0  B10R0.97  CC(C)CCSCCC(C)C CSC000043246 [1,0,0,0,0,0|3,0,0]=4
1  B10R0.97  CC(C)NCCCNC(C)C CSC011219560 [1,0,0,0,0,0|0,0,0]=1
2  B10R0.97  CC(C)OCCCNC(=O)C CSC000161839 [1,0,0,0,0,0|2,0,1]=4
3  B12R1.21  CC(C)NCC1CCN(CC1)C CSC011552052 [0,0,0,1,0,0|3,0,0]=4
4  B12R1.127  CC(C)CN1CC(NCC1C)C CSC012157261 [0,0,0,1,0,0|3,0,0]=4
5  B11R0.6  CC(C)CCCC(C)NC(C)C CSC000226624 [1,1,0,0,0,0|1,0,0]=3
6  B11R1.49  CC(C)N1C[C@H](C[C@H]1CO)O CSC016163317 [1,0,0,1,0,0|2,0,0]=4
7  B11R1.75  CC(C)NCC1CCC(C1)C CSC012375525 [1,0,0,1,0,0|2,0,0]=4
8  B11R1.86  CC(C)NC1CCCCC1C CSC000200233 [1,0,0,1,0,0|2,0,0]=4
9  B11R1.86  CC(C)N[C@H]1CCCC[C@@H]1F [1,0,0,1,0,0|2,0,0]=4
10  B11R1.91  CC(C)NCC1CCCCC1 CSC000200239 [1,0,0,1,0,0|2,0,0]=4
11  B11R1.91  CC(C)NCC1CCCCS1 CSC012790306 [1,0,0,1,0,0|1,1,0]=4
12  B11R1.91  CC(C)SCC1CCCCO1 CSC015890546 [1,0,0,1,0,0|2,0,0]=4
13  B11R1.213  CCSCC1CCC(O1)(C)C CSC015287054 [1,0,0,1,0,0|2,0,0]=4
14  B11R1.497  CC(C)N1CCSCC(C1)C CSC046160806 [1,0,0,1,0,0|2,0,0]=4
15  B11R1.713  CC(C)NCC1(CCCC1)C CSC011737264 [1,0,0,1,0,0|2,0,0]=4
16  B11R1.713  CC(C)NCC1(CCOC1)O CSC011847715 [1,0,0,1,0,0|1,0,0]=3
17  B11R1.157  CC(C)NC1CCCC(C1)C CSC000200238 [1,0,0,1,0,0|1,0,0]=3
18  B11R1.157  CC(C)NC1CCCN(C1)C CSC011430318 [1,0,0,1,0,0|2,0,0]=4
19  B11R1.234  CC(C)NC1CCCC1(C)C CSC012657640 [1,0,0,1,0,0|1,0,0]=3
20  B11R1.20  CC(C)N[C@H]1CC[C@@H](CC1)C [0,0,0,1,1,0|2,0,0]=4
21  B11R1.74  CC(C)N1CC(SC(C1)C)C CSC048917320 [0,0,0,1,1,0|2,0,0]=4
22  B11R1.74  CC(C)N1C[C@H](C[C@H](C1)O)C [0,0,0,1,1,0|0,0,0]=2
23  B11R1.710  CC(C)NC1CCC(C1)(C)C CSC012812727 [0,0,0,1,1,0|2,0,0]=4
24  B13R1.893  CC(C)CCN1CC(NCC1C)C CSC012157256 [0,0,0,1,0,1|2,0,0]=4
25  B13R1.8686  CC(C)NCC1(CCCC1(C)C)O CSC012658886 [0,0,0,1,0,1|1,0,0]=3
26  B13R1.514  CC(C)NCC1(CCN(CC1)C)O CSC009856069 [0,1,0,1,0,0|2,0,0]=4
27  B9R0.53  CC(C)CC(=O)NC(C)C CSC000157551 [0,0,0,0,2,0|0,0,2]=4
28  B13R0.1398  CC(C)CNCC(O)COCC(C)C CSC000157400 [0,0,0,0,0,2|1,0,0]=3