0  B11R1.53  CNC1=NC=CC=C1C(=O)O BB12-3552 [0,0,0,0,0,0|3,0,0]=3
1  B11R1.53  CNC1=NC=CC=C1[N+](=O)[O-] BB12-3019 [0,0,0,0,0,0|4,0,0]=4
2  B11R1.53  NCC1=C(C(N)=O)C=CC=C1 BB12-1453 [0,0,0,0,0,0|4,0,0]=4
3  B10R1.20  COC1=NC=CC=C1CN BB53-1722 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.61  O=C(Cl)C1=C(Cl)N=CC=C1 BB12-3503 [1,0,0,0,0,0|3,0,0]=4
5  B12R1.261  CN(C)C1=NC=CC=C1C(=O)O BB12-3630 [0,1,0,0,0,0|3,0,0]=4
6  B10R1.39  CCC1=C(C(=O)O)NC=N1 BB90-0012 [0,0,0,0,1,0|1,0,1]=3
7  B10R1.39  CCC1=C(C(=O)O)SN=N1 BB26-0656 [0,0,0,0,1,0|3,0,0]=4
8  B10R1.39  CCN1N=CC=C1C(=O)Cl BB55-3860 [0,0,0,0,1,0|2,0,0]=3
9  B12R1.75  COC1=C(NC(C)=O)C=CC=C1 BB12-5051 [0,0,0,0,0,1|3,0,0]=4
10  B9R1.15  CNC1=NC=CN=C1Cl BB12-1107 [2,0,0,0,0,0|2,0,0]=4
11  B9R1.15  COC1=CC=CN=C1C BB17-0165 [2,0,0,0,0,0|2,0,0]=4
12  B9R1.15  O=CC1=CC=CN=C1Br BB56-0225 [2,0,0,0,0,0|2,0,0]=4
13  B9R1.6  NC(=S)C1=NC=CN=C1 BB12-3484 [2,0,0,0,0,0|1,1,0]=4
14  B11R1.166  CC(=O)C1=CNC(=O)N=C1C BB53-1707 [1,1,0,0,0,0|2,0,0]=4
15  B11R1.222  COC(=O)C1=NC=CC=C1O BB17-0205 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.49  CCC1=C(C(=O)O)N=C(Br)S1 BB26-0183 [0,1,0,0,1,0|2,0,0]=4
17  B11R1.49  CCC1=C(C(=O)O)N=C(C)S1 BB26-0198 [0,1,0,0,1,0|2,0,0]=4
18  B11R1.49  CCC1=C(C(=O)O)N=C(Cl)S1 BB26-0180 [0,1,0,0,1,0|2,0,0]=4
19  B11R1.49  CCC1=C(C(=O)O)SC(C)=N1 BB12-3625 [0,1,0,0,1,0|2,0,0]=4
20  B11R1.59  CCN1N=CC=C1C(=O)NN BB55-3818 [0,1,0,0,1,0|2,0,0]=4
21  B11R1.178  CC(C)C1=C(C(=O)O)N=CS1 BB26-0191 [0,1,0,0,1,0|2,0,0]=4
22  B11R1.471  CCC1=NOC(C)=C1C(=O)O BB55-3809 [0,1,0,0,1,0|2,0,0]=4
23  B11R1.471  CCN1N=CC(Cl)=C1C(=O)Cl BB55-4164 [0,1,0,0,1,0|2,0,0]=4
24  B13R2.581  CCC1=C2NC(=O)CC2=CC=C1 BB17-0212 [0,0,0,1,0,1|2,0,0]=4
25  B13R2.5179  NC1=NC2=C(C=N1)C(=O)CCC2 BB12-3855 [0,1,0,1,0,0|2,0,0]=4
26  B9R1.41  CC1=C(C(=O)O)N=CN1 BB12-2055 [1,0,0,0,1,0|1,0,1]=4
27  B9R1.41  CC1=C(C(=O)O)N=CS1 BB26-0189 [1,0,0,0,1,0|2,0,0]=4
28  B9R1.41  CC1=C(C(=O)O)SC=N1 BB12-3519 [1,0,0,0,1,0|2,0,0]=4