0  B5R0.5  CC(=O)N(C)N A2Z00094878 [0,0,0,0,0,0|2,1,1]=4
1  B5R0.5  CC(C(=O)C)Cl A2Z00093500 [0,0,0,0,0,0|1,1,1]=3
2  B5R0.5  CC(C(=O)N)Cl A2Z00098040 [0,0,0,0,0,0|2,1,1]=4
3  B4R0.1  CC(=O)CO A2Z00094832 [1,0,0,0,0,0|0,2,1]=4
4  B4R0.1  CC(C)CBr A2Z00038648 [1,0,0,0,0,0|2,0,0]=3
5  B4R0.1  CCC(=O)N A2Z00097941 [1,0,0,0,0,0|1,1,1]=4
6  B4R0.1  C[C@@H](CO)N A2Z00045067 [1,0,0,0,0,0|1,1,0]=3
7  B6R0.3  CC(C(=O)NC)N A2Z00049855 [0,1,0,0,0,0|1,1,1]=4
8  B6R0.3  CC(C)C(=O)CO A2Z00049695 [0,1,0,0,0,0|1,1,1]=4
9  B6R0.3  CC(C)C(C#N)N A2Z00094740 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.7  CC(C)C(C)(C)N A2Z00047867 [0,1,0,0,0,0|2,0,0]=3
11  B6R0.2  CC(C)NC(C)C A2Z00095976 [0,0,0,0,0,1|2,0,0]=3
12  B3R0.1  C(CS)N A2Z00095999 [2,0,0,0,0,0|1,0,0]=3
13  B3R0.1  CCCBr A2Z00093521 [2,0,0,0,0,0|1,0,0]=3
14  B3R0.1  CCCN A2Z00093482 [2,0,0,0,0,0|1,0,0]=3
15  B3R0.2  CC(C)Br A2Z00093522 [2,0,0,0,0,0|1,0,0]=3
16  B3R0.2  CC(C)N A2Z00093481 [2,0,0,0,0,0|1,0,0]=3
17  B3R0.2  CN(C)N A2Z00049168 [2,0,0,0,0,0|2,0,0]=4
18  B5R0.1  CC(=O)CCN A2Z00069826 [1,1,0,0,0,0|0,1,1]=4
19  B5R0.1  CC(C)CCBr A2Z00093551 [1,1,0,0,0,0|1,0,0]=3
20  B5R0.1  CC(C)C[N+]#[C-] A2Z00050390 [1,1,0,0,0,0|1,0,1]=4
21  B5R0.1  CC(CNN)O A2Z00062183 [1,1,0,0,0,0|1,1,0]=4
22  B5R0.1  CN(C)CCCl A2Z00093594 [1,1,0,0,0,0|2,0,0]=4
23  B5R0.3  CCN(CC)N A2Z00049169 [1,1,0,0,0,0|2,0,0]=4
24  B5R0.4  CC(C)(CN)O A2Z00045066 [1,1,0,0,0,0|1,1,0]=4
25  B5R0.4  CCS(=O)(=O)C A2Z00068674 [1,1,0,0,0,0|1,1,0]=4
26  B7R0.16  BN(C(C)C)C(C)C A2Z00095533 [0,1,0,0,0,1|2,0,0]=4
27  B7R0.5  CC(C)C(CCN)O A2Z00049172 [0,2,0,0,0,0|1,1,0]=4
28  B7R0.15  CC(C(OC)OC)O A2Z00096673 [0,2,0,0,0,0|0,2,0]=4
29  B5R1.2  C1C(CN1)O A2Z00050204 [1,0,0,1,0,0|1,1,0]=4
30  B5R1.2  C1C(CO1)O A2Z00096297 [1,0,0,1,0,0|0,2,0]=4
31  B5R1.3  C1C(O1)CCl A2Z00093491 [1,0,0,1,0,0|1,1,0]=4
32  B7R1.4  C1CC(C(C1)O)N A2Z00095968 [0,1,0,1,0,0|1,1,0]=4