0  B12R1.252  O=C(O)COCC1=CC=CC=C1 BB01-5008 [0,0,0,0,0,0|1,0,0]=1
1  B11R1.28  C=CCNCC1=CC=CC=C1 BB20-4594 [1,0,0,0,0,0|2,0,0]=3
2  B11R1.28  NCCSCC1=CC=CC=C1 BB53-1385 [1,0,0,0,0,0|2,0,1]=4
3  B11R1.28  OCCNCC1=CC=CC=C1 BB17-0809 [1,0,0,0,0,0|1,0,1]=3
4  B13R1.45  O=C(O)CSC(=S)C1=CC=CC=C1 BB12-1361 [0,1,0,0,0,0|1,0,1]=3
5  B13R1.348  CC(=O)CC(=O)NC1=CC=CC=C1 BB12-1362 [0,1,0,0,0,0|2,0,1]=4
6  B13R1.351  O=C(O)C(=O)CCC1=CC=CC=C1 BB12-2929 [0,1,0,0,0,0|0,0,1]=2
7  B13R1.3523  CS(=O)(=O)NCCC1=CC=CC=C1 BB17-1510 [0,1,0,0,0,0|2,0,1]=4
8  B11R1.91  NC(=S)COC1=CC=CC=C1 BB20-4704 [0,0,0,0,1,0|2,1,0]=4
9  B11R1.91  O=C(Cl)CSC1=NC=CC=C1 BB12-3011 [0,0,0,0,1,0|3,0,0]=4
10  B11R1.91  O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,0,0,0,1,0|1,0,0]=2
11  B13R1.337  O=C(O)CCSCC1=CC=CC=C1 BB12-2751 [0,0,0,0,0,1|0,0,0]=1
12  B10R1.17  BrCCOC1=CC=CC=C1 BB17-1654 [2,0,0,0,0,0|2,0,0]=4
13  B12R1.21  CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [0,1,0,0,1,0|1,0,0]=3
14  B12R1.21  NC(=O)COC1=CC=C(N)C=C1 BB12-1839 [0,1,0,0,1,0|2,0,0]=4
15  B12R1.21  NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [0,1,0,0,1,0|1,0,0]=3
16  B12R1.21  O=C(O)\C=C\C1=CC=C(I)C=C1 BB17-2516 [0,1,0,0,1,0|0,0,2]=4
17  B12R1.107  CC(=O)CC(=O)C1=CC=CC=C1 BB12-2875 [0,1,0,0,1,0|1,0,1]=4
18  B12R1.107  CN(CC(=O)O)C1=CC=CC=C1 BB12-1278 [0,1,0,0,1,0|1,0,0]=3
19  B12R1.125  CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [0,1,0,0,1,0|0,0,2]=4
20  B12R1.125  CC1=CC=CC=C1NCC(=O)O BB12-2586 [0,1,0,0,1,0|1,0,0]=3
21  B12R1.125  CC1=CC=CC=C1OCC(=O)O BB01-6379 [0,1,0,0,1,0|1,0,0]=3
22  B12R1.125  O=C(O)COC1=C(F)C=CC=C1 BB12-2037 [0,1,0,0,1,0|1,0,0]=3
23  B12R1.226  CC1=CC(NCC(=O)O)=CC=C1 BB12-2587 [0,1,0,0,1,0|1,0,0]=3
24  B12R1.226  NC1=CC=CC(CCC(=O)O)=C1 BB12-2907 [0,1,0,0,1,0|0,0,0]=2
25  B12R1.226  O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [0,1,0,0,1,0|0,0,2]=4
26  B12R1.226  O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [0,1,0,0,1,0|0,0,2]=4
27  B14R1.677  O=C(O)CCSCC1=CC=C(F)C=C1 BB12-2752 [0,1,0,0,0,1|0,0,0]=2
28  B14R1.96  COC1=C(CCNC(C)=O)C=CC=C1 BB20-4656 [0,2,0,0,0,0|2,0,0]=4
29  B14R1.520  NCCC(=O)NCCC1=CC=CC=C1 BB53-1852 [0,2,0,0,0,0|2,0,0]=4
30  B12R2.2  C1=CC=C(C2CCCN2)C=C1 BB01-4666 [1,0,0,1,0,0|1,0,1]=4
31  B12R2.41  C1=CC2=C(C=C1)OCCCO2 BB53-1823 [1,0,0,1,0,0|1,0,1]=4
32  B12R2.24  O=C1CSC2=CC=CC=C2N1 BB20-4697 [0,0,0,1,1,0|2,0,0]=4
33  B14R2.2  O=C(O)CC1=CNC2=CC=CC=C12 BB56-1705 [0,0,0,1,0,1|0,0,2]=4
34  B14R2.764  O=C(O)C1CN1CC2=CC=CC=C2 BB17-0161 [0,0,0,1,0,1|0,0,0]=2
35  B14R2.768  O=C(O)CN1C=C2C=CC=CC2=N1 BB12-3277 [0,1,0,1,0,0|1,0,1]=4
36  B14R2.768  O=C(O)CN1N=C2C=CC=CC2=N1 BB12-2058 [0,1,0,1,0,0|2,0,0]=4