0  B11R1.91  CC(=O)COc1ccccc1 CM11227 [0,0,0,0,0,0|2,0,0]=2
1  B12R1.27  COC(=O)CCc1ccccc1 CM13745 [0,1,0,0,0,0|1,0,0]=2
2  B12R1.107  CC(c1ccccc1)NC(=O)C CM11017 [0,1,0,0,0,0|1,0,0]=2
3  B12R1.125  c1ccc(c(c1)CCC(=O)O)Br CM13747 [0,1,0,0,0,0|2,0,0]=3
4  B12R1.226  c1cc(cc(c1)Br)C=CC(=O)O CM13573 [0,1,0,0,0,0|2,0,1]=4
5  B12R2.24  c1ccc2c(c1)CCN(C2)N CM10279 [0,0,0,1,0,0|3,0,0]=4
6  B12R2.24  c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [0,0,0,1,0,0|3,0,0]=4
7  B12R1.252  c1ccc(cc1)COCC(=O)O CM13869 [0,0,0,0,0,1|1,0,0]=2
8  B9R1.8  c1ccc(cc1)CNN CM14002 [2,0,0,0,0,0|2,0,0]=4
9  B9R1.8  c1ccc(cc1)CNO CM10002 [2,0,0,0,0,0|1,0,1]=4
10  B11R1.1  c1cc(ccc1CN=C=O)F CM13788 [1,1,0,0,0,0|1,0,1]=4
11  B11R1.20  CC(=O)Cc1ccc(cc1)Cl CM10951 [0,1,0,0,1,0|0,0,0]=2
12  B11R1.20  CC(=O)Cc1ccc(cc1)F CM10927 [0,1,0,0,1,0|0,0,0]=2
13  B11R1.20  CC(=O)Oc1ccc(cc1)F CM12027 [0,1,0,0,1,0|0,0,0]=2
14  B11R1.20  CC(C)Cc1ccc(cc1)Br CM12109 [0,1,0,0,1,0|1,0,1]=4
15  B11R1.20  CC(C)Oc1ccc(cc1)N CM11503 [0,1,0,0,1,0|1,0,1]=4
16  B11R1.20  c1cc(ccc1CC(=O)O)F CM13704 [0,1,0,0,1,0|1,0,0]=3
17  B11R1.20  c1cc(ccc1F)[ClH]C(=O)[O-] CM13921 [0,1,0,0,1,0|2,0,0]=4
18  B11R1.20  c1cc(ccc1[ClH]C(=O)[O-])Br CM13923 [0,1,0,0,1,0|2,0,0]=4
19  B11R1.86  CC(=O)Cc1ccccc1Cl CM10944 [0,1,0,0,1,0|0,0,0]=2
20  B11R1.86  CC(=O)Cc1ccccc1F CM10960 [0,1,0,0,1,0|0,0,0]=2
21  B11R1.157  Cc1cccc(c1)CC(=O)O CM13725 [0,1,0,0,1,0|1,0,0]=3
22  B11R1.157  c1cc(cc(c1)F)CC(=O)O CM13703 [0,1,0,0,1,0|1,0,0]=3
23  B11R1.157  c1cc(cc(c1)I)CC(=O)O CM13719 [0,1,0,0,1,0|1,0,0]=3
24  B13R1.45  c1ccc(cc1)C(=O)CCC(=O)O CM11066 [0,1,0,0,0,1|2,0,0]=4
25  B13R1.3  c1cc(ccc1CCC(=O)O)C=O CM10124 [0,2,0,0,0,0|2,0,0]=4
26  B13R1.14  COC(=O)C=Cc1ccc(cc1)Cl CM13579 [0,2,0,0,0,0|1,0,1]=4
27  B13R1.14  COC(=O)CCc1ccc(cc1)O CM13750 [0,2,0,0,0,0|1,0,0]=3
28  B13R1.15  COC(=O)C=Cc1cccc(c1)Br CM13574 [0,2,0,0,0,0|1,0,1]=4
29  B13R1.15  COC(=O)CCc1cccc(c1)Br CM13748 [0,2,0,0,0,0|1,0,0]=3
30  B13R1.417  c1ccc(cc1)COC(CO)CO CM10039 [0,2,0,0,0,0|0,0,2]=4
31  B13R1.528  COC(=O)CCc1ccccc1Br CM13746 [0,2,0,0,0,0|1,0,0]=3
32  B11R2.1  Cc1c2ccccc2[nH]n1 CM10785 [1,0,0,1,0,0|2,0,0]=4
33  B11R2.1  c1ccc2c(c1)CNC2=O CM10840 [1,0,0,1,0,0|1,0,0]=3
34  B11R2.1  c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [1,0,0,1,0,0|2,0,0]=4
35  B11R2.10  c1ccc2c(c1)CN(C2)N CM10313 [0,0,0,1,1,0|2,0,0]=4
36  B13R2.33  c1ccc2c(c1)CCC(=O)CC2 CM10091 [0,1,0,1,0,0|1,0,0]=3
37  B13R2.162  c1cc2c(c(c1)O)CC(=O)CC2 CM10046 [0,1,0,1,0,0|1,0,0]=3
38  B13R2.3683  c1cc2c(cc1Br)COC(=O)N2 CM14341 [0,1,0,1,0,0|1,0,0]=3
39  B13R2.3683  c1cc2c(cc1F)CCC(=O)N2 CM10631 [0,1,0,1,0,0|2,0,0]=4