0  B13R1.464  CCOC(=O)C1=CC=CN=C1NN BB57-2450 [1,0,0,0,0,0|3,0,0]=4
1  B13R1.547  CCC(=O)C1=CC=CC=C1C(=O)O BB57-6520 [1,0,0,0,0,0|0,0,0]=1
2  B13R1.572  NCCSC1=CC=CC=C1C(=O)O BB01-1684 [1,0,0,0,0,0|3,0,0]=4
3  B15R1.3598  CCCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 BB55-8827 [0,1,0,0,0,0|2,0,0]=3
4  B15R1.1274  CC(=O)C1=CC=CC=C1NC(=O)CCCl BB55-2933 [0,0,0,0,0,1|3,0,0]=4
5  B12R1.77  CCC(=O)C1=C(OC)C=CC=C1 BB54-5278 [2,0,0,0,0,0|2,0,0]=4
6  B12R1.77  COC(=O)C1=CC=CC=C1CBr BB57-2114 [2,0,0,0,0,0|1,0,1]=4
7  B12R1.121  CCCOC1=CC=CC=C1C=O BB54-0099 [2,0,0,0,0,0|2,0,0]=4
8  B12R1.308  CCOC(=N)C1=CC=CNC1=O BB57-4242 [2,0,0,0,0,0|2,0,0]=4
9  B12R1.308  CCOC(=O)C1=C(O)N=CN=C1 BB12-4373 [2,0,0,0,0,0|2,0,0]=4
10  B12R1.308  CCOC(=O)C1=CN=CNC1=O BB10-0383 [2,0,0,0,0,0|2,0,0]=4
11  B12R1.283  CCNC1=CC=CC=C1C(=O)O BB58-4356 [2,0,0,0,0,0|1,0,0]=3
12  B12R1.283  CNCC1=C(C(=O)O)C=CC=C1 BB58-3692 [2,0,0,0,0,0|1,0,1]=4
13  B14R1.317  CCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 BB55-4672 [1,1,0,0,0,0|1,0,0]=3
14  B14R1.429  O=C(O)C(=O)C1=CC=CC=C1C(=O)O BB58-0057 [1,1,0,0,0,0|1,0,1]=4
15  B14R1.746  CO[13C](=O)C1=CC=CC=C1[13C](=O)OC BB54-5662 [1,1,0,0,0,0|0,0,0]=2
16  B14R1.615  CCOC(=O)C1=CN(C)N=C1C(=O)O BB05-3635 [0,1,0,0,1,0|2,0,0]=4
17  B16R1.6775  CCCCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 BB55-4673 [0,2,0,0,0,0|2,0,0]=4
18  B16R1.6775  COCCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 BB55-4674 [0,2,0,0,0,0|2,0,0]=4
19  B14R1.468  CCOC1=CC(\C=C\C(=O)O)=CC=C1 BB56-0361 [0,0,1,1,0,0|1,0,0]=3
20  B14R2.4  CN1C=CC2=C(C(=O)O)C=CC=C21 BB53-1592 [1,0,0,1,0,0|2,0,0]=4
21  B14R2.31359  O=C(O)C1=C2NCCCC2=CC=C1 BB52-6766 [1,0,0,1,0,0|2,0,0]=4
22  B16R2.3033  O=C(O)C1=C(N2CCCC2=O)C=CC=C1 BB54-3803 [0,0,0,1,0,1|1,0,0]=3
23  B16R2.119700  CCOC1=CC=C(C=O)C2=CC=CC=C12 BB17-1160 [0,1,0,1,0,0|2,0,0]=4
24  B12R1.316  CCOC(=O)C1=NNC=C1C=O BB57-0282 [1,0,0,0,1,0|2,0,0]=4
25  B14R1.744  COC(=O)C1=C(NC(C)=O)C=CC=C1 BB17-2627 [1,0,0,0,0,1|1,0,0]=3