0  B13R1.547  CCC(=O)C1=CC=CC=C1C(=O)O BB57-6520 [0,0,0,0,0,0|4,0,0]=4
1  B12R1.77  CCC(=O)C1=C(OC)C=CC=C1 BB54-5278 [1,0,0,0,0,0|2,0,0]=3
2  B12R1.77  COC(=O)C1=CC=CC=C1CBr BB57-2114 [1,0,0,0,0,0|2,0,0]=3
3  B12R1.261  CC(=O)C1=CC=CN=C1N(C)C BB57-4156 [1,0,0,0,0,0|1,0,0]=2
4  B12R1.261  CN(C)C1=NC=CC=C1C(=O)O BB12-3630 [1,0,0,0,0,0|1,0,0]=2
5  B12R1.261  CN(C)C1=NC=CC=C1[N+](=O)[O-] BB12-1631 [1,0,0,0,0,0|2,0,1]=4
6  B14R1.746  CO[13C](=O)C1=CC=CC=C1[13C](=O)OC BB54-5662 [0,1,0,0,0,0|2,0,0]=3
7  B12R1.368  COC(=O)C1=CC=NN1C(C)C BB05-3496 [0,0,0,0,1,0|3,0,0]=4
8  B14R1.744  COC(=O)C1=C(NC(C)=O)C=CC=C1 BB17-2627 [0,0,0,0,0,1|2,0,0]=3
9  B14R1.3302  CC(C)C1=CC=CC=C1NC(=O)CBr BB17-0241 [0,0,0,0,0,1|3,0,0]=4
10  B14R1.3302  CC(C)C1=CC=CC=C1NC(=O)CN BB57-6435 [0,0,0,0,0,1|3,0,0]=4
11  B11R1.41  CCOC1=C(NC)C=CC=C1 BB01-7289 [2,0,0,0,0,0|2,0,0]=4
12  B11R1.53  CN(C)C1=NC=CC=C1C=O BB57-4155 [2,0,0,0,0,0|1,0,0]=3
13  B11R1.53  CNC1=CC=CC=C1[N+](=O)[O-] BB12-2791 [2,0,0,0,0,0|1,0,1]=4
14  B11R1.53  CNC1=NC=CC=C1C(=O)O BB12-3552 [2,0,0,0,0,0|1,0,0]=3
15  B11R1.53  COC1=CC=CC=C1C(C)N BB58-0606 [2,0,0,0,0,0|2,0,0]=4
16  B11R1.53  NCC1=CC=CC=C1C(=O)O BB54-2018 [2,0,0,0,0,0|2,0,0]=4
17  B11R1.53  NNC1=CC=CC=C1C(=O)O BB12-2554 [2,0,0,0,0,0|1,0,0]=3
18  B11R1.53  O=[IH2]C1=CC=CC=C1C(=O)O BB58-3100 [2,0,0,0,0,0|2,0,0]=4
19  B11R1.222  COC(=O)C1=C(S)C=CC=C1 BB12-1508 [2,0,0,0,0,0|1,0,0]=3
20  B11R1.222  COC(=O)C1=NC=CC=C1O BB17-0205 [2,0,0,0,0,0|2,0,0]=4
21  B13R1.464  CCOC(=O)C1=CC=CN=C1NN BB57-2450 [1,1,0,0,0,0|2,0,0]=4
22  B13R1.2357  COC(=O)C1=C(OC)C=CC=C1C BB57-2069 [1,1,0,0,0,0|1,0,0]=3
23  B13R1.572  CCNCC1=C(N(C)C)C=CC=C1 BB57-1492 [1,1,0,0,0,0|1,0,1]=4
24  B13R1.1814  COC(=O)C1=C(N)SC=C1C(C)C BB57-4086 [0,1,0,0,1,0|2,0,0]=4
25  B15R1.38509  COC(=O)C1=CC=CC(N)=C1C(=O)OC BB57-6531 [0,2,0,0,0,0|2,0,0]=4
26  B13R2.32  NN1CNC2=CC=CC=C2C1=O BB17-1096 [1,0,0,1,0,0|2,0,0]=4
27  B13R2.3085  CN1C(=O)C(=O)C2=CC=CC=C21 BB12-1449 [1,0,0,1,0,0|2,0,0]=4
28  B15R2.24965  CN(C)N1C(=O)C(=O)C2=C1C=CC=C2 BB12-4408 [0,0,0,1,0,1|2,0,0]=4
29  B15R2.23388  COC(=O)C1=CN(C)C2=C1C=CC=C2 BB05-0943 [0,0,0,1,0,1|0,0,1]=3
30  B15R2.7340  CN1C(=O)CNC(=O)C2=CC=CC=C21 BB12-4119 [0,1,0,1,0,0|1,0,1]=4
31  B15R2.9032  CN1C(=O)C2=CC=CC=C2N(C)C1=O BB01-2273 [0,1,0,1,0,0|1,0,1]=4