0  B7R0.4  CC(C)CCCCN A2Z00049525 [0,0,0,0,0,0|2,0,1]=3
1  B7R0.4  CC(C)CCCNC A2Z00049564 [0,0,0,0,0,0|3,0,0]=3
2  B7R0.4  CC(C)CCN=C=O A2Z00046539 [0,0,0,0,0,0|1,0,1]=2
3  B6R0.4  CC(C)CN=C=O A2Z00046534 [1,0,0,0,0,0|1,0,1]=3
4  B6R0.4  CC(C)OCCN A2Z00047141 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.4  CCCNC(C)C A2Z00048056 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.4  CN(C)CCCCl A2Z00093595 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.6  CCCCCCBr A2Z00093564 [1,0,0,0,0,0|2,0,1]=4
8  B6R0.6  CCCCCCI A2Z00093584 [1,0,0,0,0,0|2,0,1]=4
9  B6R0.6  CCCCCCO A2Z00093499 [1,0,0,0,0,0|1,0,2]=4
10  B6R0.6  COCCN=C=O A2Z00046536 [1,0,0,0,0,0|2,0,1]=4
11  B8R1.4  C1CNC(=O)CC1=O A2Z00096248 [0,0,0,1,0,0|2,0,1]=4
12  B8R1.4  CC1CCCC(C1)O A2Z00093510 [0,0,0,1,0,0|1,0,2]=4
13  B8R1.19  CC1(C(=O)CCN1)C A2Z00050354 [0,0,0,1,0,0|2,0,0]=3
14  B8R1.22  CC1CCCNCC1 A2Z00096454 [0,0,0,1,0,0|2,0,1]=4
15  B5R0.1  CC(C)CCBr A2Z00093551 [2,0,0,0,0,0|1,0,0]=3
16  B5R0.1  CC(C)C[N+]#[C-] A2Z00050390 [2,0,0,0,0,0|1,0,1]=4
17  B5R0.1  CN(C)CCCl A2Z00093594 [2,0,0,0,0,0|2,0,0]=4
18  B5R0.2  CCCCCBr A2Z00093550 [2,0,0,0,0,0|1,0,1]=4
19  B5R0.2  CCCCNC A2Z00093457 [2,0,0,0,0,0|1,0,1]=4
20  B5R0.2  CCNCC=C A2Z00070010 [2,0,0,0,0,0|2,0,0]=4
21  B7R0.5  CC(C)C(CCN)O A2Z00049172 [1,1,0,0,0,0|1,0,1]=4
22  B7R0.6  CC(C)COC(=O)Cl A2Z00093541 [1,1,0,0,0,0|0,0,0]=2
23  B7R0.6  CC(C)SCC(=O)O A2Z00055812 [1,1,0,0,0,0|1,0,0]=3
24  B7R0.6  CN(C)CCC(=O)O A2Z00094718 [1,1,0,0,0,0|1,0,0]=3
25  B7R0.8  CC(C)(C)CCCN A2Z00047846 [1,1,0,0,0,0|1,0,1]=4
26  B9R0.53  CC(C)CC(CC(=O)O)O A2Z00049177 [0,2,0,0,0,0|1,0,0]=3
27  B7R1.2  C1CC(=O)OC1O A2Z00096558 [1,0,0,1,0,0|2,0,0]=4
28  B7R1.2  CC1=CC(=O)CC1 A2Z00096078 [1,0,0,1,0,0|0,0,2]=4
29  B7R1.2  CC1CNC(=O)O1 A2Z00096651 [1,0,0,1,0,0|2,0,0]=4
30  B7R1.3  CC1CCCNC1 A2Z00093496 [1,0,0,1,0,0|1,0,1]=4
31  B7R1.3  CC1CCNCC1 A2Z00093494 [1,0,0,1,0,0|1,0,1]=4
32  B7R1.6  C1CC(C1)N=C=O A2Z00049542 [1,0,0,1,0,0|1,0,1]=4
33  B9R1.66  CC1(COCC(=O)N1)C A2Z00046113 [0,1,0,1,0,0|2,0,0]=4
34  B9R1.40  CC1(C(=O)OCCN1)C A2Z00044907 [0,1,0,1,0,0|0,0,0]=2
35  B9R2.5  C1CC(=O)C2(C1)CC2 A2Z00049686 [0,0,0,2,0,0|1,0,0]=3