0 B10R0.1 CCOC(=O)CCCCCBr 3953 [1,0,0,0,0,0|1,0,0]=2 1 B10R0.71 CCCCCCCC#CCO 11035 [1,0,0,0,0,0|2,0,1]=4 2 B10R0.71 CCCCCCCCCCBr 2457 [1,0,0,0,0,0|2,0,1]=4 3 B10R0.71 CCCCCCCCCCI 3942 [1,0,0,0,0,0|2,0,1]=4 4 B10R0.74 CCCCCC#CC(=O)OC 45055 [1,0,0,0,0,0|0,0,2]=3 5 B12R0.285 CCOC(=O)CNCC(=O)OCC 12454 [0,1,0,0,0,0|2,0,1]=4 6 B12R0.285 CCOC(=O)CSCC(=O)OCC 13927 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.32 CCOC(=O)CC1CCCCC1 20245 [0,0,0,1,0,0|0,0,0]=1 8 B12R1.32 CCOC(=O)CC1CCCNC1 11387 [0,0,0,1,0,0|1,0,0]=2 9 B12R1.32 CCOC(=O)CC1CCCNC1 8013 [0,0,0,1,0,0|1,0,0]=2 10 B12R1.32 CCOC(=O)CC1CCNCC1 11435 [0,0,0,1,0,0|1,0,0]=2 11 B12R1.32 CCOC(=O)CC1CCNCC1 8015 [0,0,0,1,0,0|1,0,0]=2 12 B12R1.32 CCOC(=O)CC1CCOCC1 9731 [0,0,0,1,0,0|1,0,0]=2 13 B12R1.32 CCOC(=O)CC1COCCN1 17653 [0,0,0,1,0,0|2,0,0]=3 14 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 11396 [0,0,0,1,0,0|1,0,0]=2 15 B12R1.308 CCOC(=O)C1CCCCC1N 15632 [0,0,0,1,0,0|1,0,0]=2 16 B12R1.308 CCOC(=O)C1CCCCC1O 20254 [0,0,0,1,0,0|1,0,0]=2 17 B12R1.308 CCOC(=O)C1CCCCN1C 11770 [0,0,0,1,0,0|1,0,0]=2 18 B12R1.308 CCOC(=O)C1CCCNC1=O 20008 [0,0,0,1,0,0|2,0,1]=4 19 B12R1.308 CCOC(=O)C1CCNCC1=O 36023 [0,0,0,1,0,0|2,0,1]=4 20 B12R1.308 CCOC(=O)C1CNCCC1=O 30418 [0,0,0,1,0,0|2,0,1]=4 21 B12R1.318 CCOC(=O)CC1CCCC1=O 23864 [0,0,0,1,0,0|1,0,1]=3 22 B9R0.5 CCCCCC(=O)OCC 15737 [2,0,0,0,0,0|0,0,0]=2 23 B9R0.5 CCOC(=O)CCCCBr 3955 [2,0,0,0,0,0|1,0,0]=3 24 B9R0.5 CCOC(=O)CCCCN 31885 [2,0,0,0,0,0|1,0,0]=3 25 B9R0.45 CCCCCCCCCBr 3809 [2,0,0,0,0,0|1,0,1]=4 26 B9R0.45 CCCCCCCCCI 3958 [2,0,0,0,0,0|1,0,1]=4 27 B9R0.46 COC(=O)CCCCCBr 16910 [2,0,0,0,0,0|1,0,0]=3 28 B9R0.2 CC(=O)OCCCCCCl 3676 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.2 CCCCCCCC(=O)[O-] 12870 [2,0,0,0,0,0|0,0,1]=3 30 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 18980 [1,1,0,0,0,0|1,0,0]=3 31 B11R0.3 CCCCCCCCCCCBr 3840 [1,1,0,0,0,0|1,0,1]=4 32 B11R0.3 CCCCCCCCCCCO 35937 [1,1,0,0,0,0|1,0,1]=4 33 B11R0.148 CCCCCCCCC[C@H](C)O 15557 [1,1,0,0,0,0|1,0,1]=4 34 B11R0.106 COC(=O)CCCCC(=O)OC 35801 [1,1,0,0,0,0|1,0,1]=4 35 B13R0.367 CCOC(=O)CCCCC(Cl)CCCl 36161 [0,2,0,0,0,0|0,0,0]=2 36 B13R0.18 CCOC(=O)CC[C@H](N)C(=O)OCC 10483 [0,2,0,0,0,0|1,0,1]=4 37 B13R0.89 CCOC(=O)CC(O)CC(=O)OCC 32037 [0,2,0,0,0,0|1,0,1]=4 38 B11R1.16 CCOC(=O)C1CCCCC1 36040 [1,0,0,1,0,0|0,0,0]=2 39 B11R1.16 CCOC(=O)C1CCCCN1 17507 [1,0,0,1,0,0|1,0,0]=3 40 B11R1.16 CCOC(=O)C1CCCCN1 7720 [1,0,0,1,0,0|1,0,0]=3 41 B11R1.16 CCOC(=O)C1CCCNC1 7719 [1,0,0,1,0,0|1,0,0]=3 42 B11R1.16 CCOC(=O)C1CCNCC1 26169 [1,0,0,1,0,0|1,0,0]=3 43 B11R1.16 CCOC(=O)C1CCNCC1 7219 [1,0,0,1,0,0|1,0,0]=3 44 B11R1.16 CCOC(=O)C1CNCCO1 32242 [1,0,0,1,0,0|2,0,0]=4 45 B11R1.16 CCOC(=O)C1SCCCS1 22055 [1,0,0,1,0,0|2,0,0]=4 46 B11R1.16 CCOC(=O)N1CCNCC1 15287 [1,0,0,1,0,0|2,0,0]=4 47 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 23481 [1,0,0,1,0,0|1,0,0]=3 48 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 11757 [1,0,0,1,0,0|1,0,0]=3 49 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 16883 [1,0,0,1,0,0|1,0,0]=3 50 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 5874 [1,0,0,1,0,0|1,0,0]=3 51 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11758 [1,0,0,1,0,0|1,0,0]=3 52 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11760 [1,0,0,1,0,0|1,0,0]=3 53 B11R1.30 CCOC(=O)CC1CCCO1 15629 [1,0,0,1,0,0|1,0,0]=3 54 B11R1.199 CCOC(=O)C1CCCC1=O 14157 [1,0,0,1,0,0|1,0,1]=4 55 B11R1.40 COC(=O)CC1CCCCC1 20243 [1,0,0,1,0,0|0,0,0]=2 56 B11R1.40 COC(=O)CC1CCCNC1 11376 [1,0,0,1,0,0|1,0,0]=3 57 B11R1.40 COC(=O)CC1CCNCC1 14078 [1,0,0,1,0,0|1,0,0]=3 58 B11R1.40 COC(=O)CC1CCNCC1 14079 [1,0,0,1,0,0|1,0,0]=3 59 B11R1.40 COC(=O)CC1COCCN1 24086 [1,0,0,1,0,0|2,0,0]=4 60 B11R1.40 COC(=O)C[C@@H]1CCCNC1 11381 [1,0,0,1,0,0|1,0,0]=3 61 B11R1.40 COC(=O)C[C@@H]1COCCN1 17872 [1,0,0,1,0,0|2,0,0]=4 62 B11R1.40 COC(=O)C[C@H]1CCCNC1 11385 [1,0,0,1,0,0|1,0,0]=3 63 B11R1.222 COC(=O)[C@H]1COCC[C@H]1N 19309 [1,0,0,1,0,0|2,0,0]=4 64 B13R1.42 CCNC(=O)COC1CCCNC1 18470 [0,1,0,1,0,0|2,0,0]=4 65 B13R1.348 CC(Cl)OC(=O)OC1CCCCC1 16784 [0,1,0,1,0,0|1,0,0]=3 66 B13R1.47 CCOC(=O)C(=O)C1CCCCC1 34655 [0,1,0,1,0,0|0,0,1]=3 67 B13R1.12 CCOC(=O)C1CCCC(Br)C1=O 20305 [0,1,0,1,0,0|1,0,1]=4 68 B13R1.19 CCOC(=O)C[C@H]1CC[C@H](N)CC1 19313 [0,1,0,1,0,0|0,0,0]=2 69 B13R1.1515 CCOC(=O)[C@@H]1C[C@H]1C(=O)OCC 35778 [0,1,0,1,0,0|1,0,1]=4 70 B13R2.856 CCOC(=O)C1CC2C=CC1C2 21643 [0,0,0,2,0,0|0,0,2]=4