0  B8R0.28  CC(C)CCNC(=O)C BC600079 [0,0,0,0,0,0|3,0,0]=3
1  B8R0.28  CC(C)C[Al+]CC(C)C BC200546 [0,0,0,0,0,0|2,0,2]=4
2  B7R0.4  C(CCO)CC(=O)[O-] BC621003 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.6  CC(=O)CCC(=O)C BC676318 [0,0,0,0,1,0|1,0,2]=4
4  B7R0.6  CC(=O)CCC(=O)O BC216409 [0,0,0,0,1,0|2,0,1]=4
5  B7R0.6  C[S+](C)CCC(=O)O BC215874 [0,0,0,0,1,0|2,0,1]=4
6  B6R0.4  C=CCCC(=O)O BC678220 [2,0,0,0,0,0|1,0,1]=4
7  B6R0.4  CC(C)CCCBr BC219799 [2,0,0,0,0,0|1,0,1]=4
8  B6R0.4  CN(C)CCCBr BC201788 [2,0,0,0,0,0|2,0,0]=4
9  B6R0.4  CN(C)CCCBr BC600124 [2,0,0,0,0,0|2,0,0]=4
10  B6R0.4  CN(C)CCCCl BC225643 [2,0,0,0,0,0|2,0,0]=4
11  B6R0.4  CN(C)CCCCl BC675427 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.4  CN(C)CCCN BC206138 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.4  CN(C)CCCO BC210758 [2,0,0,0,0,0|1,0,0]=3
14  B6R0.6  CCC\C=C\C=O BC231929 [2,0,0,0,0,0|1,0,1]=4
15  B8R0.5  CCOC(=O)C=C(C)C BC201331 [1,1,0,0,0,0|1,0,1]=4
16  B8R0.6  C\C(=C/CCC=C)\CO BC218466 [1,1,0,0,0,0|0,0,2]=4
17  B8R0.7  CN(C)CCOCCO BC219701 [1,1,0,0,0,0|1,0,1]=4
18  B8R0.8  CC(=C)C(=O)NCCO BC669167 [1,1,0,0,0,0|1,0,1]=4
19  B8R0.9  CC(COC(=O)C=C)O BC222741 [1,1,0,0,0,0|1,0,1]=4
20  B10R0.3  CC(=CCC\C(=C\C#N)\C)C BC298441 [0,2,0,0,0,0|1,0,1]=4
21  B10R0.65  CC(=CCCC(C)(C=C)O)C BC207603 [0,2,0,0,0,0|0,0,0]=2
22  B8R1.4  C1CNC(=O)CC1O BC678827 [1,0,0,1,0,0|2,0,0]=4
23  B8R1.4  CN1CCCC(C1)O BC219296 [1,0,0,1,0,0|1,0,1]=4
24  B8R1.7  C1C=CCC1C(=O)O BC226569 [1,0,0,1,0,0|1,0,1]=4
25  B8R1.7  CC(=O)C1CCCC1 BC225383 [1,0,0,1,0,0|1,0,1]=4
26  B8R1.22  C1CCCC(=O)CC1 BC219858 [1,0,0,1,0,0|1,0,1]=4
27  B8R1.3  C1CC(=O)NC[C@@H]1O BC659466 [0,0,0,1,1,0|2,0,0]=4
28  B8R1.3  C1[C@@H](CC[C@H](C1)O)N BC207753 [0,0,0,1,1,0|1,0,1]=4
29  B8R1.3  C1[C@@H](CC[C@H](C1)O)N BC684348 [0,0,0,1,1,0|1,0,1]=4
30  B8R1.3  CC1CCC(=O)CC1 BC219613 [0,0,0,1,1,0|2,0,0]=4
31  B8R1.3  CC1CCC(CC1)N BC214314 [0,0,0,1,1,0|1,0,1]=4
32  B8R1.3  CN1CCC(CC1)N BC205813 [0,0,0,1,1,0|2,0,0]=4
33  B8R1.3  CN1CCC(CC1)O BC205735 [0,0,0,1,1,0|1,0,0]=3
34  B6R0.2  CC(=CC(=O)O)C BC200231 [0,0,0,0,2,0|1,0,1]=4
35  B6R0.2  CC(CN(C)C)Cl BC214983 [0,0,0,0,2,0|2,0,0]=4
36  B6R0.2  CC(CN(C)C)N BC600236 [0,0,0,0,2,0|2,0,0]=4
37  B6R0.2  CC(CN(C)C)N BC640377 [0,0,0,0,2,0|2,0,0]=4