0  B6R0.3  COC(=O)[C@@H](C)Br 097700 [0,0,0,0,0,0|1,0,0]=1
1  B5R0.1  C\C=N\N(C)C 101274 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.5  C[C@H](N)C(N)=O 094668 [1,0,0,0,0,0|2,0,0]=3
3  B7R0.10  COC(=O)C(Cl)C=O 070635 [0,1,0,0,0,0|1,0,1]=3
4  B7R0.16  CN(C)C(Cl)=[N+](C)C 062232 [0,1,0,0,0,0|3,0,0]=4
5  B7R1.4  CN1CCCC1=O 105571 [0,0,0,1,0,0|2,0,0]=3
6  B7R0.2  CNC(=O)CC(C)C 103448 [0,0,0,0,0,1|1,0,0]=2
7  B4R0.1  CNN(C)C 062215 [2,0,0,0,0,0|2,0,0]=4
8  B4R0.1  O=CC(Cl)Cl 103095 [2,0,0,0,0,0|2,0,0]=4
9  B4R0.1  [2H]OC([2H])=O 102711 [2,0,0,0,0,0|2,0,0]=4
10  B4R0.1  [C-]#[N+]C(C)C 480961 [2,0,0,0,0,0|1,0,1]=4
11  B4R0.2  CC[Zn]CC 105051 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.5  COCC(C)(C)N 044036 [1,1,0,0,0,0|0,0,1]=3
13  B6R0.7  CC(C)(Br)C(=O)Cl 102664 [1,1,0,0,0,0|1,0,0]=3
14  B6R0.7  CC(F)(Br)C(=O)O 075681 [1,1,0,0,0,0|1,0,0]=3
15  B6R0.7  O=C(O)C(F)(F)F 001271 [1,1,0,0,0,0|2,0,0]=4
16  B6R0.7  O=C(O)C(F)(F)F 001271 [1,1,0,0,0,0|2,0,0]=4
17  B6R0.7  O=C(O)C(F)(F)F 001271 [1,1,0,0,0,0|2,0,0]=4
18  B8R0.20  CCC(CC)C(=O)NC 103935 [0,2,0,0,0,0|1,0,0]=3
19  B8R0.20  COC(=O)C(CBr)CBr 212285 [0,2,0,0,0,0|0,0,0]=2
20  B6R1.2  BrC1CCOC1 079615 [1,0,0,1,0,0|1,0,1]=4
21  B6R1.2  CC1CCCO1 105578 [1,0,0,1,0,0|2,0,0]=4
22  B6R1.2  C[C@H]1CCNC1 034511 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.37  CCOC(=O)[C@H]1CO1 104123 [0,1,0,1,0,0|1,0,0]=3
24  B8R1.11  O=C1CCCC1CO 364082 [0,1,0,1,0,0|1,0,0]=3
25  B8R1.38  CNC(=O)C1CCC1 215318 [0,1,0,1,0,0|1,0,0]=3