0 B11R0.4 CCCCCC#CC(=O)OCC S414107 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.4 CCCCCCCC(=O)CCC CDS001481 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.4 CCCCCCCC(=O)OCCl PH007966 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.4 CCOC(=O)CCCCCCO R174513 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.1 CCCNCCC(=O)OCC OTV000022 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.74 CCCCCC#CC(=O)CC S128325 [1,0,0,0,0,0|0,0,2]=3 6 B10R0.74 CCCCCCCC(=O)CC S544043 [1,0,0,0,0,0|0,0,2]=3 7 B10R0.74 CCCCCCNC(=O)NC S892793 [1,0,0,0,0,0|2,0,1]=4 8 B10R0.74 CCCCCCOC(=O)CCl OTV000847 [1,0,0,0,0,0|2,0,1]=4 9 B12R0.1 CCCCOCCOC(=O)CCC PH008717 [0,1,0,0,0,0|2,0,1]=4 10 B12R0.4 CCCCCCCC(=O)CC(C)C S350397 [0,1,0,0,0,0|1,0,2]=4 11 B12R0.4 CCCCCCCC(=O)CC(C)C S879290 [0,1,0,0,0,0|1,0,2]=4 12 B12R0.4 CCCCCCCC(=O)OC(C)C CDS000544 [0,1,0,0,0,0|0,0,2]=3 13 B12R0.114 CCOC(=O)C(=O)CCCCCCl CDS020993 [0,1,0,0,0,0|1,0,1]=3 14 B12R0.239 CCCCOC(=O)CC(=O)OCC S810886 [0,1,0,0,0,0|1,0,1]=3 15 B12R1.28 CCCCOC1=CC(=O)CCC1 PH011428 [0,0,0,1,0,0|2,0,0]=3 16 B12R1.32 CCCC(=O)NC1CCCCC1 PH009069 [0,0,0,1,0,0|2,0,1]=4 17 B12R1.32 CCNC(=O)NC1CCCCC1 S603562 [0,0,0,1,0,0|2,0,1]=4 18 B12R1.32 CCOC(=O)C=C1CCOCC1 PHB00281 [0,0,0,1,0,0|1,0,0]=2 19 B12R1.32 CCOC(=O)CC1=CCCCC1 S368830 [0,0,0,1,0,0|0,0,2]=3 20 B12R1.32 CCOC(=O)CC1CCCNC1 PH010419 [0,0,0,1,0,0|1,0,2]=4 21 B12R1.32 CCOC(=O)CC1CCCNC1 PHB00138 [0,0,0,1,0,0|1,0,2]=4 22 B12R1.32 CCOC(=O)CC1CCNCC1 CDS003461 [0,0,0,1,0,0|1,0,2]=4 23 B12R1.32 CCOC(=O)CN1CCOCC1 PH011005 [0,0,0,1,0,0|2,0,1]=4 24 B12R1.32 CCOC(=O)NC1CCCCC1 S361593 [0,0,0,1,0,0|1,0,1]=3 25 B12R1.456 CCCCCC1=CC(=O)CC1C T202762 [0,0,0,1,0,0|1,0,0]=2 26 B12R1.1564 CCOC(=O)N1CCCCCC1 T168556 [0,0,0,1,0,0|1,0,1]=3 27 B12R1.1564 CCOC(=O)N1CCCNCC1 PH015507 [0,0,0,1,0,0|2,0,1]=4 28 B9R0.5 CCCCCC(=O)CCC S411825 [2,0,0,0,0,0|1,0,0]=3 29 B9R0.5 CCCCNC(=O)CCC EME00389 [2,0,0,0,0,0|2,0,0]=4 30 B9R0.5 CCCCNC(=O)NCC S802077 [2,0,0,0,0,0|2,0,0]=4 31 B9R0.5 CCCCNC(=O)OCC S406988 [2,0,0,0,0,0|1,0,0]=3 32 B9R0.5 CCOC(=O)CCCCI S677175 [2,0,0,0,0,0|1,0,0]=3 33 B9R0.5 CCOC(=O)CCCCN CDS023812 [2,0,0,0,0,0|1,0,0]=3 34 B9R0.5 CCOC(=O)NCCCBr PH001320 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.5 [C-]#[N+]CCCC(=O)OCC PH015035 [2,0,0,0,0,0|1,0,1]=4 36 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [2,0,0,0,0,0|0,0,2]=4 37 B9R0.46 CCCCC#CC(=O)OC PH000094 [2,0,0,0,0,0|0,0,2]=4 38 B9R0.46 CCCCCNC(=O)CCl S627690 [2,0,0,0,0,0|2,0,0]=4 39 B9R0.46 COC(=O)CCCCCBr S125334 [2,0,0,0,0,0|1,0,1]=4 40 B9R0.2 CCCC/C=C/CC(=O)O CDS000466 [2,0,0,0,0,0|0,0,2]=4 41 B11R0.2 CC(C)OC(=O)CCCCCCl S362891 [1,1,0,0,0,0|1,0,1]=4 42 B11R0.2 CCCCCCC(=O)CC(C)C S350567 [1,1,0,0,0,0|1,0,1]=4 43 B11R0.5 CCCCC(N)CC(=O)OCC CBR00803 [1,1,0,0,0,0|0,0,1]=3 44 B11R0.155 CCOC(=O)C(=O)NCCOC OTV000320 [1,1,0,0,0,0|2,0,0]=4 45 B11R0.176 CCOC(=O)OCCCN(C)C S389528 [1,1,0,0,0,0|2,0,0]=4 46 B11R0.42 CCCCCCCC(=O)C(C)C S561193 [1,1,0,0,0,0|0,0,2]=4 47 B13R0.2 C(=C\CCC(=O)OCC)\CCCCC R277754 [0,2,0,0,0,0|0,0,0]=2 48 B13R0.88 CCOC(=O)NCCCCNC(C)C PH013076 [0,2,0,0,0,0|1,0,1]=4 49 B13R0.275 CCCCCC/C=C(\C)/C(=O)OCC S884383 [0,2,0,0,0,0|0,0,0]=2 50 B13R0.275 CCCCCCCC(Br)C(=O)OCC PH006096 [0,2,0,0,0,0|0,0,2]=4 51 B13R0.275 CCCCCCNC(=O)C(=O)OCC R622389 [0,2,0,0,0,0|0,0,1]=3 52 B13R0.286 CCCCC/C=C/C(=O)OC(C)(C)C T172510 [0,2,0,0,0,0|0,0,0]=2 53 B13R0.17 C(=C\[C@@H](C)C[C@H](C)C=C)\C(=O)OCC T268763 [0,2,0,0,0,0|0,0,2]=4 54 B13R0.176 CCCOC(=O)/C=C\C(=O)OCCC S653128 [0,2,0,0,0,0|1,0,1]=4 55 B13R0.59 CCCCCCC(C#N)C(=O)OCC T253391 [0,2,0,0,0,0|0,0,2]=4 56 B13R0.806 CCCCCCC(C)(N)C(=O)OCC PH012381 [0,2,0,0,0,0|0,0,2]=4 57 B13R0.338 CCCCCCCC(=O)OCCCC CDS000585 [0,2,0,0,0,0|0,0,2]=4 58 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 CDS003427 [1,0,0,1,0,0|1,0,1]=4 59 B11R1.30 CCOC(=O)CC1CCCC1 S433101 [1,0,0,1,0,0|0,0,1]=3 60 B11R1.101 O=C1C=CCCCCCCC1 T231835 [1,0,0,1,0,0|1,0,0]=3 61 B11R1.101 O=C1CCCCCCCCN1 S929964 [1,0,0,1,0,0|1,0,1]=4 62 B11R1.180 CCCCCC1CCCC1=O S148938 [1,0,0,1,0,0|1,0,1]=4 63 B11R1.25 COC(=O)CCC1CCCC1 EME00045 [1,0,0,1,0,0|0,0,2]=4 64 B11R1.27 CCCCSC1=CC(=O)CC1 T217042 [1,0,0,1,0,0|1,0,0]=3 65 B11R1.40 C(=C1CCCCC1)C(=O)OC T184454 [1,0,0,1,0,0|0,0,0]=2 66 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [1,0,0,1,0,0|1,0,1]=4 67 B11R1.214 CCCCC1=CC=C(S1)CC TMT00664 [1,0,0,1,0,0|0,1,1]=4 68 B13R1.42 CCOC(=O)CCC1CCCCC1 R278807 [0,1,0,1,0,0|0,0,2]=4 69 B13R1.42 CCOC(=O)COC1CCCCO1 PH001194 [0,1,0,1,0,0|1,0,1]=4 70 B13R1.404 CCOC(=O)CNCC1CCCO1 CDS021648 [0,1,0,1,0,0|1,0,1]=4 71 B13R1.463 CCOC(=O)C1CCCCCC1=O PH000254 [0,1,0,1,0,0|0,0,1]=3 72 B13R1.1575 C(=C\1/CCCCCN1)\C(=O)OCC T284157 [0,1,0,1,0,0|0,0,0]=2 73 B13R1.1575 CCOC(=O)NN1CCCCCC1 PH009331 [0,1,0,1,0,0|1,0,1]=4 74 B13R1.2851 CCCCCC1CC1C(=O)OCC T172472 [0,1,0,1,0,0|0,0,2]=4 75 B13R1.348 CC(C)OC(=O)NC1CCCCC1 S624799 [0,1,0,1,0,0|1,0,1]=4 76 B13R1.47 CCOC(=O)C(C)N1CCCCC1 PH011976 [0,1,0,1,0,0|1,0,1]=4 77 B13R1.44 CCCOC(=O)NC1CCCCC1 S624802 [0,1,0,1,0,0|1,0,1]=4 78 B13R1.44 O=C(NC1CCCCC1)OCCCl S624934 [0,1,0,1,0,0|1,0,1]=4 79 B13R1.33 CCOC(=O)/C=C(/C)\N1CCCC1 S672076 [0,1,0,1,0,0|1,0,0]=3 80 B13R1.2570 CCOC(=O)CC1(CCCCC1)N CBR01025 [0,1,0,1,0,0|0,0,2]=4 81 B13R1.2570 CCOC(=O)CC1(CCCCC1)O S37339 [0,1,0,1,0,0|0,0,2]=4 82 B13R1.2570 CCOC(=O)CC1(CCCCC1)O S853046 [0,1,0,1,0,0|0,0,2]=4 83 B13R1.19 CCOC(=O)NC1CCC(CC1)O EME00426 [0,1,0,1,0,0|1,0,1]=4 84 B13R2.4023 O=C1OC(=O)C2=C1CCCCC2 T168920 [0,0,0,2,0,0|1,0,1]=4 85 B13R2.816 [C@@H]12CCN([C@@H]1CC2)C(=O)OCC T168580 [0,0,0,2,0,0|1,0,1]=4