0  B4R0.3  C[13C](C)(C)Cl D97989 [0,0,0,0,0,0|3,0,0]=3
1  B5R0.4  CC(C)(F)C#N D86389 [0,1,0,0,0,0|3,0,0]=4
2  B5R0.4  CC(C)(F)CN F53132 [0,1,0,0,0,0|3,0,0]=4
3  B5R0.4  O=S(=O)(Cl)CF AT12627 [0,1,0,0,0,0|3,0,0]=4
4  B5R0.4  OC[B-](F)(F)F F31250 [0,1,0,0,0,0|2,1,0]=4
5  B5R0.4  [2H]C([2H])(Cl)CC D98751 [0,1,0,0,0,0|3,0,0]=4
6  B2R0.1  [13CH3][13CH2]O 41411 [2,0,0,0,0,0|2,0,0]=4
7  B6R0.5  CC(F)(F)CC#N AT12471 [0,2,0,0,0,0|2,0,0]=4
8  B6R0.5  CC(F)(F)CCBr E73229 [0,2,0,0,0,0|1,1,0]=4
9  B6R0.7  C[C@H](N)C(C)(F)F AT12480 [0,2,0,0,0,0|2,0,0]=4
10  B6R0.7  O=C(O)C(F)(F)F 98164 [0,2,0,0,0,0|1,1,0]=4
11  B6R0.7  O=C(O)C(F)(F)F AT22547 [0,2,0,0,0,0|1,1,0]=4
12  B6R0.7  OC(O)[13C](Cl)(Cl)Cl AT25918 [0,2,0,0,0,0|1,1,0]=4
13  B6R0.8  CCC(F)(F)CBr E73059 [0,2,0,0,0,0|1,1,0]=4
14  B6R0.8  CCC(F)(F)CO C90212 [0,2,0,0,0,0|2,0,0]=4
15  B6R1.9  O[C@H]1CC1(F)F F17971 [0,1,0,1,0,0|2,0,0]=4