0  B7R0.5  C=CCC(F)C(C)=O 049763 [0,0,0,0,0,0|2,0,2]=4
1  B7R0.5  CCCC(N)C(C)C 214316 [0,0,0,0,0,0|3,0,1]=4
2  B7R0.5  NC(=O)C(Br)CCBr 105247 [0,0,0,0,0,0|3,0,0]=3
3  B6R0.1  COCC(C)CN 105383 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.3  CCC(C)C(C)N 214338 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.3  CCC(C)S(=O)[O-] 070719 [1,0,0,0,0,0|1,0,1]=3
6  B6R0.3  CCN(Cl)C(=O)O 105234 [1,0,0,0,0,0|2,0,0]=3
7  B6R0.3  COC(C)C(=O)O 219524 [1,0,0,0,0,0|1,0,0]=2
8  B6R0.4  CCCCC(C)=O 098350 [1,0,0,0,0,0|1,0,0]=2
9  B6R0.4  O=CNCC(=O)O 242940 [1,0,0,0,0,0|2,0,1]=4
10  B8R0.14  CCCN(C)S(=O)(=O)Cl 069335 [0,1,0,0,0,0|2,0,1]=4
11  B5R0.1  [2H]C(=O)OCC 105259 [2,0,0,0,0,0|2,0,0]=4
12  B5R0.2  N#CCCC=O 101160 [2,0,0,0,0,0|1,0,1]=4
13  B7R0.11  C=CC(C)(C)CCBr 105163 [1,1,0,0,0,0|2,0,0]=4
14  B7R0.11  CC(C)(CO)CCBr 105090 [1,1,0,0,0,0|1,0,1]=4
15  B7R0.4  CNCCCC(=O)O 242011 [1,1,0,0,0,0|0,0,0]=2
16  B7R0.6  CN(C)CCC(N)=O 043225 [1,1,0,0,0,0|2,0,0]=4
17  B7R0.8  CCCCS(=O)(=O)F 070503 [1,1,0,0,0,0|1,0,1]=4
18  B9R0.60  COC(=O)C(C)(C)CCBr 105091 [0,2,0,0,0,0|1,0,0]=3
19  B9R1.69  CN1CC(N)CCC1=O 309603 [0,1,0,1,0,0|2,0,0]=4
20  B9R1.6  NC(=O)N1CCOCC1 215207 [0,1,0,1,0,0|2,0,0]=4
21  B9R1.6  O=C(Cl)N1CCCCC1 513907 [0,1,0,1,0,0|2,0,0]=4
22  B9R1.35  CC(=O)N1CC[C@H](N)C1 087771 [0,1,0,1,0,0|2,0,0]=4
23  B9R1.163  O=C(Cl)C1(Br)CCCC1 075509 [0,1,0,1,0,0|1,0,0]=3
24  B9R1.169  CC1(C(=O)O)CC1(Br)Br 014512 [0,1,0,1,0,0|1,0,0]=3