0  B6R0.1  CCOC(=O)OC 075947 [0,0,0,0,0,0|1,1,0]=2
1  B5R0.1  CCOC(=S)Cl 470560 [1,0,0,0,0,0|2,0,1]=4
2  B5R0.1  CCOC(N)=S 105176 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.1  [2H]C(=O)OCC 105259 [1,0,0,0,0,0|2,0,0]=3
4  B5R0.2  CSCCC#N 371092 [1,0,0,0,0,0|1,0,2]=4
5  B5R0.3  CCC(S)CC 105148 [1,0,0,0,0,0|1,1,1]=4
6  B5R0.3  CNC(=O)NN 237741 [1,0,0,0,0,0|3,0,0]=4
7  B7R0.2  CC(C)CC(=O)NN 061371 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.5  CCCC(N)C(C)C 214316 [0,1,0,0,0,0|2,0,1]=4
9  B7R0.7  CCOC(=O)OCC 094215 [0,1,0,0,0,0|1,1,0]=3
10  B7R0.10  COC(=O)C(C)CBr 104870 [0,1,0,0,0,0|1,1,0]=3
11  B4R0.1  [2H]C(=O)OC 105254 [2,0,0,0,0,0|1,1,0]=4
12  B4R0.2  CCN=C=O 386377 [2,0,0,0,0,0|1,0,1]=4
13  B4R0.2  COCC=O 105128 [2,0,0,0,0,0|1,0,0]=3
14  B4R0.2  CSCCBr 472152 [2,0,0,0,0,0|1,0,0]=3
15  B6R0.2  CC(=O)OC(C)=O 035908 [1,1,0,0,0,0|1,0,1]=4
16  B6R0.3  CCC(C)C(C)N 214338 [1,1,0,0,0,0|1,0,1]=4
17  B6R0.3  CCC(C)S(=O)[O-] 070719 [1,1,0,0,0,0|1,1,0]=4
18  B6R0.3  CCC(N)C(C)C 214340 [1,1,0,0,0,0|1,0,1]=4
19  B6R0.3  CCN(Cl)C(=O)O 105234 [1,1,0,0,0,0|1,1,0]=4
20  B6R0.3  COC(C)C(=O)O 219524 [1,1,0,0,0,0|1,1,0]=4
21  B6R0.4  CC(C)CCCBr 113000 [1,1,0,0,0,0|1,0,1]=4
22  B6R0.4  CCCCC(C)=O 098350 [1,1,0,0,0,0|0,0,0]=2
23  B8R0.23  CC(C)NC(=O)C(C)C 069270 [0,2,0,0,0,0|2,0,0]=4
24  B8R0.1  CC\C=C\C(=O)OCC 105274 [0,2,0,0,0,0|0,1,1]=4
25  B8R0.3  CCOC(=O)C(C)CCl 104850 [0,2,0,0,0,0|1,1,0]=4
26  B6R1.6  ON=C1CCC1 069003 [1,0,0,1,0,0|2,0,0]=4
27  B8R1.4  C[C@@H]1CCCC(=O)O1 329497 [0,1,0,1,0,0|0,1,0]=3
28  B8R1.4  O=C1CSCC(=O)C1 093606 [0,1,0,1,0,0|1,0,1]=4
29  B8R1.3  O=C1CCS(=O)CC1 094783 [0,1,0,1,0,0|2,0,0]=4
30  B8R1.11  N#CC1CCSC1=O 094227 [0,1,0,1,0,0|1,0,1]=4