0  B11R1.21  CC1=C(C)N=CC(C(=O)O)=C1 4091150 [1,0,0,0,0,0|2,0,0]=3
1  B11R1.266  CCC1=NC=CC(C(=O)O)=C1 4036495 [1,0,0,0,0,0|2,0,0]=3
2  B11R1.266  CNC1=NC=CC(C(=O)O)=C1 4015123 [1,0,0,0,0,0|2,0,0]=3
3  B13R2.430  CC(N)C1=CC2=C(C=C1)OCO2 3002365 [0,0,0,1,0,0|2,0,1]=4
4  B13R2.430  O=C(O)C1=CC=C2C=CNC2=C1 3020064 [0,0,0,1,0,0|2,0,1]=4
5  B13R2.430  O=C(O)C1=CN=C2CCCC2=C1 4401409 [0,0,0,1,0,0|3,0,0]=4
6  B11R1.48  CCC1=C(Br)C=C(C(=O)O)S1 3013956 [0,0,0,0,1,0|3,0,0]=4
7  B11R1.64  CCC1=C(C)SC=C1C(=O)O 3007493 [0,0,0,0,1,0|3,0,0]=4
8  B12R1.48  COC1=C(O)C=C(C(=O)O)N=C1 4088767 [1,1,0,0,0,0|1,0,0]=3
9  B12R1.367  CNC(=O)C1=CC(C)=C(N)C=C1 4089172 [1,1,0,0,0,0|2,0,0]=4
10  B12R1.1005  CC1=C(N)C(Br)=CC(C(=O)O)=C1 4029495 [1,1,0,0,0,0|1,0,0]=3
11  B12R1.279  CCCC1=NC=CC(C(=O)O)=C1 4041134 [1,1,0,0,0,0|2,0,0]=4
12  B12R1.279  COCC1=NC(C(=O)O)=CC=C1 4089419 [1,1,0,0,0,0|1,0,0]=3
13  B12R1.440  COC1=C(O)C(C(=O)O)=NC=C1 4063258 [1,1,0,0,0,0|1,0,0]=3
14  B12R1.449  COC1=CC(C=O)=C(Br)C=C1O 3004167 [1,1,0,0,0,0|0,0,0]=2
15  B12R1.449  COC1=CC(C=O)=C(Cl)C=C1O 4004195 [1,1,0,0,0,0|0,0,0]=2
16  B14R1.6723  CCOC1=CC=C(C(=O)O)C=C1OC 6132518 [0,2,0,0,0,0|0,0,0]=2
17  B12R2.44  NNC1=CC=C2OCOC2=C1 4091107 [1,0,0,1,0,0|2,0,0]=4
18  B14R2.966  NNC(=O)C1=CC=C2OCOC2=C1 3002646 [0,1,0,1,0,0|1,0,0]=3
19  B14R2.601  CC1CC2=C(C=CC(C(=O)O)=C2)O1 4027432 [0,1,0,1,0,0|1,0,0]=3
20  B14R2.781  O=C(O)C1=CC2=C(C=N1)OCCO2 4037001 [0,1,0,1,0,0|1,0,0]=3
21  B10R1.194  CC1=C(C)C(C(=O)O)=CS1 3002457 [1,0,0,0,1,0|2,0,0]=4
22  B10R1.194  CC1=CC=C(C(=O)O)N1C 4028920 [1,0,0,0,1,0|2,0,0]=4
23  B10R1.31  CCC1=CC(C(=O)O)=CS1 3007503 [1,0,0,0,1,0|2,0,0]=4
24  B10R1.31  CCC1=CC=C(C(=O)O)N1 4043364 [1,0,0,0,1,0|2,0,0]=4
25  B10R1.31  COC1=CC=C(C(=O)O)O1 4001967 [1,0,0,0,1,0|1,0,0]=3