0  B8R0.2  CC(C(C(=O)O)Br)OC A2Z00049624 [0,0,0,0,0,0|2,0,0]=2
1  B7R0.2  CC(CO)NC(=O)C A2Z00047992 [1,0,0,0,0,0|3,0,0]=4
2  B7R0.2  CCC(CC(=O)O)N A2Z00050458 [1,0,0,0,0,0|1,0,0]=2
3  B7R0.16  CC(C)C(=C)C(=O)O A2Z00049593 [1,0,0,0,0,0|1,0,1]=3
4  B9R0.27  CCC(=O)C(C(=O)OC)Cl A2Z00038662 [0,1,0,0,0,0|2,0,1]=4
5  B9R0.79  CC(C(C(=O)O)O)C(=O)O A2Z00049599 [0,1,0,0,0,0|2,0,1]=4
6  B9R0.42  CCC(=O)CC(C(=O)O)N A2Z00096363 [0,0,0,0,0,1|1,0,1]=3
7  B9R0.42  COC(=O)CC(C(=O)O)N A2Z00070351 [0,0,0,0,0,1|2,0,1]=4
8  B6R0.1  CCC(C)N=C=O A2Z00046535 [2,0,0,0,0,0|1,0,1]=4
9  B6R0.1  CCN(C)CCO A2Z00049387 [2,0,0,0,0,0|1,0,1]=4
10  B6R0.4  C(CC(=O)N)CCl A2Z00070345 [2,0,0,0,0,0|2,0,0]=4
11  B6R0.4  CC(=O)CCCCl A2Z00094593 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.3  C(C(C(=O)N)N)O A2Z00085566 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.3  C(C(C(=O)O)N)O A2Z00096658 [2,0,0,0,0,0|1,0,0]=3
14  B6R0.3  CC(C)C(C#N)N A2Z00094740 [2,0,0,0,0,0|1,0,1]=4
15  B8R0.5  CCC\C(=C\C(=O)O)\C A2Z00049558 [1,1,0,0,0,0|0,0,2]=4
16  B8R0.16  C(C(CN)CO)C(=O)O A2Z00050494 [1,1,0,0,0,0|1,0,0]=3
17  B8R0.16  CC(=O)CC(OC)OC A2Z00096091 [1,1,0,0,0,0|2,0,0]=4
18  B8R0.16  CCN(CC)CC(=O)N A2Z00038591 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.19  CCC(C)NC(=O)CCl A2Z00067385 [1,1,0,0,0,0|2,0,0]=4
20  B8R0.19  CCC(CC(=O)OC)N A2Z00050344 [1,1,0,0,0,0|1,0,0]=3
21  B8R0.19  COC(=O)CC(CN)N A2Z00050464 [1,1,0,0,0,0|2,0,0]=4
22  B8R0.23  CC(C)C(CC(=O)O)O A2Z00049174 [1,1,0,0,0,0|1,0,0]=3
23  B8R0.8  CC(C(=O)O)OCCN A2Z00070299 [1,1,0,0,0,0|2,0,0]=4
24  B8R0.8  CSCCC(C(=O)O)N A2Z00093547 [1,1,0,0,0,0|0,0,0]=2
25  B8R1.1  C1C(CNC1=O)CN A2Z00096245 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.1  C1C(CNC1=O)CO A2Z00050383 [1,0,0,1,0,0|2,0,0]=4
27  B8R1.4  CC1CCCC(C1)O A2Z00093510 [1,0,0,1,0,0|1,0,1]=4
28  B8R1.34  C1C(CO1)CC(=O)O A2Z00096243 [1,0,0,1,0,0|1,0,0]=3
29  B8R1.5  CC1CCCCC1=O A2Z00038642 [1,0,0,1,0,0|2,0,0]=4
30  B8R1.7  C1CNCC1C(=O)O A2Z00096244 [1,0,0,1,0,0|2,0,0]=4
31  B8R1.54  CC(C1CC1)C(=O)O A2Z00047916 [1,0,0,1,0,0|1,0,0]=3
32  B8R1.78  CC1(COC1)C(=O)O A2Z00096242 [1,0,0,1,0,0|2,0,0]=4
33  B10R1.23  CC(C1CCCC1)C(=O)O A2Z00047920 [0,1,0,1,0,0|1,0,0]=3
34  B8R0.9  CCC(=O)NCC(=O)O A2Z00046377 [1,0,0,0,0,1|1,0,1]=4