0  B10R1.66  C1=C(NC=N1)C=CC(=O)O S9449 [0,0,0,0,0,0|3,0,0]=3
1  B10R1.66  CC(=O)OCC1=CC=CO1 S5831 [0,0,0,0,0,0|1,0,1]=2
2  B11R2.36  C1=CC2=C(C=CN2)C=C1Br S5439 [0,0,0,1,0,0|2,0,1]=4
3  B11R1.91  C1=CC=C(C=C1)C=CC(=O)O S3677 [0,0,0,0,0,1|2,0,0]=3
4  B11R1.91  CC(=O)CCC1=CC=CC=C1 S9376 [0,0,0,0,0,1|1,0,2]=4
5  B11R1.91  CC(=O)OCC1=CC=CC=C1 S5576 [0,0,0,0,0,1|2,0,1]=4
6  B12R1.21  C1=CC(=CC=C1C=CC(=O)O)O S4759 [0,1,0,0,0,1|2,0,0]=4
7  B12R1.21  C1=CC(=CC=C1C=CC(=O)O)O S9564 [0,1,0,0,0,1|2,0,0]=4
8  B12R1.27  COC(=O)C=CC1=CC=CC=C1 S6221 [0,1,0,0,0,1|1,0,0]=3
9  B12R1.226  C1=CC(=CC(=C1)O)C=CC(=O)O S5586 [0,1,0,0,0,1|2,0,0]=4
10  B10R1.61  C1=CC(=C(N=C1)C(=O)O)O S6252 [0,0,1,1,0,0|2,0,0]=4
11  B10R1.61  C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,0,1,1,0,0|2,0,0]=4
12  B10R1.61  C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,0,1,1,0,0|2,0,0]=4
13  B10R1.61  C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,0,1,1,0,0|2,0,0]=4
14  B10R1.61  C1=CC=C(C(=C1)C(=O)N)O S6404 [0,0,1,1,0,0|1,0,0]=3
15  B10R1.61  C1=CC=C(C(=C1)C(=O)O)O S4539 [0,0,1,1,0,0|1,0,0]=3
16  B10R1.61  C1=CC=C(C(=C1)C(=O)O)O S4539 [0,0,1,1,0,0|1,0,0]=3
17  B10R1.61  C1=CC=C(C(=C1)C(=O)[O-])O S3137 [0,0,1,1,0,0|1,0,0]=3
18  B10R1.61  C1=CC=C(C(=C1)C(=O)[O-])O S3137 [0,0,1,1,0,0|1,0,0]=3
19  B10R1.61  CC(=O)C1=CC=CC=C1O S9375 [0,0,1,1,0,0|0,0,0]=2
20  B10R1.61  CC1=CC=CC=C1C(=O)O S6217 [0,0,1,1,0,0|2,0,0]=4
21  B10R1.113  C1=CC(=CC(=C1)N)C(=O)N S1132 [0,0,1,1,0,0|2,0,0]=4
22  B10R1.113  C1=CC(=CC(=C1)N)C(=O)N S1132 [0,0,1,1,0,0|2,0,0]=4
23  B10R1.113  C1=CC(=CC(=C1)N)C(=O)N S1132 [0,0,1,1,0,0|2,0,0]=4
24  B10R1.113  C1=CC(=CC(=C1)N)C(=O)N S1132 [0,0,1,1,0,0|2,0,0]=4
25  B10R1.113  C1=CC(=CC(=C1)O)C(=O)O S6367 [0,0,1,1,0,0|1,0,0]=3
26  B10R2.7  C1=CC=C2C(=C1)C=CN2 S6358 [1,0,0,1,0,0|1,0,1]=4
27  B12R2.24  C1=CC=C2C(=C1)C=CC(=O)O2 S4170 [0,0,0,1,0,1|2,0,0]=4
28  B8R1.7  C1=CNC(=C1)C(=O)O S5832 [0,0,0,0,2,0|2,0,0]=4
29  B8R1.7  C1=COC(=C1)C(=O)O S4864 [0,0,0,0,2,0|1,0,0]=3
30  B10R1.17  C1=CC=C(C=C1)C=CC=O S3763 [1,0,0,0,0,1|1,0,0]=3