0  B12R1.16  CCOC(=O)C1=CC=C(C=C1)N S4210 [0,0,0,0,0,0|0,0,0]=0
1  B12R1.16  CCOC(=O)C1=CC=C(C=C1)N S4669 [0,0,0,0,0,0|0,0,0]=0
2  B12R1.16  CCOC(=O)C1=CC=C(C=C1)N S4669 [0,0,0,0,0,0|0,0,0]=0
3  B12R1.16  CCOC(=O)C1=CC=C(C=C1)O S4525 [0,0,0,0,0,0|1,0,0]=1
4  B12R1.16  CCOC(=O)C1=CC=C(C=C1)O S4525 [0,0,0,0,0,0|1,0,0]=1
5  B11R1.16  C1=CC(=CN=C1)C(=O)NCO S5390 [1,0,0,0,0,0|3,0,0]=4
6  B11R1.22  C1=CC(=CC=C1C(=O)CBr)O S3696 [1,0,0,0,0,0|2,0,0]=3
7  B11R1.22  C1=CC(=CC=C1C(=O)CBr)O S3696 [1,0,0,0,0,0|2,0,0]=3
8  B11R1.22  CCC(=O)C1=CC=C(C=C1)O S5396 [1,0,0,0,0,0|1,0,0]=2
9  B11R1.22  COC(=O)C1=CC=C(C=C1)O S3985 [1,0,0,0,0,0|1,0,0]=2
10  B13R1.17  C1=CC(=NC=C1Cl)C(=O)NCCN S6422 [0,1,0,0,0,0|3,0,0]=4
11  B13R1.17  C1=CC(=NC=C1Cl)C(=O)NCCN S6422 [0,1,0,0,0,0|3,0,0]=4
12  B13R1.17  CCCOC(=O)C1=CC=C(C=C1)O S5405 [0,1,0,0,0,0|1,0,0]=2
13  B13R1.466  CNCC(=O)C1=CC(=C(C=C1)O)O S3185 [0,1,0,0,0,0|3,0,0]=4
14  B13R1.466  CNCC(=O)C1=CC(=C(C=C1)O)O S3185 [0,1,0,0,0,0|3,0,0]=4
15  B10R1.17  C1=CC=C(C=C1)C=CCO S5824 [2,0,0,0,0,0|2,0,0]=4
16  B10R1.15  COC(=O)C1=CC=CC=N1 S6317 [2,0,0,0,0,0|1,0,0]=3
17  B10R1.15  COC(=O)C1=CN=CC=C1 S6231 [2,0,0,0,0,0|1,0,0]=3
18  B10R1.13  C1=CC(=CC=C1C(=O)O)N S4510 [2,0,0,0,0,0|0,0,0]=2
19  B10R1.13  C1=CC(=CC=C1C(=O)O)N S4510 [2,0,0,0,0,0|0,0,0]=2
20  B10R1.13  C1=CC(=CC=C1C(=O)O)O S3754 [2,0,0,0,0,0|1,0,0]=3
21  B10R1.13  C1=CC(=O)NC=C1C(=O)O S6285 [2,0,0,0,0,0|2,0,0]=4
22  B12R1.17  CCOC(=O)C1=CC(=CC=C1)N S3682 [1,1,0,0,0,0|0,0,0]=2
23  B12R1.5  COC1=CC=C(C=C1)C(=O)CBr S3678 [1,1,0,0,0,0|2,0,0]=4
24  B12R1.367  COC(=O)C1=CC(=C(C=C1)O)O S3869 [1,1,0,0,0,0|1,0,0]=3
25  B14R1.19  CCCCOC(=O)C1=CC=C(C=C1)N S4583 [0,2,0,0,0,0|0,0,0]=2
26  B14R1.19  CCCCOC(=O)C1=CC=C(C=C1)N S4583 [0,2,0,0,0,0|0,0,0]=2
27  B14R1.19  CCCCOC(=O)C1=CC=C(C=C1)O S4584 [0,2,0,0,0,0|1,0,0]=3
28  B14R1.19  CCCCOC(=O)C1=CC=C(C=C1)O S4584 [0,2,0,0,0,0|1,0,0]=3
29  B14R1.678  C1=CC(=CC=C1C(=O)NCC(=O)O)N S2883 [0,2,0,0,0,0|1,0,1]=4
30  B14R1.678  C1=CC(=CC=C1C(=O)NCC(=O)O)N S2883 [0,2,0,0,0,0|1,0,1]=4
31  B14R1.678  C1=CC(=CC=C1C(=O)NCC(=O)[O-])N S4414 [0,2,0,0,0,0|1,0,1]=4
32  B14R1.678  C1=CC(=CC=C1C(=O)NCC(=O)[O-])N S4414 [0,2,0,0,0,0|1,0,1]=4
33  B14R1.678  C1=CC(=CC=C1C(=O)NCC(=O)[O-])N S4414 [0,2,0,0,0,0|1,0,1]=4
34  B14R1.626  CCOC(=O)C1=CC(=C(C=C1)O)OC S3993 [0,2,0,0,0,0|1,0,0]=3
35  B14R1.6821  CCOC(=O)C1=CC(=C(C(=C1)O)O)O S5550 [0,2,0,0,0,0|1,0,0]=3
36  B14R1.18811  CCOC(=O)C1=C(C=C(C=C1C)O)O S5128 [0,2,0,0,0,0|1,0,0]=3
37  B12R2.1081  C1=CC=C2C(=C1)C(=O)O[Bi]O2 S4032 [1,0,0,1,0,0|2,0,0]=4
38  B14R1.502  CCOC(=O)C=CC1=CC=C(C=C1)O S5834 [0,0,0,0,0,2|1,0,0]=3