0  B6R0.3  CCC(C)C(C)N 214338 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.3  CCC(C)S(=O)[O-] 070719 [0,0,0,0,0,0|3,0,0]=3
2  B6R0.3  CCC(N)C(C)C 214340 [0,0,0,0,0,0|2,0,1]=3
3  B6R0.3  CCN(Cl)C(=O)O 105234 [0,0,0,0,0,0|3,0,0]=3
4  B6R0.3  COC(C)C(=O)O 219524 [0,0,0,0,0,0|3,0,0]=3
5  B5R0.1  CCOC(=S)Cl 470560 [1,0,0,0,0,0|2,1,0]=4
6  B5R0.1  CCOC(N)=S 105176 [1,0,0,0,0,0|2,1,0]=4
7  B5R0.1  [2H]C(=O)OCC 105259 [1,0,0,0,0,0|2,0,0]=3
8  B5R0.3  CCC(S)CC 105148 [1,0,0,0,0,0|0,0,1]=2
9  B5R0.5  O=C(Cl)C(F)Cl 104873 [1,0,0,0,0,0|3,0,0]=4
10  B7R0.5  C=CCC(F)C(C)=O 049763 [0,1,0,0,0,0|1,0,1]=3
11  B7R0.5  CCCC(N)C(C)C 214316 [0,1,0,0,0,0|2,0,1]=4
12  B7R0.5  NC(=O)C(Br)CCBr 105247 [0,1,0,0,0,0|2,0,0]=3
13  B7R0.10  COC(=O)C(C)CBr 104870 [0,1,0,0,0,0|2,0,0]=3
14  B7R0.16  CC(=O)C(F)C(C)=O 049764 [0,1,0,0,0,0|1,0,1]=3
15  B4R0.1  [13CH](=O)N(C)C 105188 [2,0,0,0,0,0|2,0,0]=4
16  B4R0.1  [2H]C(=O)OC 105254 [2,0,0,0,0,0|2,0,0]=4
17  B4R0.2  CCN=C=O 386377 [2,0,0,0,0,0|1,0,1]=4
18  B4R0.2  COCC=O 105128 [2,0,0,0,0,0|1,0,0]=3
19  B4R0.2  CSCCBr 472152 [2,0,0,0,0,0|2,0,0]=4
20  B6R0.1  CCOC(=O)OC 075947 [1,1,0,0,0,0|1,0,0]=3
21  B6R0.2  CC(=O)OC(C)=O 035908 [1,1,0,0,0,0|1,0,1]=4
22  B6R0.4  CC(C)CCCBr 113000 [1,1,0,0,0,0|1,0,1]=4
23  B6R0.4  CCCCC(C)=O 098350 [1,1,0,0,0,0|0,0,0]=2
24  B6R0.7  CC(C)(F)C(=O)Cl 105008 [1,1,0,0,0,0|2,0,0]=4
25  B8R0.3  CCC(C)C(C)N=C=O 097762 [0,2,0,0,0,0|1,0,1]=4
26  B8R0.3  CCOC(=O)C(C)CCl 104850 [0,2,0,0,0,0|2,0,0]=4
27  B8R0.27  CC(C)(O)C(O)C(=O)O 478110 [0,2,0,0,0,0|1,1,0]=4
28  B8R1.4  C[C@@H]1CCCC(=O)O1 329497 [0,0,0,1,0,1|1,0,0]=3
29  B8R1.11  N#CC1CCSC1=O 094227 [0,1,0,1,0,0|2,0,0]=4