0  B11R1.53  CN(C)C1=NC=CC=C1CO 4088867 [0,0,0,0,0,0|4,0,0]=4
1  B11R1.53  NCC1=CC=CC=C1C(=O)O 4090789 [0,0,0,0,0,0|4,0,0]=4
2  B10R1.20  CNC1=NC=CC=C1C=O 4090184 [1,0,0,0,0,0|2,0,0]=3
3  B10R1.20  COC1=CC=CN=C1CCl 4089597 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.61  CC(=O)C1=CC=CN=C1Cl 4031453 [1,0,0,0,0,0|2,0,0]=3
5  B12R2.1081  NC1CCCC2=NC=CC=C21 4031914 [0,0,0,1,0,0|2,0,1]=4
6  B10R1.39  CCN1N=CC=C1C(C)=O 4030142 [0,0,0,0,1,0|1,0,0]=2
7  B10R1.39  O=C(O)C1=C(CBr)OC=C1 4104018 [0,0,0,0,1,0|3,0,0]=4
8  B9R1.15  CC1=C(CCl)N=CC=C1 4088897 [2,0,0,0,0,0|2,0,0]=4
9  B9R1.15  CC1=NC=CC=C1CCl 4088270 [2,0,0,0,0,0|2,0,0]=4
10  B9R1.15  CC1=NC=CN=C1C=O 4030187 [2,0,0,0,0,0|0,0,0]=2
11  B9R1.15  CCC1=CC=CN=C1Cl 4037222 [2,0,0,0,0,0|2,0,0]=4
12  B9R1.6  CC(=O)C1=NC=CN=C1 3020083 [2,0,0,0,0,0|0,0,0]=2
13  B11R1.41  COC1=NC=CC=C1CCN 4069505 [1,1,0,0,0,0|2,0,0]=4
14  B11R1.166  CC(=O)C1=CNC(=O)N=C1C 4090304 [1,1,0,0,0,0|2,0,0]=4
15  B11R1.193  CCCC1=NNC=C1C(=O)O 3002026 [0,1,0,0,1,0|2,0,0]=4
16  B11R1.193  O=C(O)C1=CC=NN1CCO 4047989 [0,1,0,0,1,0|2,0,0]=4
17  B11R1.471  CCN1N=CC(Br)=C1C(=O)O 3002127 [0,1,0,0,1,0|2,0,0]=4
18  B9R1.41  CC(=O)C1=CN=NN1C 4110788 [1,0,0,0,1,0|2,0,0]=4
19  B9R1.41  CC1=C(C(=O)O)N=CS1 4043076 [1,0,0,0,1,0|2,0,0]=4
20  B9R1.41  CC1=C(C(=O)O)OC=N1 4401487 [1,0,0,0,1,0|2,0,0]=4
21  B9R1.41  CC1=C(C(=O)O)SC=C1 3020058 [1,0,0,0,1,0|2,0,0]=4