0  B7R0.9  CC(F)(F)CC(=O)O H11192 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.9  CP(C)(=O)CC(=O)O D76431 [0,0,0,0,0,0|1,1,1]=3
2  B6R0.5  C#CCC(C)(C)C AT23213 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.5  C[N+](C)(C)CC=O C77425 [1,0,0,0,0,0|0,0,0]=1
4  B8R0.33  CC(C)(C)CS(=O)(=O)Cl AT12632 [0,1,0,0,0,0|2,0,1]=4
5  B8R0.34  CC(=O)OC(C)(C)CO C90621 [0,1,0,0,0,0|3,0,0]=4
6  B8R1.42  CC(=O)OC1(C)CC1 D96854 [0,0,0,1,0,0|3,0,0]=4
7  B8R1.42  CC1(CC(=O)O)CC1 D86405 [0,0,0,1,0,0|1,0,1]=3
8  B8R1.42  NC1(CC(=O)O)CC1 F30393 [0,0,0,1,0,0|2,0,1]=4
9  B8R1.51  CC1(C)CC(=O)NO1 D73554 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.51  CC1(C)CSC(=O)N1 AT20223 [0,0,0,1,0,0|2,1,0]=4
11  B6R0.7  [2H][C@@](C)(O)C(=O)[O-] D99583 [0,0,0,0,1,0|3,0,0]=4
12  B7R0.2  CN[C@@H](C)CC(=O)O D72538 [1,1,0,0,0,0|1,0,1]=4
13  B9R0.57  C[Si](C)(C)C[C@H](N)C(=O)O AT26520 [0,1,0,0,0,1|1,0,1]=4
14  B9R0.57  C[Si](C)(C)C[C@H](N)C(=O)O AT26523 [0,1,0,0,0,1|1,0,1]=4
15  B9R0.72  CO[C@H](C(=O)O)C(C)(C)C D75518 [0,2,0,0,0,0|1,0,1]=4
16  B9R0.72  CO[C@H](C(=O)O)C(C)(C)C D75519 [0,2,0,0,0,0|1,0,1]=4
17  B9R0.80  CC(C)(C)C(C)(C)C(=O)O D76400 [0,2,0,0,0,0|1,0,1]=4
18  B9R0.11  CC(C)(CC(=O)O)C(F)F E72855 [0,2,0,0,0,0|1,0,1]=4
19  B7R1.12  C[C@H]1C[C@@H]1C(=O)O AT12316 [1,0,0,1,0,0|1,0,1]=4
20  B7R1.12  C[C@H]1C[C@@H]1C(=O)O AT12373 [1,0,0,1,0,0|1,0,1]=4
21  B7R1.20  NC(=O)CC1CC1 D72924 [1,0,0,1,0,0|2,0,0]=4
22  B7R1.21  O=CCC1(F)CC1 AT21838 [1,0,0,1,0,0|2,0,0]=4
23  B7R1.17  CC1(C)CCC1=O P17178 [0,0,0,1,1,0|2,0,0]=4
24  B7R1.17  CC1(C)CNC1=O D72852 [0,0,0,1,1,0|2,0,0]=4
25  B9R1.164  CC1(C)C[C@@H](C(=O)O)N1 AT23789 [0,0,0,1,0,1|1,0,1]=4
26  B9R1.166  CC1(C)CO[C@@H]1C(=O)O E72851 [0,1,0,1,0,0|1,0,1]=4
27  B9R1.169  CC1(C)C[C@@]1(N)C(=O)O AT12985 [0,1,0,1,0,0|1,0,1]=4
28  B9R1.169  CC1(C)C[C@@]1(O)C(=O)O AT22983 [0,1,0,1,0,0|1,0,1]=4
29  B9R1.44  CC1(CC(=O)O)CC1F E72941 [0,1,0,1,0,0|1,0,1]=4
30  B9R1.125  C[C@@]1(CO)CNC(=O)C1 AT19124 [0,1,0,1,0,0|2,0,0]=4
31  B9R1.171  CC1(CC(=O)O)CCC1 P19464 [0,1,0,1,0,0|1,0,1]=4
32  B9R0.56  C[N+](C)(C)C\C=C\C(N)=O E72561 [0,0,0,0,0,2|1,0,0]=3