0  B9R1.8  c1ccc(cc1)CCBr 20087 [1,0,0,0,0,0|1,0,1]=3
1  B9R1.8  c1ccc(cc1)CCN 14206 [1,0,0,0,0,0|1,0,1]=3
2  B11R1.16  CC(CNC)c1ccccc1 18563 [0,1,0,0,0,0|3,0,0]=4
3  B11R1.40  CCC(Cc1ccccc1)N 9001864 [0,1,0,0,0,0|2,0,1]=4
4  B11R1.40  C[C@@H](Cc1ccccc1)NC 13997 [0,1,0,0,0,0|3,0,0]=4
5  B11R1.40  C[C@H](Cc1ccccc1)NC 13998 [0,1,0,0,0,0|3,0,0]=4
6  B11R1.91  CC(=N)NCc1ccccc1 13570 [0,1,0,0,0,0|2,0,0]=3
7  B11R1.91  c1cnc(nc1)CCC(=O)O 10007109 [0,1,0,0,0,0|3,0,0]=4
8  B11R2.4  c1ccc(cc1)[C@H]2C[C@@H]2N 10010494 [0,0,0,1,0,0|2,0,1]=4
9  B8R1.2  c1ccc(cc1)N=O 21009 [2,0,0,0,0,0|1,0,0]=3
10  B8R1.2  c1cnc(nc1)CO 10007112 [2,0,0,0,0,0|2,0,0]=4
11  B8R1.2  c1cncnc1CO 10007111 [2,0,0,0,0,0|2,0,0]=4
12  B10R1.1  c1cc(ccc1CCN)O 18601 [1,1,0,0,0,0|1,0,1]=4
13  B10R1.15  CC(CN)c1ccccc1 17742 [1,1,0,0,0,0|1,0,1]=4
14  B10R1.15  c1ccc(cc1)[C@H](CO)N 10007132 [1,1,0,0,0,0|0,0,2]=4
15  B10R1.18  CC(=O)Cc1ccccc1 16103 [1,1,0,0,0,0|0,0,0]=2
16  B10R1.18  CC(=O)Cc1ccccc1 16444 [1,1,0,0,0,0|0,0,0]=2
17  B10R1.18  C[C@@H](Cc1ccccc1)N 14204 [1,1,0,0,0,0|1,0,1]=4
18  B10R1.18  C[C@@H](Cc1ccccc1)N 15650 [1,1,0,0,0,0|1,0,1]=4
19  B10R1.18  c1ccc(cc1)CC(=O)O 18709 [1,1,0,0,0,0|0,0,0]=2
20  B10R1.18  c1cnc(nc1)CC(=O)O 10007116 [1,1,0,0,0,0|2,0,0]=4
21  B12R1.21  c1cc(ccc1\C=C\C(=O)O)O 20929 [0,2,0,0,0,0|1,0,1]=4
22  B12R1.226  c1cc(cc(c1)I)CNC(=N)N 19998 [0,2,0,0,0,0|2,0,0]=4
23  B12R1.226  c1cc(cc(c1)I)CNC(=N)N 19998 [0,2,0,0,0,0|2,0,0]=4
24  B12R1.32  CC(Cc1ccccc1)NC=O 18597 [0,2,0,0,0,0|1,0,0]=3
25  B12R1.252  c1ccc(cc1)CCCC(=O)[O-] 11323 [0,2,0,0,0,0|1,0,0]=3
26  B12R1.43  c1ccc(cc1)CC(C(=O)O)S 17261 [0,2,0,0,0,0|1,0,0]=3