0  B8R1.3  CC1CCC(O)CC1 2825919 [0,0,0,0,0,0|3,0,0]=3
1  B8R1.3  CN1CCC(O)CC1 1778634 [0,0,0,0,0,0|4,0,0]=4
2  B8R1.3  OC1CSC(O)CS1 2829427 [0,0,0,0,0,0|0,0,0]=0
3  B8R1.3  O[C@H]1CC[C@H](N)CC1 6306024 [0,0,0,0,0,0|3,0,0]=3
4  B7R1.3  BrC1CCCCC1 2832703 [1,0,0,0,0,0|3,0,0]=4
5  B7R1.3  CC1CCCCN1 1188004 [1,0,0,0,0,0|3,0,0]=4
6  B7R1.3  CC1CCCNC1 2825545 [1,0,0,0,0,0|3,0,0]=4
7  B7R1.3  CC1CNCCN1 2825576 [1,0,0,0,0,0|3,0,0]=4
8  B7R1.3  CC1CNCCO1 1145920 [1,0,0,0,0,0|2,1,0]=4
9  B7R1.3  CC1COCCN1 1145918 [1,0,0,0,0,0|2,1,0]=4
10  B7R1.3  NC1CCCCC1 2825544 [1,0,0,0,0,0|3,0,0]=4
11  B7R1.3  OC1CCCCC1 2825569 [1,0,0,0,0,0|2,0,0]=3
12  B7R1.3  OC1CCNCC1 2825584 [1,0,0,0,0,0|3,0,0]=4
13  B7R1.3  [NH3+]C1CCCCC1 7010260176 [1,0,0,0,0,0|3,0,0]=4
14  B7R0.3  CC(CO)NCCO 2342656 [0,0,1,0,0,0|2,1,0]=4
15  B7R0.6  CC(C)SCC(=O)O 7020300467 [0,0,1,0,0,0|1,1,1]=4
16  B7R1.2  O=C1CC(O)CN1 6849800 [0,0,0,0,1,0|1,0,2]=4
17  B6R0.4  CC(C)OCCO 2825651 [1,0,1,0,0,0|1,1,0]=4
18  B6R0.6  BrCCSCCBr 11182098 [1,0,1,0,0,0|2,0,0]=4
19  B6R0.6  CCCCCCO 2825622 [1,0,1,0,0,0|2,0,0]=4
20  B6R0.6  CCCOCCO 2816865 [1,0,1,0,0,0|1,1,0]=4
21  B6R0.6  NCCCCCO 2816851 [1,0,1,0,0,0|2,0,0]=4
22  B6R0.6  NCCOCCO 2825663 [1,0,1,0,0,0|1,1,0]=4
23  B6R0.6  OCCCCCO 2816866 [1,0,1,0,0,0|1,1,0]=4
24  B6R0.6  OCCNCCO 3645288 [1,0,1,0,0,0|1,1,0]=4
25  B6R0.6  OCCOCCF 3354266 [1,0,1,0,0,0|1,1,0]=4
26  B6R0.6  OCCOCCO 2825668 [1,0,1,0,0,0|0,2,0]=4
27  B6R0.6  OCCSCCO 2826190 [1,0,1,0,0,0|0,1,0]=3
28  B6R1.1  C1CCCCC1 2825346 [2,0,0,0,0,0|2,0,0]=4
29  B6R1.1  C1CCNCC1 3585804 [2,0,0,0,0,0|2,0,0]=4
30  B6R1.1  C1CNCCN1 2825375 [2,0,0,0,0,0|2,0,0]=4
31  B6R1.1  C1COCCN1 2825379 [2,0,0,0,0,0|1,1,0]=4
32  B8R1.2  OCC1CCCCC1 2825924 [1,1,0,0,0,0|2,0,0]=4
33  B8R1.2  OCC1CCCNC1 1298066 [1,1,0,0,0,0|2,0,0]=4
34  B8R1.2  OCC1CNCCN1 3338353 [1,1,0,0,0,0|2,0,0]=4
35  B8R1.2  OCC1COCCN1 3664754 [1,1,0,0,0,0|1,1,0]=4
36  B8R1.4  CC1CCCC(O)C1 2825921 [1,1,0,0,0,0|2,0,0]=4
37  B8R2.25  C1CCC2OC2C1 2825515 [1,0,0,1,0,0|2,0,0]=4
38  B6R1.2  BrC1CCCC1 2828971 [1,0,0,0,1,0|2,0,0]=4
39  B6R1.2  ClC1CCCC1 2816877 [1,0,0,0,1,0|2,0,0]=4
40  B6R1.2  NC1CCCC1 2825355 [1,0,0,0,1,0|2,0,0]=4
41  B6R1.2  OC1CCCC1 2825370 [1,0,0,0,1,0|1,0,0]=3
42  B6R1.2  OC1CCNC1 22588262 [1,0,0,0,1,0|1,0,0]=3
43  B6R1.2  OC1CCOC1 15296955 [1,0,0,0,1,0|0,1,0]=3