0  B8R0.9  CCC(=O)CCC(=O)O BB57-6622 [0,0,0,0,0,0|1,0,3]=4
1  B8R0.9  CCC(N)CCC(=O)O BB57-2163 [0,0,0,0,0,0|0,0,2]=2
2  B8R0.9  CCN(C)CCC(=O)O BB12-3650 [0,0,0,0,0,0|2,0,2]=4
3  B8R0.9  CCS(=O)CCC(=O)O BB12-3269 [0,0,0,0,0,0|2,0,2]=4
4  B8R0.9  NCC(=O)CCC(=O)O BB57-4885 [0,0,0,0,0,0|2,0,2]=4
5  B7R0.4  C=CCSCC(=O)O BB12-3265 [1,0,0,0,0,0|1,0,0]=2
6  B7R0.4  CCCNCC(=O)O BB20-0186 [1,0,0,0,0,0|1,0,2]=4
7  B7R0.4  CCCOCC(=O)O BB55-7872 [1,0,0,0,0,0|1,0,2]=4
8  B7R0.4  CCCSCC(=O)O BB12-3263 [1,0,0,0,0,0|1,0,2]=4
9  B7R0.4  CCSCCC(=O)O BB12-3270 [1,0,0,0,0,0|1,0,2]=4
10  B7R0.4  O=C(O)CNCCO BB58-1263 [1,0,0,0,0,0|2,0,1]=4
11  B7R0.6  CC(C)SCC(=O)O BB12-3365 [1,0,0,0,0,0|2,0,1]=4
12  B7R0.6  CN(C)CCC(=O)O BB55-3488 [1,0,0,0,0,0|2,0,1]=4
13  B7R0.6  N=C(N)SCC(=O)O BB55-4565 [1,0,0,0,0,0|2,0,1]=4
14  B9R1.84  O=C(O)CCC1CCC1 BB57-2132 [0,0,0,1,0,0|1,0,2]=4
15  B9R1.95  COC1CC(C(=O)O)C1 BB58-3428 [0,0,0,1,0,0|2,0,1]=4
16  B7R0.2  CNC(C)CC(=O)O BB12-1285 [0,0,0,0,1,0|2,0,1]=4
17  B6R0.4  CCSCC(=O)O BB12-3264 [2,0,0,0,0,0|1,0,1]=4
18  B6R0.4  CNCCC(=O)O BB12-1452 [2,0,0,0,0,0|1,0,1]=4
19  B6R0.4  NC(=O)CCCCl BB57-2489 [2,0,0,0,0,0|2,0,0]=4
20  B6R0.4  NCCCC(N)=O BB57-4725 [2,0,0,0,0,0|1,0,0]=3
21  B6R0.6  C=CCCCC#N BB12-2224 [2,0,0,0,0,0|1,0,1]=4
22  B8R0.5  CCCC(N)CC(=O)O BB12-1701 [1,1,0,0,0,0|0,0,2]=4
23  B8R0.7  CC(=O)CCCOC=O BB54-0059 [1,1,0,0,0,0|2,0,0]=4
24  B8R0.7  CCCCNCC(=O)O BB20-0185 [1,1,0,0,0,0|0,0,2]=4
25  B8R0.28  CN(C)CCCC(=O)O BB01-6266 [1,1,0,0,0,0|1,0,1]=4
26  B8R0.28  NC(=O)CCCC(=O)O BB12-2466 [1,1,0,0,0,0|1,0,0]=3
27  B8R0.28  NC(=O)COCC(=O)O BB12-2362 [1,1,0,0,0,0|2,0,0]=4
28  B8R0.23  CC(C)[C@H](N)CC(=O)O BB01-8380 [1,1,0,0,0,0|1,0,1]=4
29  B8R0.29  CC(C)(C)CCC(=O)O BB57-2925 [1,1,0,0,0,0|1,0,1]=4
30  B8R0.29  CC(C)(N)CCC(=O)O BB12-1634 [1,1,0,0,0,0|0,0,1]=3
31  B8R1.3  O=C1C=CC(O)OC1 BB54-5359 [1,0,0,1,0,0|2,0,0]=4
32  B8R1.7  O=C(O)[C@H]1C=CCN1 BB32-2958 [1,0,0,1,0,0|1,0,0]=3
33  B8R1.34  O=C(O)CC1CCC1 BB55-4828 [1,0,0,1,0,0|0,0,2]=4
34  B8R1.23  O=C(O)C1CC(O)C1 BB58-2196 [1,0,0,1,0,0|1,0,1]=4
35  B10R1.54  NC1=NN(CC(=O)O)C=C1 BB05-1911 [0,0,0,1,0,1|1,0,1]=4
36  B10R1.66  O=C(O)CCC1=CC=NO1 BB54-1995 [0,1,0,1,0,0|0,0,2]=4
37  B6R0.2  CC(N)CC(=O)O BB12-2890 [1,0,0,0,1,0|0,0,1]=3
38  B6R0.2  NC(=O)CC(=O)O BB55-4726 [1,0,0,0,1,0|1,0,1]=4
39  B6R0.2  O=C(O)CC(F)F BB31-2950 [1,0,0,0,1,0|2,0,0]=4
40  B6R0.3  NC(CCl)C(=O)O BB57-2456 [0,0,0,0,2,0|1,0,1]=4