0  B7R0.18  CC(CCl)(CCl)CCl D93162 [0,0,0,0,0,0|4,0,0]=4
1  B7R0.18  CCC(C)(CC)CC T71569 [0,0,0,0,0,0|4,0,0]=4
2  B7R0.18  CCC(C)(CO)CO S10151 [0,0,0,0,0,0|2,0,0]=2
3  B7R0.18  CCC(O)(CC)CC D90446 [0,0,0,0,0,0|4,0,0]=4
4  B6R0.8  CC(C)(CCl)CCl C11337 [1,0,0,0,0,0|3,0,0]=4
5  B6R0.8  CCC(C)(O)CC F16452 [1,0,0,0,0,0|3,0,0]=4
6  B6R0.9  CCC(CC)CC D90425 [1,0,0,0,0,0|3,0,0]=4
7  B6R0.9  CC[C@@H](CO)OC D91512 [1,0,0,0,0,0|3,0,0]=4
8  B6R0.9  OCC(CO)=NO D90059 [1,0,0,0,0,0|1,0,1]=3
9  B8R0.36  CCC(N)(CC)C(=O)O AT23408 [0,1,0,0,0,0|2,0,1]=4
10  B5R0.3  CC[C@H](C)CCl D89366 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.3  C[C@@H](CO)CBr D76160 [2,0,0,0,0,0|1,0,0]=3
12  B5R0.3  OC(CF)CF 96887 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.3  O[C@@H](CF)CCl 94770 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.4  C#CC(C)(C)N AT19954 [2,0,0,0,0,0|1,0,1]=4
15  B5R0.4  CCC(C)(C)C D89700 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.4  CCC(C)(C)Cl D89214 [2,0,0,0,0,0|2,0,0]=4
17  B5R0.4  CCC(C)(C)[NH3+] D88364 [2,0,0,0,0,0|1,0,1]=4
18  B9R0.78  CC(C)C(CO)(CO)CO AC8882 [0,2,0,0,0,0|1,0,0]=3
19  B7R1.25  CC1(CN)COC1 59848 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.204  CC[C@]1(CO)CCCN1 AT21803 [0,1,0,1,0,0|2,0,0]=4
21  B9R1.175  N#CCC1(CO)COC1 P20966 [0,1,0,1,0,0|2,0,0]=4