0  B12R1.43  CC(C(=O)O)Nc1ccccc1 LS10086 [0,0,0,0,0,0|2,0,1]=3
1  B12R1.43  C\C(=C/c1ccccc1)\[N+](=O)[O-] LS11815 [0,0,0,0,0,0|2,0,0]=2
2  B11R1.91  CC(=O)CCc1ccccc1 LS10597 [1,0,0,0,0,0|0,0,2]=3
3  B11R1.91  c1cc(cnc1)\C=C\C(=O)O LS20492 [1,0,0,0,0,0|2,0,0]=3
4  B11R1.91  c1ccc(cc1)COC(=O)N LS40379 [1,0,0,0,0,0|2,0,1]=4
5  B11R1.91  c1ccc(cc1)\C=C\C(=O)O LS00072 [1,0,0,0,0,0|1,0,0]=2
6  B13R1.133  C[C@H](C(=O)O)Oc1ccc(cc1)O LS30251 [0,1,0,0,0,0|2,0,1]=4
7  B13R2.435  c1ccc2c(c1)CC(N2)C(=O)O LS20412 [0,0,0,1,0,0|2,0,1]=4
8  B13R2.435  c1ccc2c(c1)C[C@H](N2)C(=O)O LS30268 [0,0,0,1,0,0|2,0,1]=4
9  B13R2.435  c1ccc2c(c1)cc(s2)C(=O)O LS40345 [0,0,0,1,0,0|2,0,0]=3
10  B11R1.36  CC(c1ccccc1)C(=O)O LS10633 [0,0,0,0,1,0|1,0,1]=3
11  B11R1.36  C[C@H](c1ccccc1)C(=O)O LS30098 [0,0,0,0,1,0|1,0,1]=3
12  B11R1.36  c1ccc(cc1)C(C(=O)O)O LS00073 [0,0,0,0,1,0|2,0,1]=4
13  B13R1.351  CC(=C)C(=O)OCc1ccccc1 LS11727 [0,0,0,0,0,1|2,0,1]=4
14  B10R1.17  c1ccc(cc1)C#CC=O LS11729 [2,0,0,0,0,0|0,0,2]=4
15  B10R1.18  CC(=O)Cc1ccncc1 LS00130 [2,0,0,0,0,0|1,0,1]=4
16  B10R1.18  c1ccc(cc1)CC(=O)N LS11701 [2,0,0,0,0,0|1,0,1]=4
17  B12R1.21  CC(=O)CCc1ccc(cc1)O LS40102 [1,1,0,0,0,0|0,0,2]=4
18  B12R1.21  c1cc(ccc1\C=C\C(=O)O)O LS30305 [1,1,0,0,0,0|1,0,0]=3
19  B12R1.21  c1cc(ccc1\C=C\[N+](=O)[O-])Br LS10167 [1,1,0,0,0,0|2,0,0]=4
20  B12R2.18  c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [1,0,0,1,0,0|2,0,0]=4
21  B12R2.24  Cc1ccc2ccccc2n1 LS20882 [1,0,0,1,0,0|1,0,1]=4
22  B12R2.24  c1ccc2cc(ccc2c1)Br LS20581 [1,0,0,1,0,0|1,0,1]=4
23  B14R2.19  c1ccc(cc1)CN2CCC(=O)C2 LS40626 [0,0,0,1,0,1|1,0,1]=4
24  B14R2.781  c1ccc2c(c1)cc(cn2)C(=O)O LS20865 [0,0,0,1,0,1|1,0,1]=4
25  B14R2.781  c1ccc2c(c1)ccc(n2)C(=O)O LS20881 [0,0,0,1,0,1|2,0,0]=4
26  B14R2.781  c1ccc2c(c1)ncc(n2)C(=O)O LS20864 [0,0,0,1,0,1|2,0,0]=4
27  B14R2.781  c1ccc2cnc(cc2c1)C(=O)O LS20126 [0,0,0,1,0,1|1,0,1]=4
28  B14R2.4529  c1cc(cc2c1cc([nH]2)C(=O)O)Br LS20433 [0,1,0,1,0,0|2,0,0]=4
29  B14R2.4529  c1cc2c(cc1F)cc([nH]2)C(=O)O LS20431 [0,1,0,1,0,0|2,0,0]=4
30  B14R2.4529  c1cc2c(cc1N)cc(o2)C(=O)O LS41072 [0,1,0,1,0,0|2,0,0]=4
31  B14R2.7969  c1cc2c(cc(s2)C(=O)O)c(c1)Br LS40988 [0,1,0,1,0,0|2,0,0]=4
32  B10R1.66  c1cc(sc1)\C=C\C(=O)O LS20822 [1,0,0,0,1,0|2,0,0]=4