0  B7R0.6  CC(=O)\C=C\N(C)C A2Z00096534 [0,0,0,0,0,0|2,0,0]=2
1  B7R0.6  CC(C)COC(=O)Cl A2Z00093541 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.6  CC(C)SCC(=O)O A2Z00055812 [0,0,0,0,0,0|1,0,1]=2
3  B7R0.6  CN(C)CCC(=O)O A2Z00094718 [0,0,0,0,0,0|1,0,2]=3
4  B7R0.6  CN(C)\C=C\C(=S)N A2Z00057018 [0,0,0,0,0,0|2,1,0]=3
5  B7R0.6  CN(C)\C=C\[N+](=O)[O-] A2Z00096569 [0,0,0,0,0,0|2,0,1]=3
6  B6R0.4  CC(=O)\C=C\OC A2Z00096533 [1,0,0,0,0,0|2,0,0]=3
7  B6R0.4  CC(C)CN=C=O A2Z00046534 [1,0,0,0,0,0|1,0,2]=4
8  B8R0.23  CC(C)C(CC(=O)O)O A2Z00049174 [0,1,0,0,0,0|0,0,2]=3
9  B8R1.3  Cc1ccc(cc1)O A2Z00098041 [0,0,0,1,0,0|1,0,2]=4
10  B8R1.35  C1CC1NCC(=O)N A2Z00049171 [0,0,0,1,0,0|2,0,1]=4
11  B8R1.51  CC1(CC(=O)OC1)C A2Z00096652 [0,0,0,1,0,0|2,0,1]=4
12  B8R1.51  CC1(CCC(=O)C1)C A2Z00096352 [0,0,0,1,0,0|1,0,2]=4
13  B6R0.2  CC(=C[N+](=O)[O-])C A2Z00094964 [0,0,0,0,1,0|1,0,2]=4
14  B5R0.1  CCCC(=O)O A2Z00093490 [2,0,0,0,0,0|0,0,1]=3
15  B5R0.1  CNCC(=O)O A2Z00095987 [2,0,0,0,0,0|1,0,1]=4
16  B7R0.2  CCC(CC(=O)O)N A2Z00050458 [1,1,0,0,0,0|0,0,2]=4
17  B7R0.4  C(CCS)CC(=O)O A2Z00070146 [1,1,0,0,0,0|0,0,2]=4
18  B7R0.4  C(CSCC(=O)O)N A2Z00070138 [1,1,0,0,0,0|1,0,1]=4
19  B7R0.4  CSCCCC(=O)O A2Z00070144 [1,1,0,0,0,0|0,0,2]=4
20  B7R0.9  CC(C)(C)NC(=O)N A2Z00097411 [0,1,0,0,1,0|2,0,0]=4
21  B7R0.16  CC(C)C(=C)C(=O)O A2Z00049593 [0,1,0,0,1,0|0,0,0]=2
22  B9R0.53  CC(C)CC(CC(=O)O)O A2Z00049177 [0,1,0,0,0,1|0,0,2]=4
23  B9R0.57  CC(C)(C)OC(=O)C(=O)Cl A2Z00095477 [0,2,0,0,0,0|2,0,0]=4
24  B9R0.57  CC(C)(C)OC(=O)C(=O)N A2Z00096501 [0,2,0,0,0,0|2,0,0]=4
25  B7R1.2  CC1CNC(=O)O1 A2Z00096651 [1,0,0,1,0,0|1,0,1]=4
26  B7R1.3  C1CC=CC(=O)C1 A2Z00096058 [1,0,0,1,0,0|1,0,0]=3
27  B9R1.35  CC(C)c1cc([nH]n1)O A2Z00097315 [0,0,0,1,0,1|2,0,0]=4
28  B9R1.35  CC(C)n1cc(cn1)O A2Z00050507 [0,0,0,1,0,1|2,0,0]=4
29  B9R1.35  Cc1cnc(o1)C(=O)O A2Z00050346 [0,0,0,1,0,1|1,0,1]=4
30  B9R1.35  Cc1ncc(s1)C(=O)O A2Z00073992 [0,0,0,1,0,1|1,0,1]=4
31  B9R1.10  CC1(OCC(=O)CO1)C A2Z00096283 [0,1,0,1,0,0|1,0,1]=4
32  B9R1.38  CC1(C(=O)NC(=O)N1)C A2Z00070029 [0,1,0,1,0,0|2,0,0]=4
33  B5R0.5  CC(C(=O)C)Cl A2Z00093500 [0,0,0,0,2,0|2,0,0]=4
34  B5R0.5  CC(C(=O)N)Cl A2Z00098040 [0,0,0,0,2,0|2,0,0]=4
35  B5R0.5  CN(C)C(=O)Cl A2Z00096010 [0,0,0,0,2,0|2,0,0]=4