0 B10R0.4 CCCCCCCCC(=O)O C01601 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.2 CCCCCCCC(=O)O C06423 [1,0,0,0,0,0|0,0,0]=1 2 B9R0.2 O=C(O)CCCCCCS C16593 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.2 O=CCCCCCC(=O)O C16590 [1,0,0,0,0,0|1,0,1]=3 4 B9R0.45 CCCCCCCCCO C14696 [1,0,0,0,0,0|0,0,1]=2 5 B9R0.45 CSCCCCC\C=N\O C17246 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.45 OCCCCCCCCO C14218 [1,0,0,0,0,0|1,0,1]=3 7 B11R0.30 CC(C)\C=C\CCCCC(=O)O C18202 [0,1,0,0,0,0|0,0,2]=3 8 B11R0.30 O=C(O)CCCCCCC(=O)O C08278 [0,1,0,0,0,0|1,0,1]=3 9 B11R0.42 CSCCCCCC(=O)C(=O)O C17220 [0,1,0,0,0,0|1,0,1]=3 10 B11R0.42 CSCCCCC[C@H](N)C(=O)O C17221 [0,1,0,0,0,0|1,0,0]=2 11 B11R0.42 NCCCNCCC(N)C(=O)O C18174 [0,1,0,0,0,0|2,0,0]=3 12 B11R0.111 [*]SC(=O)CCCCCC(=O)O C19845 [0,1,0,0,0,0|2,0,1]=4 13 B11R0.148 CCCCCCCCCC(=O)O C01571 [0,1,0,0,0,0|0,0,0]=1 14 B11R0.148 CCCCCCCCCC(C)=O C01875 [0,1,0,0,0,0|1,0,0]=2 15 B11R0.148 O=CCCCCCCCC(=O)O C16322 [0,1,0,0,0,0|0,0,1]=2 16 B11R0.148 [*]NCCNCCNCC(=O)O C18370 [0,1,0,0,0,0|3,0,0]=4 17 B11R0.176 NC(=O)CCCCC(S)CCS C00579 [0,1,0,0,0,0|2,0,0]=3 18 B11R0.176 O=C(O)CCCCC(S)CCS C02147 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.27 CCCCC[C@H]1CCC(=O)O1 C08501 [0,0,0,1,0,0|0,0,0]=1 20 B11R1.86 CC(=O)CC1CCCCN1C C06184 [0,0,0,1,0,0|2,0,0]=3 21 B8R0.4 CCCCCCCC=O C01545 [2,0,0,0,0,0|0,0,0]=2 22 B8R0.4 CCCCCCCCN C01740 [2,0,0,0,0,0|1,0,0]=3 23 B8R0.4 CCCCCCCCO C00756 [2,0,0,0,0,0|0,0,0]=2 24 B8R0.4 CCCCC\C=C\C=O C21138 [2,0,0,0,0,0|0,0,2]=4 25 B8R0.7 CCCCCCC(=O)O C17714 [2,0,0,0,0,0|0,0,0]=2 26 B8R0.7 NCCCCCC(=O)O C02378 [2,0,0,0,0,0|1,0,0]=3 27 B8R0.7 O=C(O)CCCCCO C06103 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.7 O=CCCCCC(=O)O C06102 [2,0,0,0,0,0|1,0,1]=4 29 B10R0.6 CCCCCC(O)CC(=O)O C20793 [1,1,0,0,0,0|0,0,0]=2 30 B10R0.74 [*]NC(=O)CCCCCCC C16236 [1,1,0,0,0,0|1,0,0]=3 31 B10R0.74 [*]SC(=O)CCCCCCC C05752 [1,1,0,0,0,0|0,1,0]=3 32 B10R0.75 CNCCCC[C@H](N)C(=O)O C02728 [1,1,0,0,0,0|1,0,0]=3 33 B10R0.75 CSCCCCC(=O)C(=O)O C17216 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.75 CSCCCC[C@H](N)C(=O)O C17217 [1,1,0,0,0,0|1,0,0]=3 35 B10R0.75 N[C@@H](CCCCNO)C(=O)O C01028 [1,1,0,0,0,0|2,0,0]=4 36 B10R0.97 CC(=O)NCCCCC(=O)O C03087 [1,1,0,0,0,0|1,0,1]=4 37 B10R0.97 O=C(O)CCCCCC(=O)O C02656 [1,1,0,0,0,0|1,0,1]=4 38 B10R0.71 CCCCCCCCCC=O C12307 [1,1,0,0,0,0|0,0,0]=2 39 B10R0.71 CCCCCCCCCCO C01633 [1,1,0,0,0,0|0,0,1]=3 40 B10R0.71 CSCCCCCC\C=N\O C17249 [1,1,0,0,0,0|1,0,0]=3 41 B10R0.91 CCCCCC(O)\C=C\C=O C21642 [1,1,0,0,0,0|0,0,2]=4 42 B12R0.4 CCCCCCCC(=O)CC(=O)O C20714 [0,2,0,0,0,0|0,0,0]=2 43 B12R0.270 CC(=O)NCCCC(N)CC(=O)O C03846 [0,2,0,0,0,0|1,0,1]=4 44 B12R0.270 CC(=O)NCCC[C@H](N)CC(=O)O C21604 [0,2,0,0,0,0|1,0,1]=4 45 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O C02727 [0,2,0,0,0,0|1,0,1]=4 46 B12R0.42 CC(N)C(=O)CCCCCC(=O)O C01092 [0,2,0,0,0,0|0,0,1]=3 47 B12R0.42 CC(N)C(N)CCCCCC(=O)O C01037 [0,2,0,0,0,0|0,0,0]=2 48 B12R0.248 CCCCCCCCCC(=O)NO C12889 [0,2,0,0,0,0|0,0,0]=2 49 B12R0.248 [*]SC(=O)CCCCCCCCC C05755 [0,2,0,0,0,0|0,1,0]=3 50 B12R0.248 [*]SC(=O)C\C=C/CCCCCC C04180 [0,2,0,0,0,0|0,1,1]=4 51 B12R0.248 [*]SC(=O)\C=C\CCCCCCC C05754 [0,2,0,0,0,0|0,1,1]=4 52 B12R0.251 CCCCCCCCC(=O)C(=O)O C13945 [0,2,0,0,0,0|0,0,0]=2 53 B12R0.251 CSCCCCCCC(=O)C(=O)O C17224 [0,2,0,0,0,0|0,0,1]=3 54 B12R0.251 CSCCCCCC[C@H](N)C(=O)O C17225 [0,2,0,0,0,0|0,0,0]=2 55 B12R0.251 NCCCCNCCC(N)C(=O)O C18172 [0,2,0,0,0,0|1,0,0]=3 56 B12R0.276 [*]NC(=O)CCCCC(S)CCS C02972 [0,2,0,0,0,0|2,0,0]=4 57 B12R0.276 [*]NC(=O)CCCCC(S)CCS C15973 [0,2,0,0,0,0|2,0,0]=4 58 B12R0.276 [*]NC(=O)CCCC[C@@H](S)CCS C16832 [0,2,0,0,0,0|2,0,0]=4 59 B12R0.234 C=CCCCCCCCCC(=O)O C13910 [0,2,0,0,0,0|0,0,0]=2 60 B12R0.234 CC(=O)NCCCCNCCCN C01029 [0,2,0,0,0,0|2,0,0]=4 61 B12R0.234 CC(=O)NCCCNCCCCN C00612 [0,2,0,0,0,0|2,0,0]=4 62 B12R0.234 CCCCCCCCCCC(=O)O C17715 [0,2,0,0,0,0|0,0,0]=2 63 B12R0.234 O=C(O)CCCCCCCCCO C02774 [0,2,0,0,0,0|0,0,0]=2 64 B12R0.234 O=CCCCCCCCCC(=O)O C02217 [0,2,0,0,0,0|0,0,0]=2 65 B12R0.268 O=C(O)CCCCCCCC(=O)O C08261 [0,2,0,0,0,0|0,0,1]=3 66 B10R1.18 CC(=O)CC1CCCCN1 C06182 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.18 CC(=O)OC1CCCCC1 C12297 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.64 CC(=O)C[C@@H]1CCCN1C C11359 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.64 CC(=O)C[C@H]1CCCN1C C06179 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.348 O=C(O)C1CCCCCC1 C12104 [1,0,0,1,0,0|0,0,0]=2 71 B10R1.4 CCC[C@H]1CCCCN1C C10159 [1,0,0,1,0,0|2,0,0]=4 72 B12R1.255 NC(=O)CCCCC1CCSS1 C00248 [0,1,0,1,0,0|2,0,0]=4 73 B12R1.255 O=C(O)CCCCC1CCSS1 C00725 [0,1,0,1,0,0|1,0,0]=3 74 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 C16241 [0,1,0,1,0,0|1,0,0]=3 75 B12R2.612 [C@H]12CC[C@@H](C)[C@H]1COC(=O)C2 C09772 [0,0,0,2,0,0|2,0,0]=4 76 B12R2.1154 CN1C2CCCC1CC(=O)C2 C10865 [0,0,0,2,0,0|2,0,0]=4