>  <Chemical_Name> (733)
1,3-bis(benzyloxy)propan-2-ol

$$$$

csCF1200/ 02271116062D

  9  8  0  0  0  0  0  0  0  0999 V2000
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3717  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  6  4  1  0        0
  7  6  1  0        0
  8  7  1  0        0
  9  8  1  0        0
M  END
>  <Formula> (734)
C6H14O3

>  <Compd ID> (734)
BB-11-009

>  <Brand> (734)
DDP

>  <Mol_Weight> (734)
134.174

>  <Exact_Mass> (734)
134.094

>  <Chemical_Name> (734)
(S)-1-(ethoxymethoxy)propan-2-ol

$$$$

csCF1200/ 02271116062D

 11 10  0  0  0  0  0  0  0  0999 V2000
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1419  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  5  7  1  0        0
  8  4  1  0        0
  9  8  1  0        0
 10  9  1  0        0
 11 10  1  0        0
M  END
>  <Formula> (735)
C8H18O3

>  <Compd ID> (735)
BB-11-010

>  <Brand> (735)
DDP

>  <Mol_Weight> (735)
162.227

>  <Exact_Mass> (735)
162.126

>  <Chemical_Name> (735)
(S)-1-(ethoxymethoxy)-3-methylbutan-2-ol

$$$$

csCF1200/ 02271116062D

 12 11  0  0  0  0  0  0  0  0999 V2000
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  6  8  1  0        0
  9  4  1  0        0
 10  9  1  0        0
 11 10  1  0        0
 12 11  1  0        0
M  END
>  <Formula> (736)
C9H20O3

>  <Compd ID> (736)
BB-11-011

>  <Brand> (736)
DDP

>  <Mol_Weight> (736)
176.253

>  <Exact_Mass> (736)
176.141

>  <Chemical_Name> (736)
(S)-1-(ethoxymethoxy)-4-methylpentan-2-ol

$$$$

csCF1200/ 02271116062D

 17 17  0  0  0  0  0  0  0  0999 V2000
   30.1391  -19.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -20.6189    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.7770  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0959  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4580  -22.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -22.8986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7742  -24.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0904  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -27.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -26.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7283  -25.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4093  -24.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4149  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7338  -20.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0528  -19.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3718  -20.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13  8  1  0        0
 14  4  1  0        0
 15 14  1  0        0
 16 15  1  0        0
 17 16  1  0        0
M  END
>  <Formula> (737)
C13H20O4

>  <Compd ID> (737)
BB-11-014

>  <Brand> (737)
DDP

>  <Mol_Weight> (737)
240.296

>  <Exact_Mass> (737)
240.136

>  <Chemical_Name> (737)
(S)-1-(benzyloxy)-3-(ethoxymethoxy)propan-2-ol

$$$$

csCF1200/ 02271116062D

 23 23  0  0  0  0  0  0  0  0999 V2000
   35.9937  -21.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6748  -22.0142    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   33.3558  -21.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6748  -23.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9937  -24.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3127  -23.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6317  -24.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9506  -23.5367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0373  -22.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0815  -24.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7629  -23.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7629  -22.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0815  -21.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4001  -22.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4001  -23.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7187  -21.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2692  -25.8206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.5878  -26.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9064  -27.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9064  -25.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5878  -28.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2692  -24.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5878  -23.5367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 16  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 10 15  1  0        0
 14 16  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 18 20  1  0        0
 18 21  1  0        0
 22 23  2  0        0
 17 22  1  0        0
  2  1  1  1        0
  3  2  1  0        0
  9  3  1  0        0
  2  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8 22  1  0        0
M  END
>  <Formula> (738)
C18H29NO4

>  <Compd ID> (738)
BB-11-081

>  <Brand> (738)
DDP

>  <Mol_Weight> (738)
323.427

>  <Exact_Mass> (738)
323.21

>  <Chemical_Name> (738)
(S)-tert-butyl (6-(benzyloxy)-5-hydroxyhexyl)carbamate

$$$$

csCF1200/ 02271116062D

 19 19  0  0  0  0  0  0  0  0999 V2000
   30.0594  -20.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3783  -20.8716    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6973  -20.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3783  -22.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6973  -23.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6973  -24.6787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.0162  -25.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0162  -26.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0159  -22.3944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3348  -24.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3352  -26.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0159  -20.8714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9716  -23.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2902  -22.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2902  -20.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9716  -20.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6530  -20.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6530  -22.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3345  -20.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12 19  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 17 18  2  0        0
 13 18  1  0        0
 17 19  1  0        0
  2  1  1  0        0
  3  2  1  0        0
 12  3  1  0        0
  2  4  1  6        0
  4  5  1  0        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  5  9  2  0        0
  7 10  1  0        0
  7 11  1  0        0
M  END
>  <Formula> (739)
C15H22O4

>  <Compd ID> (739)
BB-11-082

>  <Brand> (739)
DDP

>  <Mol_Weight> (739)
266.333

>  <Exact_Mass> (739)
266.152

>  <Chemical_Name> (739)
(S)-tert-butyl 4-(benzyloxy)-3-hydroxybutanoate

$$$$

csCF1200/ 02271116062D

 18 19  0  0  0  0  0  0  0  0999 V2000
   30.0592  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -22.0140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -26.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9718  -24.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2904  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2904  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9718  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6532  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6532  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3346  -21.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11 18  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 12 17  1  0        0
 16 18  1  0        0
  2  1  1  0        0
  3  2  1  0        0
 11  3  1  0        0
  2  4  1  6        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
M  END
>  <Formula> (740)
C16H18O2

>  <Compd ID> (740)
BB-11-086

>  <Brand> (740)
DDP

>  <Mol_Weight> (740)
242.313

>  <Exact_Mass> (740)
242.131

>  <Chemical_Name> (740)
(S)-1-(benzyloxy)-3-phenylpropan-2-ol

$$$$

csCF1200/ 02271116062D

 23 24  0  0  0  0  0  0  0  0999 V2000
   30.0597  -19.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3787  -20.4914    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6976  -19.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3787  -22.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6976  -22.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6976  -24.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0166  -25.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3355  -24.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3355  -22.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0166  -22.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6541  -25.0597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.6541  -26.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9727  -27.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3355  -27.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6541  -28.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0162  -20.4912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9720  -22.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2906  -22.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2906  -20.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9720  -19.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6534  -20.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6534  -22.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3348  -19.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16 23  1  0        0
 17 18  2  0        0
 18 19  1  0        0
 19 20  2  0        0
 20 21  1  0        0
 21 22  2  0        0
 17 22  1  0        0
 21 23  1  0        0
  2  1  1  0        0
  3  2  1  0        0
 16  3  1  0        0
  2  4  1  6        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9 10  2  0        0
 10  5  1  0        0
  8 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 12 14  1  0        0
 12 15  1  0        0
M  END
>  <Formula> (741)
C20H26O3

>  <Compd ID> (741)
BB-11-087

>  <Brand> (741)
DDP

>  <Mol_Weight> (741)
314.419

>  <Exact_Mass> (741)
314.188

>  <Chemical_Name> (741)
(S)-1-(benzyloxy)-3-(4-(tert-butoxy)phenyl)propan-2-ol

$$$$

csCF1200/ 02271116062D

 20 19  0  0  0  0  0  0  0  0999 V2000
   30.0592  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -22.0140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -23.5366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9729  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2919  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9729  -25.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2915  -26.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6101  -27.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6101  -25.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2915  -28.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9729  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2915  -23.5368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0        0
 15 16  1  0        0
 15 17  1  0        0
 15 18  1  0        0
 19 20  2  0        0
 14 19  1  0        0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 19  1  0        0
 10  4  1  0        0
 11 10  1  0        0
 12 11  1  0        0
 13 12  1  0        0
M  END
>  <Formula> (742)
C14H29NO5

>  <Compd ID> (742)
BB-11-089

>  <Brand> (742)
DDP

>  <Mol_Weight> (742)
291.384

>  <Exact_Mass> (742)
291.205

>  <Chemical_Name> (742)
(S)-tert-butyl (6-(ethoxymethoxy)-5-hydroxyhexyl)carbamate

$$$$

csCF1200/ 02271116062D

 16 15  0  0  0  0  0  0  0  0999 V2000
   30.0592  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -22.0140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -23.5366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -25.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9729  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2919  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  6 10  2  0        0
  8 11  1  0        0
  8 12  1  0        0
 13  4  1  0        0
 14 13  1  0        0
 15 14  1  0        0
 16 15  1  0        0
M  END
>  <Formula> (743)
C11H22O5

>  <Compd ID> (743)
BB-11-090

>  <Brand> (743)
DDP

>  <Mol_Weight> (743)
234.289

>  <Exact_Mass> (743)
234.147

>  <Chemical_Name> (743)
(S)-tert-butyl 4-(ethoxymethoxy)-3-hydroxybutanoate

$$$$

csCF1200/ 02271116062D

 15 15  0  0  0  0  0  0  0  0999 V2000
   30.0592  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -22.0140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -26.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9729  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2919  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
 12  4  1  0        0
 13 12  1  0        0
 14 13  1  0        0
 15 14  1  0        0
M  END
>  <Formula> (744)
C12H18O3

>  <Compd ID> (744)
BB-11-094

>  <Brand> (744)
DDP

>  <Mol_Weight> (744)
210.27

>  <Exact_Mass> (744)
210.126

>  <Chemical_Name> (744)
(S)-1-(ethoxymethoxy)-3-phenylpropan-2-ol

$$$$

csCF1200/ 02271116062D

 20 20  0  0  0  0  0  0  0  0999 V2000
   30.0592  -21.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -22.0140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.6971  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3781  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6971  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -26.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -24.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0160  -23.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6536  -26.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9722  -25.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2908  -26.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9722  -24.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2911  -25.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3350  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6540  -22.0140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9729  -21.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2919  -22.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0        0
  3  2  1  0        0
  4  3  1  0        0
  2  5  1  6        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11  6  1  0        0
  9 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 13 15  1  0        0
 13 16  1  0        0
 17  4  1  0        0
 18 17  1  0        0
 19 18  1  0        0
 20 19  1  0        0
M  END
>  <Formula> (745)
C16H26O4

>  <Compd ID> (745)
BB-11-095

>  <Brand> (745)
DDP

>  <Mol_Weight> (745)
282.375

>  <Exact_Mass> (745)
282.183

>  <Chemical_Name> (745)
(S)-1-(4-(tert-butoxy)phenyl)-3-(ethoxymethoxy)propan-2-ol

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