0 B12R0.1 CCOC(=O)CCCCCCCBr E53317 [0,0,0,0,0,0|1,0,0]=1 1 B12R0.1 CCOC(=O)CCCCCN=[N+]=[N-] E9808 [0,0,0,0,0,0|3,0,0]=3 2 B11R0.3 CCCCCCCCCCCO U67607 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.4 CCOC(=O)CCCCCCBr E50560 [1,0,0,0,0,0|1,0,0]=2 4 B11R0.4 CCOC(=O)CCCCCCN E52216 [1,0,0,0,0,0|1,0,0]=2 5 B11R0.4 CCOC(=O)CCCCN=[N+]=[N-] A9113 [1,0,0,0,0,0|3,0,0]=4 6 B11R0.40 CCCCCCC=CC(=O)OC M39622 [1,0,0,0,0,0|0,0,2]=3 7 B13R0.2 CCCCCCCCOC(=O)CC#N X55039 [0,1,0,0,0,0|2,0,1]=4 8 B13R0.88 CC(C)CCCCCOC(=O)CCS M39662 [0,1,0,0,0,0|3,0,0]=4 9 B13R0.367 CCOC(=O)CCCC[C@H](Cl)CCCl E53275 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.6 CCCCCC[C@H]1CCCC(=O)O1 H55090 [0,0,0,1,0,0|2,0,0]=3 11 B13R1.42 CCOC(=O)CO[C@@H]1CCCCO1 E50521 [0,0,0,1,0,0|2,0,0]=3 12 B13R1.463 CCOC(=O)[C@@H]1CCNCCC1=O E52197 [0,0,0,1,0,0|2,0,1]=4 13 B13R1.463 CCOC(=O)[C@@H]1CCSCCC1=O E10055 [0,0,0,1,0,0|2,0,1]=4 14 B13R1.470 CCOC(=O)CC1CCNCC1C E20779 [0,0,0,1,0,0|1,0,0]=2 15 B10R0.1 CCOC(=O)CCCCCBr E39444 [2,0,0,0,0,0|1,0,0]=3 16 B10R0.1 CCOC(=O)CCCCCO E47160 [2,0,0,0,0,0|1,0,0]=3 17 B10R0.74 CCCCCCCC(=O)NO X67416 [2,0,0,0,0,0|2,0,0]=4 18 B10R0.74 COC(=O)CCCCCCBr M47141 [2,0,0,0,0,0|1,0,0]=3 19 B10R0.74 COC(=O)CCCCCCN M49584 [2,0,0,0,0,0|1,0,0]=3 20 B10R0.4 CCCCCCCCB(O)O O4860 [2,0,0,0,0,0|1,0,1]=4 21 B10R0.4 CCCCCCCCC(C)=O D53335 [2,0,0,0,0,0|0,0,0]=2 22 B10R0.4 NCCCCCCCC(=O)O A69217 [2,0,0,0,0,0|1,0,0]=3 23 B10R0.4 O=C(O)CCCCCCCBr B47140 [2,0,0,0,0,0|1,0,0]=3 24 B12R0.5 CCCCCCCCCCCCO D64921 [1,1,0,0,0,0|1,0,1]=4 25 B12R0.5 CCOCCCCCCCCCO E64231 [1,1,0,0,0,0|0,0,1]=3 26 B12R0.4 CCCCCCCC(=O)CC(C)C M67611 [1,1,0,0,0,0|1,0,0]=3 27 B12R0.114 CCCCCC[C@H](Br)C(=O)OCC E39628 [1,1,0,0,0,0|0,0,0]=2 28 B12R0.114 CCOC(=O)C(=O)CCCCCCl E50480 [1,1,0,0,0,0|1,0,1]=4 29 B12R0.277 CCOC(=O)CCCCCC(=O)O E50517 [1,1,0,0,0,0|1,0,1]=4 30 B12R0.183 COC(=O)CCCCCC(=O)OC D31456 [1,1,0,0,0,0|1,0,1]=4 31 B12R0.184 COC(=O)CCCCCCC(=O)O M50518 [1,1,0,0,0,0|1,0,1]=4 32 B12R0.184 COC(=O)CCNCCCN(C)C M50612 [1,1,0,0,0,0|2,0,0]=4 33 B14R0.1 CCOC(=O)CCSCCC(=O)OCC D53280 [0,2,0,0,0,0|1,0,1]=4 34 B14R0.393 CCCCCCCCCCC(=O)OCC E39710 [0,2,0,0,0,0|0,0,0]=2 35 B14R0.94 CC(C)(C)OC(=O)NCCCCCCBr B38191 [0,2,0,0,0,0|2,0,0]=4 36 B14R0.94 CC(C)(C)OC(=O)NCCCCCCN B68010 [0,2,0,0,0,0|2,0,0]=4 37 B14R0.94 CC(C)(C)OC(=O)NCCCCCCO B68736 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.32 CCOC(=O)CC1CCNCC1 E0928 [1,0,0,1,0,0|1,0,0]=3 39 B12R1.32 CCOC(=O)CC1CCNCC1 E24428 [1,0,0,1,0,0|1,0,0]=3 40 B12R1.32 CCOC(=O)CC1CCOCC1 E8052 [1,0,0,1,0,0|1,0,0]=3 41 B12R1.32 CCOC(=O)CN1CCOCC1 E47127 [1,0,0,1,0,0|2,0,0]=4 42 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 E10869 [1,0,0,1,0,0|1,0,0]=3 43 B12R1.308 CCOC(=O)C1CCCCC1O E50509 [1,0,0,1,0,0|1,0,0]=3 44 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O E50439 [1,0,0,1,0,0|1,0,1]=4 45 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C E50530 [1,0,0,1,0,0|1,0,0]=3 46 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O E50512 [1,0,0,1,0,0|1,0,0]=3 47 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O E50513 [1,0,0,1,0,0|1,0,0]=3 48 B12R1.308 CCOC(=O)[C@@H]1CCCN[C@@H]1C E29500 [1,0,0,1,0,0|1,0,0]=3 49 B12R1.310 CCOC(=O)CCCNC1CC1 E50533 [1,0,0,1,0,0|1,0,0]=3 50 B12R1.318 CCOC(=O)C[C@H]1CCCC1=O E50438 [1,0,0,1,0,0|1,0,1]=4 51 B12R1.1 CCCCCC1CCC(=O)CC1 P55088 [1,0,0,1,0,0|0,0,0]=2 52 B12R1.1 CCCCCC1CCC(O)CC1 P55142 [1,0,0,1,0,0|0,0,2]=4 53 B12R1.27 COC(=O)CO[C@@H]1CCCCO1 M47106 [1,0,0,1,0,0|2,0,0]=4 54 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O M50440 [1,0,0,1,0,0|1,0,1]=4 55 B12R1.371 COC(=O)CC1CNCCC1C M30168 [1,0,0,1,0,0|1,0,0]=3 56 B14R2.836 CCOC(=O)[C@H]1CC12CCOCC2 E11553 [0,0,0,2,0,0|1,0,0]=3 57 B14R2.9886 CCOC(=O)[C@@H]1CNC[C@H]1C2CC2 E60466 [0,0,0,2,0,0|1,0,0]=3 58 B14R2.9904 CCOC(=O)[C@H]1NC[C@@H]2CCC[C@H]12 E54208 [0,0,0,2,0,0|1,0,0]=3 59 B14R2.2711 CCOC(=O)CN1CC2CCC1C2 E53231 [0,0,0,2,0,0|1,0,0]=3 60 B14R2.839 CCOC(=O)C1CC2CNCC2C1 E13231 [0,0,0,2,0,0|1,0,0]=3