0  B13R1.45  CC(Cl)CCC(=O)C1=CC=CC=C1 10584 [1,0,0,0,0,0|2,0,0]=3
1  B13R1.45  CC(O)CCC(=O)C1=CC=CC=C1 14040 [1,0,0,0,0,0|2,0,0]=3
2  B13R1.201  CC(C)CC(=O)C1=C(Br)C=CC=C1 25704 [0,0,0,0,1,0|1,0,0]=2
3  B12R1.30  CCCCC(=O)C1=CC=CC=C1 25461 [2,0,0,0,0,0|1,0,0]=3
4  B12R1.30  CNCCC(=O)C1=CC=CC=C1 20705 [2,0,0,0,0,0|2,0,0]=4
5  B12R1.30  O=C(OCCCl)C1=CC=CC=C1 19864 [2,0,0,0,0,0|1,0,0]=3
6  B12R1.308  CCCC(=O)C1=C(O)C=CC=C1 21426 [2,0,0,0,0,0|1,0,0]=3
7  B12R1.308  CCOC(=O)C1=C(Br)C=CC=C1 3937 [2,0,0,0,0,0|1,0,0]=3
8  B12R1.308  CCOC(=O)C1=C(Br)C=NC=C1 17515 [2,0,0,0,0,0|2,0,0]=4
9  B12R1.308  CCOC(=O)C1=C(Br)N=CC=C1 12886 [2,0,0,0,0,0|2,0,0]=4
10  B12R1.308  CCOC(=O)C1=C(C)C=CC=C1 15493 [2,0,0,0,0,0|1,0,0]=3
11  B12R1.308  CCOC(=O)C1=C(C)N=CC=C1 12727 [2,0,0,0,0,0|2,0,0]=4
12  B12R1.308  CCOC(=O)C1=C(Cl)C=CC=C1 3703 [2,0,0,0,0,0|1,0,0]=3
13  B12R1.308  CCOC(=O)C1=C(F)C=CC=C1 3469 [2,0,0,0,0,0|1,0,0]=3
14  B12R1.308  CCOC(=O)C1=C(I)C=CC=C1 3881 [2,0,0,0,0,0|1,0,0]=3
15  B12R1.308  CCOC(=O)C1=C(N)C=NC=C1 16750 [2,0,0,0,0,0|1,0,0]=3
16  B12R1.308  CCOC(=O)C1=C(N)N=CC=C1 12921 [2,0,0,0,0,0|1,0,0]=3
17  B12R1.308  CCOC(=O)C1=C(O)C=NC=C1 24103 [2,0,0,0,0,0|2,0,0]=4
18  B12R1.308  CCOC(=O)C1=CC=CC=C1N 13628 [2,0,0,0,0,0|0,0,0]=2
19  B12R1.308  CCOC(=O)C1=CC=CC=C1S 6857 [2,0,0,0,0,0|1,0,0]=3
20  B14R1.417  CC(Cl)CC(Cl)C(=O)C1=CC=CC=C1 10585 [1,1,0,0,0,0|2,0,0]=4
21  B14R1.4451  CC(C)(C)OC(=O)C1=C(N)C=CC=C1 36080 [0,1,0,0,1,0|0,0,0]=2
22  B14R2.403  CC1(C)COC(C2=CC=CN=C2)=N1 8698 [1,0,0,1,0,0|2,0,0]=4
23  B14R2.29285  CC1(C)CCC(=O)C2=CC=CC=C21 25726 [1,0,0,1,0,0|1,0,0]=3
24  B14R2.44  CCCC1CC2=CC=CC=C2C1=O 5355 [1,0,0,1,0,0|2,0,0]=4
25  B14R2.2  CC(N)CC1=CNC2=CC=CC=C12 9448 [0,0,0,1,1,0|2,0,0]=4
26  B14R2.2  CN(C)CC1=CNC2=CC=CC=C12 8121 [0,0,0,1,1,0|2,0,0]=4
27  B14R2.8052  CC1(C)OC(=O)C2=C1C=CN=C2Cl 34884 [0,0,0,1,1,0|2,0,0]=4
28  B16R2.7896  COC1=C(C2=NC(C)(C)CO2)C=CC=C1 8935 [0,1,0,1,0,0|2,0,0]=4