0  B8R1.4  CC1CCCC(C)[NH2+]1 031072 [0,0,0,0,0,0|2,0,2]=4
1  B8R1.4  NC1=CC(=O)NN=C1 208636 [0,0,0,0,0,0|3,0,1]=4
2  B7R1.3  C[C@@H]1CCCCN1 044539 [1,0,0,0,0,0|1,0,2]=4
3  B9R1.2  O=C1CCCC(CO)C1 067772 [0,1,0,0,0,0|0,0,2]=3
4  B7R0.2  CNC(=O)CC(C)C 103448 [0,0,1,0,0,0|1,0,2]=4
5  B7R0.4  CCCCOC(C)=O 101599 [0,0,1,0,0,0|1,0,2]=4
6  B7R0.4  COCCCC(=O)O 234024 [0,0,1,0,0,0|2,0,0]=3
7  B7R0.7  CCCC(C)N=C=O 097755 [0,0,1,0,0,0|1,0,2]=4
8  B9R2.39  O=C1NC2CCC1C2 388777 [0,0,0,1,0,0|1,0,1]=3
9  B7R1.2  CC1COC(=O)O1 102084 [0,0,0,0,1,0|2,0,1]=4
10  B7R1.4  CN1CCCC1=O 105571 [0,0,0,0,1,0|1,0,0]=2
11  B6R0.1  CNC(=O)CCCl 310786 [1,0,1,0,0,0|2,0,0]=4
12  B6R0.4  CCCCS(=O)[O-] 044582 [1,0,1,0,0,0|2,0,0]=4
13  B6R0.4  NCCCC(N)=O 373559 [1,0,1,0,0,0|2,0,0]=4
14  B6R0.6  C=CCCCNC 104140 [1,0,1,0,0,0|1,0,0]=3
15  B6R1.1  C1=NCCCC1 403930 [2,0,0,0,0,0|1,0,1]=4
16  B8R0.1  CCNC(=O)CCOC 091207 [0,1,1,0,0,0|1,0,1]=4
17  B8R1.2  O=CC1=CCCOC1 036040 [1,1,0,0,0,0|1,0,1]=4
18  B8R1.18  CC1=CC(=O)NN1C 180024 [0,1,0,0,1,0|2,0,0]=4
19  B8R1.11  O=C1CCCC1CO 364082 [0,1,0,0,1,0|0,0,1]=3
20  B6R1.2  CC1CCCO1 105578 [1,0,0,0,1,0|1,0,1]=4
21  B6R1.2  O=C1OCCO1 075946 [1,0,0,0,1,0|2,0,0]=4