0  B12R2.252  O=C(O)C1=CC2=C(C=CO2)N1 BB56-1783 [0,0,0,0,0,0|0,1,0]=1
1  B12R2.252  O=C(O)C1=CC2=C(CCC2)S1 BB12-1787 [0,0,0,0,0,0|2,0,2]=4
2  B13R2.400  CC1=CC2=C(C=C(C(=O)O)N2)O1 BB56-1784 [0,1,0,0,0,0|0,1,0]=2
3  B13R2.400  CC1=CC2=C(C=C(C(=O)O)N2)S1 BB56-2140 [0,1,0,0,0,0|0,0,0]=1
4  B13R2.531  COC(=O)C1=CC2=C(N1)SC=C2 BB01-2516 [0,1,0,0,0,0|2,0,0]=3
5  B13R2.2334  CN1C(C(=O)O)=CC2=C1C=CS2 BB90-0053 [0,1,0,0,0,0|0,0,0]=1
6  B13R2.430  NC(=O)C1=CC=C2C=CNC2=C1 BB17-1861 [0,0,0,0,0,1|3,0,0]=4
7  B13R2.430  O=C(O)C1=CC=C2C=NNC2=C1 BB01-2605 [0,0,0,0,0,1|3,0,0]=4
8  B13R2.430  O=C(O)C1=CC=C2N=CNC2=C1 BB12-2808 [0,0,0,0,0,1|3,0,0]=4
9  B13R2.435  CC(=O)C1=CC2=CC=CC=C2N1 BB12-3811 [0,0,0,0,0,1|2,0,0]=3
10  B13R2.435  O=C(O)C1=CN2C=CC=CC2=N1 BB12-2951 [0,0,0,0,0,1|2,0,1]=4
11  B13R2.435  O=C(O)C1=NC2=CC=CC=C2O1 BB12-1678 [0,0,0,0,0,1|2,0,1]=4
12  B13R2.435  O=C(O)C1=NC2=CC=CN=C2N1 BB12-3038 [0,0,0,0,0,1|2,0,0]=3
13  B10R1.27  C\C(C=O)=C/C1=CC=CO1 BB17-1881 [1,0,1,0,0,0|1,1,0]=4
14  B10R1.66  CC(=O)\C=C\C1=CC=CO1 BB12-2961 [1,0,1,0,0,0|1,1,0]=4
15  B14R2.601  CC1=CC2=CC(C(=O)O)=CC=C2O1 BB12-1983 [0,1,0,0,0,1|1,1,0]=4
16  B14R2.601  NC1=NC2=CC=C(C(=O)O)C=C2S1 BB56-0890 [0,1,0,0,0,1|2,0,0]=4
17  B14R2.5719  CN1C=CC2=CC(C(=O)O)=CC=C21 BB53-1591 [0,1,0,0,0,1|2,0,0]=4
18  B14R2.450  O=C(O)C1=C(Cl)C2=CC=CC=C2N1 BB12-2295 [0,1,0,0,0,1|1,0,0]=3
19  B14R2.972  COC(=O)C1=CC2=CC=CN=C2N1 BB11-0045 [0,1,0,0,0,1|1,0,0]=3
20  B14R2.4529  CC1=CC2=C(C=C1)N=C(C(=O)O)N2 BB12-2742 [0,1,0,0,0,1|2,0,0]=4
21  B14R2.4529  CC1=CC=C2C=C(C(=O)O)NC2=C1 BB56-1149 [0,1,0,0,0,1|1,0,0]=3
22  B14R2.4529  CC1=CC=C2NC(C(=O)O)=CC2=C1 BB01-5002 [0,1,0,0,0,1|1,0,0]=3
23  B14R2.4529  O=C(O)C1=CC2=CC(F)=CC=C2N1 BB20-4570 [0,1,0,0,0,1|1,0,0]=3
24  B14R2.4529  O=C(O)C1=CC2=CC=C(Cl)C=C2N1 BB56-0738 [0,1,0,0,0,1|1,0,0]=3
25  B14R2.4529  O=C(O)C1=CC2=CC=C(F)C=C2N1 BB56-0739 [0,1,0,0,0,1|1,0,0]=3
26  B14R2.4529  O=C(O)C1=CC2=CC=C(F)C=C2S1 BB56-1661 [0,1,0,0,0,1|2,0,0]=4
27  B14R2.4529  O=C(O)C1=CC2=CC=C(I)C=C2N1 BB56-1734 [0,1,0,0,0,1|1,0,0]=3
28  B14R2.7969  CC1=C2C=C(C(=O)O)NC2=CC=C1 BB56-0399 [0,1,0,0,0,1|1,0,0]=3
29  B14R2.7969  O=C(O)C1=CC2=C(Br)C=CC=C2N1 BB56-0695 [0,1,0,0,0,1|1,0,0]=3
30  B14R2.7969  O=C(O)C1=CC2=C(C=CC=C2Cl)S1 BB26-0840 [0,1,0,0,0,1|2,0,0]=4
31  B14R2.7969  O=C(O)C1=CC2=C(F)C=CC=C2N1 BB56-1354 [0,1,0,0,0,1|1,0,0]=3
32  B14R2.839  CCOC(=O)C1=CC2=C(N1)SC=C2 BB01-2519 [0,2,0,0,0,0|2,0,0]=4
33  B14R2.4281  CCN1C(C(=O)O)=CC2=C1C=CS2 BB90-0054 [0,2,0,0,0,0|0,0,0]=2
34  B10R1.23  NC(C(=O)O)C1=CC=CS1 BB56-0352 [0,0,1,0,1,0|0,0,1]=3
35  B12R1.125  CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [0,0,1,0,0,1|2,0,0]=4
36  B12R1.226  O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [0,0,1,0,0,1|2,0,0]=4
37  B12R1.226  O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [0,0,1,0,0,1|2,0,0]=4