0  B14R0.392  CCCCCCCCCCCCCCBr 424675 [0,0,0,0,0,0|1,0,0]=1
1  B14R0.392  CCCCCCCCCCCCCCC 104591 [0,0,0,0,0,0|1,0,0]=1
2  B14R0.392  CCCCCCCCCCCCCCCl 242579 [0,0,0,0,0,0|1,0,0]=1
3  B14R0.392  CCCCCCCCCCCCCCN 102292 [0,0,0,0,0,0|1,0,0]=1
4  B14R0.392  CCCCCCCCCCCCCCO 240945 [0,0,0,0,0,0|0,0,0]=0
5  B14R0.392  CCCCCCCCCCCCN=C=S 008926 [0,0,0,0,0,0|1,1,1]=3
6  B14R0.392  NCCCCCCNCCCCCCN 105734 [0,0,0,0,0,0|3,0,0]=3
7  B13R0.336  BrCCCCCCCCCCCCBr 235574 [1,0,0,0,0,0|2,0,0]=3
8  B13R0.336  CCCCCCCCCCCCCC 240111 [1,0,0,0,0,0|0,0,0]=1
9  B13R0.336  CCCCCCCCCCCCSC 098356 [1,0,0,0,0,0|1,0,0]=2
10  B13R0.336  CCCCCC\C=C\CCCCCC 099796 [1,0,0,0,0,0|0,0,2]=3
11  B13R0.336  NCCCCCCCCCCCCN 242589 [1,0,0,0,0,0|2,0,0]=3
12  B13R0.336  OCCCCCCCCCCCCBr 041026 [1,0,0,0,0,0|1,0,0]=2
13  B13R0.336  OCCCCCCCCCCCCO 040537 [1,0,0,0,0,0|1,0,0]=2
14  B15R0.70  C=CCCCCCCCCCCCCCC 105501 [0,1,0,0,0,0|1,0,0]=2
15  B15R0.70  CCCCCCCCCCCCCCCC 104402 [0,1,0,0,0,0|1,0,0]=2
16  B15R0.70  CNCCCCCCCCCCCCNC 033969 [0,1,0,0,0,0|2,0,0]=3
17  B15R0.133  CCCCCCCC(O)CCCCCCC 181201 [0,1,0,0,0,0|1,0,0]=2
18  B15R0.164  CCCCCCCCCCCCCC(=O)Cl 099087 [0,1,0,0,0,0|0,0,2]=3
19  B15R0.164  CCCCCCCCCCCCCC(=O)O 241293 [0,1,0,0,0,0|0,0,1]=2
20  B15R0.164  CCCCCCCCCCCCCC(C)=O 228741 [0,1,0,0,0,0|0,0,2]=3
21  B15R0.164  CCCCCCCCCCCCNC(C)=O 181180 [0,1,0,0,0,0|1,0,2]=4
22  B15R0.164  CCCCCCCCCCCCOC(=O)Cl 242582 [0,1,0,0,0,0|1,0,2]=4
23  B15R0.366  CCCCCCCCCCCC(=O)OCC 140800 [0,1,0,0,0,0|2,0,1]=4
24  B15R0.366  CCOC(=O)CCCCCCCCCCBr 051098 [0,1,0,0,0,0|2,0,1]=4
25  B15R1.35  CCCCCCCCCN1CCNCC1 008905 [0,0,0,1,0,0|3,0,0]=4
26  B15R1.3873  S=C=NC1CCCCCCCCCCC1 008782 [0,0,0,1,0,0|1,1,1]=4
27  B12R0.5  CCCCCCCCCCCC=O 099711 [2,0,0,0,0,0|0,0,2]=4
28  B12R0.5  CCCCCCCCCCCCBr BR1063 [2,0,0,0,0,0|1,0,0]=3
29  B12R0.5  CCCCCCCCCCCCC 242173 [2,0,0,0,0,0|0,0,0]=2
30  B12R0.5  CCCCCCCCCCCCCl 103779 [2,0,0,0,0,0|1,0,0]=3
31  B12R0.5  CCCCCCCCCCCCN 358344 [2,0,0,0,0,0|1,0,0]=3
32  B12R0.5  CCCCCCCCCCCCO 358252 [2,0,0,0,0,0|0,0,0]=2
33  B12R0.5  CCCCCCCCCCCCS 095002 [2,0,0,0,0,0|0,1,0]=3
34  B12R0.5  CCCCCCCCNCCCC 105074 [2,0,0,0,0,0|1,0,0]=3
35  B12R0.5  CCCCCCCCNCCCN 105080 [2,0,0,0,0,0|2,0,0]=4
36  B12R0.5  CCCCCCNCCCCCC 336045 [2,0,0,0,0,0|1,0,0]=3
37  B12R0.5  CCCCCCOCCOCCO 099210 [2,0,0,0,0,0|2,0,0]=4
38  B12R0.5  OCCCCCCCCCCCBr 216396 [2,0,0,0,0,0|1,0,0]=3
39  B14R0.337  CCCCCCCCCCCC(=O)CC 188340 [1,1,0,0,0,0|0,0,1]=3
40  B14R0.394  CCCCCCCCCCCCC(=O)O 321977 [1,1,0,0,0,0|0,0,1]=3
41  B14R0.394  CCCCCCCCCCCCN(C)C 098829 [1,1,0,0,0,0|1,0,0]=3
42  B14R0.394  NCCCCCCCCCCCC(=O)O 099086 [1,1,0,0,0,0|1,0,1]=4
43  B16R0.274  CCCCCCCCCCCCCCC(=O)O 321973 [0,2,0,0,0,0|0,0,0]=2
44  B16R0.274  CCCCCCCCCCCCCCN(C)C 135700 [0,2,0,0,0,0|1,0,0]=3
45  B16R0.303  CCCCCCCCCCCCCCCCBr BR1074 [0,2,0,0,0,0|1,0,0]=3
46  B16R0.303  CCCCCCCCCCCCCCCCCl 238802 [0,2,0,0,0,0|1,0,0]=3
47  B16R0.303  CCCCCCCCCCCCCCCCN 099187 [0,2,0,0,0,0|1,0,0]=3
48  B16R0.303  CCCCCCCCCCCCCCCCO 225485 [0,2,0,0,0,0|0,0,0]=2
49  B16R0.303  CCCCCCCCCCCCCCCCS 144700 [0,2,0,0,0,0|0,1,0]=3
50  B16R0.303  CCCCCCCCCCCCNCCC#N 018649 [0,2,0,0,0,0|1,0,0]=3
51  B16R0.303  CCCCCCCCNCCCCCCCC 242970 [0,2,0,0,0,0|1,0,0]=3
52  B16R0.303  CCCCCCCCSCCCCCCCC 099123 [0,2,0,0,0,0|1,0,0]=3
53  B16R0.224  CCCCCCCCCCCCC(Br)C(=O)O 099212 [0,2,0,0,0,0|0,0,1]=3
54  B14R1.123  CCCCCCCCN1CCNCC1 008904 [1,0,0,1,0,0|2,0,0]=4
55  B14R1.123  CCCCNCCNC1CCCCC1 024812 [1,0,0,1,0,0|2,0,0]=4
56  B16R1.643  CCCCCCCCCCN1CCNCC1 008906 [0,1,0,1,0,0|2,0,0]=4
57  B16R1.1193  CCCCCCCCCCCC1=NCCN1 094673 [0,1,0,1,0,0|1,0,1]=4