0 B12R2.2786 CC1(C)C2CCC1(C)C(N)C2 22291 [0,0,0,0,0,0|1,0,1]=2 1 B12R2.2786 [C@@H]12CC[C@@](C)([C@H](N)C1)C2(C)C 19213 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.16542 C=C1C(=O)C2(C)CCC1C2(C)C 11924 [0,1,0,0,0,0|0,0,1]=2 3 B13R2.16542 CC1(C)C2CCC1(C)C(N)C2N 12420 [0,1,0,0,0,0|1,0,1]=3 4 B13R2.16542 CC1(C)C2CCC1(C)C(N)C2N 12421 [0,1,0,0,0,0|1,0,1]=3 5 B13R2.16542 CC1(C)C2CCC1(C)C(N)C2N 12430 [0,1,0,0,0,0|1,0,1]=3 6 B13R2.16542 CC1(C)C2CCC1(C)C(N)C2N 12470 [0,1,0,0,0,0|1,0,1]=3 7 B13R2.16542 CC1(C)C2CCC1(C)C([NH3+])C2N 12423 [0,1,0,0,0,0|1,0,1]=3 8 B13R2.16542 CC1(C)C2CCC1(C)C([NH3+])C2[NH3+] 12424 [0,1,0,0,0,0|1,0,1]=3 9 B13R2.16542 CC1(C)C2CCC1(C)C([NH3+])C2[NH3+] 12425 [0,1,0,0,0,0|1,0,1]=3 10 B13R2.16542 CC12CCC(C(=O)C1=O)C2(C)C 11839 [0,1,0,0,0,0|0,0,1]=2 11 B13R2.16542 CC12CCC(C(Br)C1=O)C2(C)C 102830 [0,1,0,0,0,0|0,0,0]=1 12 B13R2.16542 CC1C(=O)C2(C)CCC1C2(C)C 11930 [0,1,0,0,0,0|0,0,0]=1 13 B13R2.18788 CC12CCC(CC1=O)C2(C)CBr 102831 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.21 CC(C)C1CCC(C)C(O)C1 12519 [0,0,1,0,0,0|0,0,2]=3 15 B11R1.1191 CC1CCC(C)(CO)C1(C)C 12557 [0,0,1,0,0,0|0,0,2]=3 16 B13R2.11657 CC12CCC(C=CC1=O)C2(C)C 12682 [0,0,0,0,0,1|0,0,1]=2 17 B13R2.11657 CC12CCC(CCC1=O)C2(C)C 12686 [0,0,0,0,0,1|0,0,0]=1 18 B13R2.11657 CC12CCC(CNC1=O)C2(C)C 12414 [0,0,0,0,0,1|0,0,0]=1 19 B13R2.11657 CC12CCC(COC1=O)C2(C)C 12415 [0,0,0,0,0,1|0,0,0]=1 20 B10R1.471 CC1(C)OOC(=O)C1(C)C 20370 [1,0,1,0,0,0|2,0,0]=4 21 B10R1.61 CC(C)C1CCCCC1O 777 [1,0,1,0,0,0|0,0,2]=4 22 B10R1.61 CC(C)[C@H]1CCCC[C@@H]1O 778 [1,0,1,0,0,0|0,0,2]=4 23 B12R1.893 C=C1C(=O)C(C(C)C)CCC1C 12267 [0,1,1,0,0,0|1,0,1]=4 24 B12R1.3889 CC1CCC(C)(C(=O)O)C1(C)C 12469 [0,1,1,0,0,0|0,0,0]=2 25 B12R1.4227 CC1(CO)CCC(CO)C1(C)C 12403 [0,1,1,0,0,0|0,0,2]=4 26 B14R2.12179 CC12CCC(C=C\C1=N/O)C2(C)C 12701 [0,1,0,0,0,1|0,0,2]=4 27 B14R2.12179 CC12CCC(CC\C1=N/O)C2(C)C 12700 [0,1,0,0,0,1|0,0,1]=3 28 B14R2.27718 CC12CCC(C(=O)NC1=N)C2(C)C 12489 [0,1,0,0,0,1|1,0,1]=4 29 B14R2.27718 CC12CCC(C(O)=CC1=O)C2(C)C 12685 [0,1,0,0,0,1|0,0,1]=3 30 B14R2.18694 CC12CCC(C(N)\C1=N/O)C2(C)C 12463 [0,2,0,0,0,0|0,0,1]=3 31 B14R2.62291 CC1(C)C2CCC1(C)C(C(=O)O)C2 22292 [0,2,0,0,0,0|0,0,1]=3 32 B14R2.17233 CC12CCC(C(Br)C1=O)C2(C)CBr 102832 [0,2,0,0,0,0|0,0,0]=2 33 B14R2.18552 CC12CCC(C(C#N)C1=O)C2(C)C 12720 [0,2,0,0,0,0|0,0,0]=2 34 B14R2.18552 CC12CCC(C(CO)C1=O)C2(C)C 11929 [0,2,0,0,0,0|0,0,0]=2 35 B14R2.18552 CC12CCC(\C(=C/N)C1=O)C2(C)C 12504 [0,2,0,0,0,0|0,0,1]=3 36 B14R2.18552 C\C=C1/C(=O)C2(C)CCC1C2(C)C 11872 [0,2,0,0,0,0|0,0,1]=3 37 B12R2.5952 CC12CCC(CNC1)C2(C)C 12409 [0,0,1,1,0,0|2,0,0]=4 38 B12R1.3097 CC1(C)CCCC(C)(C(=O)O)O1 12590 [0,0,1,0,0,1|1,0,0]=3 39 B12R1.3097 CC1(C)CCCC(C)(C(=O)[O-])O1 12588 [0,0,1,0,0,1|1,0,0]=3 40 B12R1.3097 CC1(C)CCCC(C)(C(=O)[O-])O1 12589 [0,0,1,0,0,1|1,0,0]=3 41 B12R1.3097 CC1(C)CCCC(C)(C(=O)[O-])O1 12592 [0,0,1,0,0,1|1,0,0]=3