0  B6R0.1  C[C@@H](CO)CCO 4679 [0,0,0,0,0,0|1,0,2]=3
1  B5R0.1  COC[C@@H](C)N 3696 [1,0,0,0,0,0|2,0,0]=3
2  B5R0.2  OCCCCF 1386 [1,0,0,0,0,0|1,0,2]=4
3  B5R0.3  C=C[C@@H](O)CO 4518 [1,0,0,0,0,0|3,0,0]=4
4  B7R0.5  CN(CC#N)C(=O)Cl 4532 [0,1,0,0,0,0|2,0,1]=4
5  B7R1.3  C[C@@H]1CNCCO1 906 [0,0,0,1,0,0|2,0,1]=4
6  B7R1.3  C[C@H]1CNCCO1 907 [0,0,0,1,0,0|2,0,1]=4
7  B7R1.3  NC1CCCCC1 4172 [0,0,0,1,0,0|2,0,1]=4
8  B6R0.3  CC[C@H](O)C(=O)O 3680 [1,1,0,0,0,0|1,0,1]=4
9  B6R0.8  CSC(C)(C)C=O 1908 [1,1,0,0,0,0|1,0,0]=3
10  B8R0.2  CC[C@H](C)[C@H](O)C(=O)O 4121 [0,2,0,0,0,0|1,0,0]=3
11  B8R1.2  O=CC1=CCCSC1 1909 [0,1,0,1,0,0|0,0,2]=4
12  B8R1.2  O=CC1CCCSC1 1910 [0,1,0,1,0,0|0,0,0]=2