0  B13R1.547  CNC(=O)C1=NC=CN=C1C(=O)O BBL036595 [1,0,0,0,0,0|3,0,0]=4
1  B13R1.547  COC(=O)C1=NC=CN=C1C(=O)O BBL036596 [1,0,0,0,0,0|2,0,0]=3
2  B13R1.572  CCCSC1=C(C(=O)O)C=CC=C1 BBL000368 [1,0,0,0,0,0|2,0,0]=3
3  B13R1.572  CCNCC1=C(C(=O)O)C=CC=C1 BBL000348 [1,0,0,0,0,0|1,0,1]=3
4  B15R2.1221  O=C(O)C1=CC=CC=C1C2=CC=CO2 BBL000119 [0,0,0,1,0,0|1,0,2]=4
5  B15R1.1274  CC(=O)C1=CC=CC=C1NC(=O)CCCl BBL017794 [0,0,0,0,0,1|3,0,0]=4
6  B15R1.1274  CCOC(=O)NC1=CC=CN=C1[N+](=O)[O-] BBL036754 [0,0,0,0,0,1|2,0,1]=4
7  B12R1.77  CNC1=CC=CC=C1C(=O)OC BBL027832 [2,0,0,0,0,0|2,0,0]=4
8  B12R1.77  COC(=O)C1=CC=CC=C1OC BBL010503 [2,0,0,0,0,0|2,0,0]=4
9  B12R1.121  CCCOC1=CC=CC=C1C=O BBL022916 [2,0,0,0,0,0|2,0,0]=4
10  B12R1.308  CCOC(=O)C1=CC=CC=C1N BBL027654 [2,0,0,0,0,0|1,0,0]=3
11  B12R1.261  NC(=O)C1=C(C(N)=O)C=CC=C1 BBL011578 [2,0,0,0,0,0|2,0,0]=4
12  B12R1.261  O=C(O)C1=C(C(=O)O)C=NC=C1 BBL010076 [2,0,0,0,0,0|1,0,0]=3
13  B12R1.261  O=C(O)C1=CC=CN=C1C(=O)O BBL007601 [2,0,0,0,0,0|1,0,0]=3
14  B12R1.261  O=C(O)C1=NC=CN=C1C(=O)O BBL010075 [2,0,0,0,0,0|2,0,0]=4
15  B12R1.261  O=C([O-])C1=C(C(=O)[O-])C=CC=C1 BBL002898 [2,0,0,0,0,0|0,0,2]=4
16  B12R1.283  CCOC1=NC=CC=C1C(=O)O BBL000650 [2,0,0,0,0,0|1,0,0]=3
17  B12R1.283  CCSC1=C(C(=O)O)C=CC=C1 BBL000357 [2,0,0,0,0,0|0,1,0]=3
18  B14R1.263  CCOC(=O)C1=CC=CC=C1N=C=S BBL010007 [1,1,0,0,0,0|0,1,1]=4
19  B14R1.317  CCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 BBL003711 [1,1,0,0,0,0|1,0,0]=3
20  B14R1.745  COC(=O)C1=C(S(N)(=O)=O)C=CC=C1 BBL004027 [1,1,0,0,0,0|1,0,1]=4
21  B14R1.67  CCCOC1=CC=C(Br)C=C1C(=O)O BBL014093 [1,1,0,0,0,0|2,0,0]=4
22  B14R1.67  CCCOC1=CC=C(Cl)C=C1C(=O)O BBL014095 [1,1,0,0,0,0|2,0,0]=4
23  B14R1.903  CCCCOC1=CC=CC=C1C(=O)O BBL011966 [1,1,0,0,0,0|1,0,1]=4
24  B14R1.903  CCCCSC1=C(C(=O)O)C=CC=C1 BBL000367 [1,1,0,0,0,0|1,0,1]=4
25  B14R1.903  COCCSC1=C(C(=O)O)C=CC=C1 BBL008485 [1,1,0,0,0,0|2,0,0]=4
26  B16R1.960  CCOC(=O)C1=CC=CC=C1NC(=O)CCl BBL007199 [0,1,0,0,0,1|1,0,0]=3
27  B16R1.14964  CCOC(=O)C1=CC=CC=C1C(=O)OCC BBL011577 [0,2,0,0,0,0|0,0,0]=2
28  B16R1.6775  CCCCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 BBL000396 [0,2,0,0,0,0|2,0,0]=4
29  B16R1.6775  COCCS(=O)(=O)C1=C(C(=O)O)C=CC=C1 BBL000401 [0,2,0,0,0,0|2,0,0]=4
30  B14R1.468  CCOC1=CC=CC(\C=C\C(=O)O)=C1 BBL022449 [0,0,1,1,0,0|1,0,0]=3
31  B14R2.7724  CC1=CC(=O)C2=CC=CC=C2C1=O BBL027351 [1,0,0,1,0,0|1,0,1]=4
32  B14R2.31359  O=C(O)C1=C2NCCCC2=CC=C1 BBL012935 [1,0,0,1,0,0|2,0,0]=4
33  B14R1.744  COC(=O)C1=C(NC(C)=O)C=CC=C1 BBL005358 [1,0,0,0,0,1|1,0,0]=3
34  B14R1.617  CCOC(=O)C1=CC=CC([N+](=O)[O-])=C1 BBL034667 [0,0,0,0,1,1|1,0,1]=4