0  B5R0.1  C=CC[N+](=O)[O-] 4236 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  COC[C@@H](C)N 3696 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.1  O=C(O)\C=N\O 1812 [0,0,0,0,0,0|3,0,0]=3
3  B6R0.3  CC[C@H](O)C(=O)O 3680 [0,1,0,0,0,0|1,0,2]=4
4  B6R0.4  O=C(O)\C=C\CO 3677 [0,1,0,0,0,0|1,0,0]=2
5  B6R1.2  CC1=COC=N1 3117 [0,0,0,1,0,0|2,0,1]=4
6  B6R1.2  N=C1CCCS1 2998 [0,0,0,1,0,0|2,0,1]=4
7  B5R0.3  C=C[C@@H](O)CO 4518 [1,1,0,0,0,0|0,0,2]=4
8  B5R0.3  CNC(=O)NN 657 [1,1,0,0,0,0|2,0,0]=4
9  B7R0.3  CCC(=O)\C=C\C=O 4517 [0,2,0,0,0,0|0,0,1]=3
10  B7R0.10  C=C(CBr)C(=O)OC 1082 [0,2,0,0,0,0|1,0,1]=4
11  B7R1.19  CC(=O)C1(Cl)CC1 1907 [0,1,0,1,0,0|0,0,2]=4