0  B7R0.4  CCCCN[N+](=O)[O-] 180041 [0,0,0,0,0,0|2,0,2]=4
1  B7R0.4  CCCCOC(C)=O 101599 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.4  COCCCC(=O)O 234024 [0,0,0,0,0,0|1,0,2]=3
3  B6R0.4  CCCCS(=O)[O-] 044582 [1,0,0,0,0,0|1,0,2]=4
4  B6R0.4  COCNC(N)=O 101307 [1,0,0,0,0,0|3,0,0]=4
5  B6R0.4  NCCCC(N)=O 373559 [1,0,0,0,0,0|2,0,1]=4
6  B8R1.7  O=C(Cl)N1CCCC1 099986 [0,0,0,1,0,0|2,0,1]=4
7  B8R1.7  O=C(O)C1C=CCO1 040022 [0,0,0,1,0,0|1,0,2]=4
8  B5R0.1  CCCS(=O)[O-] 035598 [2,0,0,0,0,0|1,0,1]=4
9  B5R0.1  NC(=O)\C=C\Cl 180013 [2,0,0,0,0,0|2,0,0]=4
10  B5R0.1  O=C(O)\C=C\Cl 180014 [2,0,0,0,0,0|1,0,0]=3
11  B5R0.2  C=CCCCCl 097807 [2,0,0,0,0,0|1,0,1]=4
12  B5R0.2  CC\C=C\CBr 104983 [2,0,0,0,0,0|1,0,1]=4
13  B9R0.24  CCC(C)SCC(=O)OC 098287 [0,2,0,0,0,0|1,0,1]=4
14  B9R0.46  CCCCSCC(=O)OC 098267 [0,2,0,0,0,0|0,0,2]=4
15  B9R0.46  COCCSCC(=O)OC 102096 [0,2,0,0,0,0|1,0,1]=4
16  B7R1.2  CC1COC(=O)O1 102084 [1,0,0,1,0,0|1,0,0]=3
17  B7R1.12  O=C(O)[C@H]1C[C@@H]1F 037362 [1,0,0,1,0,0|1,0,1]=4
18  B9R1.7  CCCC1=NC=C(Br)N1 312919 [0,1,0,1,0,0|2,0,0]=4
19  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O 104319 [0,1,0,1,0,0|0,0,2]=4
20  B9R1.41  O=C(O)[C@H]1NCC[C@@H]1O 097769 [0,1,0,1,0,0|1,0,1]=4
21  B9R1.35  O=C(O)[C@@H]1C[C@@H](F)CN1 222603 [0,1,0,1,0,0|1,0,1]=4
22  B9R1.163  O=C(O)C1(Br)CCCC1 075502 [0,1,0,1,0,0|0,0,2]=4