0  B3R0.1  COCCl 1789 [1,0,0,0,0,0|2,0,0]=3
1  B5R0.1  C=CC[N+](=O)[O-] 4236 [0,1,0,0,0,0|2,0,1]=4
2  B5R0.1  COC[C@@H](C)N 3696 [0,1,0,0,0,0|1,0,1]=3
3  B5R0.1  O=C(O)\C=N\O 1812 [0,1,0,0,0,0|2,0,1]=4
4  B5R0.3  CNC(=O)NN 657 [0,1,0,0,0,0|2,0,0]=3
5  B6R0.1  C[C@@H](CO)CCO 4679 [0,2,0,0,0,0|0,0,2]=4
6  B6R0.3  C#CC(=O)C(C)C 1200 [0,2,0,0,0,0|0,0,1]=3
7  B6R0.3  CC(CO)C(=O)[O-] 4034 [0,2,0,0,0,0|1,0,0]=3
8  B6R0.3  CC[C@H](O)C(=O)O 3680 [0,2,0,0,0,0|1,0,0]=3
9  B6R0.3  NC(=O)[C@H](N)CS 361 [0,2,0,0,0,0|1,0,0]=3
10  B6R0.3  O=C(O)[C@@H](O)CO 3697 [0,2,0,0,0,0|1,0,0]=3
11  B6R0.4  O=C(O)\C=C\CO 3677 [0,2,0,0,0,0|1,0,1]=4
12  B6R0.8  CSC(C)(C)C=O 1908 [0,2,0,0,0,0|1,0,1]=4
13  B6R0.7  CC(C)(C)C(N)=O 213 [0,2,0,0,0,0|1,0,0]=3
14  B6R1.2  N=C1CCCS1 2998 [0,1,0,1,0,0|1,0,0]=3