0  B6R0.6  CNCCCCBr C74879 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.6  CNCCCCN D80538 [0,0,0,0,0,0|4,0,0]=4
2  B5R0.2  C#CCOCC C90311 [1,0,0,0,0,0|1,1,1]=4
3  B5R0.2  C=CCCNC W16107 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.2  CCCCON 31644 [1,0,0,0,0,0|2,1,0]=4
5  B5R0.2  COCCCO D77912 [1,0,0,0,0,0|1,2,0]=4
6  B7R0.1  CCCNCCCO AB4057 [0,1,0,0,0,0|3,0,0]=4
7  B7R0.4  CCCNCC(C)C AC1640 [0,1,0,0,0,0|3,0,0]=4
8  B7R0.7  COCC(=O)COC 36699 [0,1,0,0,0,0|1,2,0]=4
9  B7R1.1  CC[C@H]1CCCN1 F16886 [0,0,0,1,0,0|3,0,0]=4
10  B7R1.1  CC[C@H]1CCNC1 P14869 [0,0,0,1,0,0|3,0,0]=4
11  B7R1.1  CN[C@H]1CCOC1 P18534 [0,0,0,1,0,0|2,1,0]=4
12  B7R1.1  CN[C@H]1CCOC1 P18535 [0,0,0,1,0,0|2,1,0]=4
13  B7R1.1  CO[C@H]1CCNC1 26935 [0,0,0,1,0,0|2,1,0]=4
14  B7R1.1  CO[C@H]1CCNC1 P10862 [0,0,0,1,0,0|2,1,0]=4
15  B7R1.1  N#C[C@@H]1CSCN1 68265 [0,0,0,1,0,0|3,0,0]=4
16  B7R1.3  C[C@H]1CCCNC1 36405 [0,0,0,1,0,0|3,0,0]=4
17  B7R1.4  CC1CNCC1C P18713 [0,0,0,1,0,0|3,0,0]=4
18  B7R1.6  CNCC1COC1 32854 [0,0,0,1,0,0|2,1,0]=4
19  B7R1.6  COCC1CNC1 36064 [0,0,0,1,0,0|2,1,0]=4
20  B7R1.6  COCC1CNC1 37073 [0,0,0,1,0,0|2,1,0]=4
21  B7R1.24  C1CNCCOC1 80062 [0,0,0,1,0,0|2,1,0]=4
22  B7R1.24  C1SSCSSS1 35121 [0,0,0,1,0,0|2,0,0]=3
23  B4R0.2  CCCCN T70838 [2,0,0,0,0,0|2,0,0]=4
24  B4R0.2  CCONC AT14498 [2,0,0,0,0,0|1,1,0]=4
25  B4R0.2  COCCI A50601 [2,0,0,0,0,0|1,1,0]=4
26  B4R0.2  CSCCN D73275 [2,0,0,0,0,0|1,0,0]=3
27  B4R0.2  NCCCS A11074 [2,0,0,0,0,0|2,0,0]=4
28  B4R0.2  OCCCS D78398 [2,0,0,0,0,0|1,1,0]=4
29  B4R0.2  SCCCBr 77989 [2,0,0,0,0,0|2,0,0]=4
30  B6R0.1  CCC[C@@H](Br)CC D78429 [1,1,0,0,0,0|2,0,0]=4
31  B6R0.4  CCOC[C@H](C)N 75202 [1,1,0,0,0,0|1,1,0]=4
32  B6R1.2  C[C@H]1CCNC1 69327 [1,0,0,1,0,0|2,0,0]=4
33  B6R1.2  C[C@H]1CCSC1 70016 [1,0,0,1,0,0|1,0,0]=3
34  B6R1.2  N[C@H]1CCSC1 70834 [1,0,0,1,0,0|2,0,0]=4
35  B6R1.2  O[C@H]1CCSC1 50208 [1,0,0,1,0,0|1,1,0]=4
36  B6R1.3  CNCC1CC1 P11100 [1,0,0,1,0,0|2,0,0]=4
37  B6R1.6  CNC1CCC1 20929 [1,0,0,1,0,0|2,0,0]=4
38  B6R1.6  CSC1CNC1 37205 [1,0,0,1,0,0|1,0,0]=3
39  B6R1.6  NNC1CSC1 BL010352 [1,0,0,1,0,0|2,0,0]=4
40  B8R1.2  CNC1CCSCC1 D93432 [0,1,0,1,0,0|2,0,0]=4
41  B8R2.42  C1NCC12CSC2 38332 [0,0,0,2,0,0|2,0,0]=4
42  B8R2.42  C1NCC12CSC2 P12112 [0,0,0,2,0,0|2,0,0]=4