0  B7R0.3  CCCCC(N)CC 214311 [0,0,0,0,0,0|3,0,1]=4
1  B7R0.3  CNC(=O)CCOC 091206 [0,0,0,0,0,0|1,1,0]=2
2  B7R0.3  COC(=O)CN=C=O 020995 [0,0,0,0,0,0|3,0,0]=3
3  B7R0.3  COCC\C(N)=N\O 370225 [0,0,0,0,0,0|3,1,0]=4
4  B6R0.1  CNC(=O)CCCl 310786 [1,0,0,0,0,0|2,0,0]=3
5  B6R0.4  CCCCS(=O)[O-] 044582 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.4  COCNC(N)=O 101307 [1,0,0,0,0,0|2,1,0]=4
7  B6R0.4  NCCCC(N)=O 373559 [1,0,0,0,0,0|3,0,0]=4
8  B6R0.6  CCOCCNC 104271 [1,0,0,0,0,0|3,0,0]=4
9  B8R0.1  CCNC(=O)CCOC 091207 [0,1,0,0,0,0|1,1,0]=3
10  B8R1.38  CNC(=O)C1CCC1 215318 [0,0,0,1,0,0|2,0,0]=3
11  B5R0.1  CCCS(=O)[O-] 035598 [2,0,0,0,0,0|1,0,1]=4
12  B7R0.2  CNC(=O)CC(C)C 103448 [1,1,0,0,0,0|1,0,0]=3
13  B7R0.10  COC(=O)C(Cl)C=O 070635 [1,1,0,0,0,0|0,1,1]=4
14  B7R0.4  CCCCOC(C)=O 101599 [1,1,0,0,0,0|1,0,0]=3
15  B7R0.4  COCCCC(=O)O 234024 [1,1,0,0,0,0|0,1,0]=3
16  B7R0.8  CNCCS(=O)(=O)O 375127 [1,1,0,0,0,0|2,0,0]=4
17  B9R0.23  COC(=O)[C@@H](N)CC(N)=O M03091 [0,2,0,0,0,0|2,0,0]=4
18  B9R0.27  COC(=O)C(N)C(=O)OC 067157 [0,2,0,0,0,0|0,1,1]=4
19  B9R0.60  COCC(F)(F)C(=O)OC 021983 [0,2,0,0,0,0|0,1,0]=3
20  B9R0.24  CCC(C)SCC(=O)OC 098287 [0,2,0,0,0,0|1,0,0]=3
21  B9R0.46  CCCCSCC(=O)OC 098267 [0,2,0,0,0,0|1,0,0]=3
22  B9R0.46  COCCSCC(=O)OC 102096 [0,2,0,0,0,0|0,1,0]=3
23  B7R1.2  CC1COC(=O)O1 102084 [1,0,0,1,0,0|1,0,0]=3
24  B7R1.4  CN1CCCC1=O 105571 [1,0,0,1,0,0|1,0,0]=3
25  B7R1.12  O=C(O)[C@H]1C[C@@H]1F 037362 [1,0,0,1,0,0|2,0,0]=4
26  B9R1.186  COC(=O)C1(Br)CCC1 043270 [0,1,0,1,0,0|1,0,0]=3