0 B11R0.148 C(CCCCCCCCC)(=N)N T31312 [0,0,0,0,0,0|2,0,0]=2 1 B11R0.148 CCCCCCC/C=C/C(O)=O T7332 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.148 CCCCCCC/C=C\C(O)=O TQ0251 [0,0,0,0,0,0|0,0,2]=2 3 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,0,0,0,0,0|1,0,0]=1 4 B11R0.148 CCCCCCCCCC(C)O T22221 [0,0,0,0,0,0|1,0,1]=2 5 B11R0.148 CCCCCCCCCC(F)=O T31304 [0,0,0,0,0,0|1,0,0]=1 6 B11R0.148 CCCCCCCCCC(N)=O T31308 [0,0,0,0,0,0|1,0,0]=1 7 B11R0.148 CCCCCCCCCC(O)=O T30126 [0,0,0,0,0,0|0,0,0]=0 8 B11R0.148 CCCCCCCCCC(O)=O T33472 [0,0,0,0,0,0|0,0,0]=0 9 B11R0.148 CCCCCCCCCC(O)=O T33485 [0,0,0,0,0,0|0,0,0]=0 10 B11R0.148 CCCCCCCCCC(O)=O T3379 [0,0,0,0,0,0|0,0,0]=0 11 B11R0.148 CCCCCCCCCC(O)=O T34161 [0,0,0,0,0,0|0,0,0]=0 12 B11R0.148 CCCCCCCCCC([O-])=O T21240 [0,0,0,0,0,0|0,0,1]=1 13 B11R0.148 CCCCCCCCCC([O-])=O T30689 [0,0,0,0,0,0|0,0,1]=1 14 B11R0.148 CCCCCCCCCC([O-])=O T30994 [0,0,0,0,0,0|0,0,1]=1 15 B11R0.148 CCCCCCCCCC([O-])=O T31345 [0,0,0,0,0,0|0,0,1]=1 16 B11R0.148 CCCCCCCCCC([O-])=O T33164 [0,0,0,0,0,0|0,0,1]=1 17 B11R0.148 CCCCCCCCCC([O-])=O T34116 [0,0,0,0,0,0|0,0,1]=1 18 B11R0.148 CCCCCCCCCC([O-])=O T35308 [0,0,0,0,0,0|0,0,1]=1 19 B11R0.148 CCCCCCCCOC(C)=O T5667 [0,0,0,0,0,0|2,0,0]=2 20 B11R0.148 CCCCCCC\C=C\C(O)=O T29343 [0,0,0,0,0,0|0,0,2]=2 21 B11R0.148 NCCCCCCCNC(N)=N T11372 [0,0,0,0,0,0|4,0,0]=4 22 B11R0.148 NCCOCCOCCC(O)=O T14228 [0,0,0,0,0,0|3,0,0]=3 23 B11R0.148 OC(=O)CCOCCOCC#C T16597 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.148 OC(=O)CCOCCOCCBr T14789 [0,0,0,0,0,0|3,0,0]=3 25 B11R0.148 OCCOCCOCCC(O)=O T15515 [0,0,0,0,0,0|3,0,0]=3 26 B10R0.4 C(CCCCC)CCC(C)C T29356 [1,0,0,0,0,0|2,0,1]=4 27 B10R0.4 CC(=O)CCCCCCC=C T29489 [1,0,0,0,0,0|1,0,2]=4 28 B10R0.4 CCCCCCCCC(C)C T31326 [1,0,0,0,0,0|2,0,1]=4 29 B10R0.4 CCCCCCCCC(O)=O T3947 [1,0,0,0,0,0|0,0,0]=1 30 B10R0.4 CCCCCCCC[C@@H](C)Br T31325 [1,0,0,0,0,0|2,0,1]=4 31 B10R0.4 CCCCCCCC[C@@H](C)O T31300 [1,0,0,0,0,0|1,0,1]=3 32 B10R0.4 CCCCCCCOC(C)=O TN6701 [1,0,0,0,0,0|2,0,0]=3 33 B10R0.4 NCCCCCCCC(O)=O T8102 [1,0,0,0,0,0|1,0,0]=2 34 B10R0.4 NCCOCCOCC(O)=O T15459 [1,0,0,0,0,0|3,0,0]=4 35 B10R0.4 OCCOCCOCC(O)=O T15521 [1,0,0,0,0,0|3,0,0]=4 36 B10R0.71 C(CCCCC)CCCCCl T21123 [1,0,0,0,0,0|1,0,1]=3 37 B10R0.71 C(CCCCC)CCCCO T21101 [1,0,0,0,0,0|0,0,1]=2 38 B10R0.71 C(CCCCC)CCCCO T30679 [1,0,0,0,0,0|0,0,1]=2 39 B10R0.71 CCCCCCCCCC#N T21184 [1,0,0,0,0,0|1,0,1]=3 40 B10R0.71 CCCCCCCCCC=O T8086 [1,0,0,0,0,0|0,0,0]=1 41 B10R0.71 CCCCCCCCCCBr T31355 [1,0,0,0,0,0|1,0,1]=3 42 B10R0.71 CCCCCCCCCCC TN2458 [1,0,0,0,0,0|1,0,1]=3 43 B10R0.71 CCCCCCCCCCCl T30897 [1,0,0,0,0,0|1,0,1]=3 44 B10R0.71 CCCCCCCCCCF T21116 [1,0,0,0,0,0|1,0,1]=3 45 B10R0.71 CCCCCCCCCCI T21125 [1,0,0,0,0,0|1,0,1]=3 46 B10R0.71 CCCCCCCCCCO T31347 [1,0,0,0,0,0|0,0,1]=2 47 B10R0.71 CCCCCSCCCCC T20315 [1,0,0,0,0,0|2,0,1]=4 48 B10R0.71 OCCCCCCCCC#C T17346 [1,0,0,0,0,0|0,0,3]=4 49 B12R0.4 CCCCCCCC(O)CC(O)=O T7565 [0,1,0,0,0,0|0,0,0]=1 50 B12R0.233 CCCCCC(=O)CCCC(O)=O T29465 [0,1,0,0,0,0|0,0,1]=2 51 B12R0.233 CCCCCC(O)CCCC([O-])=O T29457 [0,1,0,0,0,0|0,0,1]=2 52 B12R0.234 CC(=O)NCCCCNCCCN T19466 [0,1,0,0,0,0|3,0,0]=4 53 B12R0.234 CCCCCCCC/C=C/C(O)=O T19589 [0,1,0,0,0,0|0,0,1]=2 54 B12R0.234 CCCCCCCCCCC(O)=O T3948 [0,1,0,0,0,0|0,0,0]=1 55 B12R0.234 CCCCCCCCCCS(C)=O T29297 [0,1,0,0,0,0|2,0,0]=3 56 B12R0.234 CNCCOCCOCCC(O)=O T16049 [0,1,0,0,0,0|2,0,0]=3 57 B12R0.234 COCCOCCOCCC(Cl)=O T15863 [0,1,0,0,0,0|3,0,0]=4 58 B12R0.234 COCCOCCOCCC(O)=O T15845 [0,1,0,0,0,0|2,0,0]=3 59 B12R0.234 NCCOCCOCCCC(O)=O T14230 [0,1,0,0,0,0|2,0,0]=3 60 B12R0.234 OC(=O)CCCCCCCCC=C T0306 [0,1,0,0,0,0|0,0,1]=2 61 B12R0.234 OCCCCCCC/C=C/C(O)=O T3250 [0,1,0,0,0,0|0,0,2]=3 62 B12R0.234 OCCCCCCCCCC(O)=O TMO2685 [0,1,0,0,0,0|0,0,0]=1 63 B12R0.234 [O-]C(=O)CCCCCCCCC=C T0744 [0,1,0,0,0,0|0,0,2]=3 64 B12R0.248 CCCCCCCCCC(=O)NC T31309 [0,1,0,0,0,0|1,0,0]=2 65 B12R0.248 CCCCCCCCCC(=O)NN T31346 [0,1,0,0,0,0|1,0,0]=2 66 B12R0.248 CCCCCCCCCC(=O)NO T33614 [0,1,0,0,0,0|0,0,0]=1 67 B12R0.248 CCCCCCCCCC(=O)OC T33337 [0,1,0,0,0,0|0,0,0]=1 68 B12R0.248 COC(=O)CCOCCOCCO T15516 [0,1,0,0,0,0|3,0,0]=4 69 B12R0.251 CCCCCCCC[C@@H](C)C(O)=O T31341 [0,1,0,0,0,0|0,0,0]=1 70 B12R0.251 CCCCCCCC[C@H](O)C(O)=O T29352 [0,1,0,0,0,0|0,0,0]=1 71 B12R0.268 CC(=O)CCCCCCCC(O)=O T31343 [0,1,0,0,0,0|0,0,1]=2 72 B12R0.268 OC(=O)CCCCCCCC(O)=O T0926 [0,1,0,0,0,0|1,0,1]=3 73 B12R0.277 CCOC(=O)CCCCCC(O)=O T18363 [0,1,0,0,0,0|1,0,1]=3 74 B12R1.7 CCCC#CCC1CCC(=O)O1 TN5132 [0,0,0,1,0,0|0,0,2]=3 75 B12R1.7 CCCCCCC1CCC(=O)O1 T8078 [0,0,0,1,0,0|0,0,0]=1 76 B12R1.28 CC/C=C\CC1CCCC(=O)O1 T32266 [0,0,0,1,0,0|0,0,2]=3 77 B12R1.28 CCCCCC1CCCC(=O)O1 T40815 [0,0,0,1,0,0|0,0,0]=1 78 B12R1.252 OC(=O)CCCC1CCCCC1 T20374 [0,0,0,1,0,0|0,0,0]=1 79 B12R1.255 NC(=O)CCCCC1CCSS1 T0823 [0,0,0,1,0,0|3,0,0]=4 80 B12R1.255 O=C(O)CCCCC1SSCC1 T2930 [0,0,0,1,0,0|2,0,0]=3 81 B12R1.255 OC(=O)CCCCC1CCSS1 T0200 [0,0,0,1,0,0|2,0,0]=3 82 B12R1.255 OC(=O)CCCCC1CCSS1 T15695 [0,0,0,1,0,0|2,0,0]=3 83 B12R1.255 OC(=O)CCCC[C@@H]1CCSS1 T22235 [0,0,0,1,0,0|2,0,0]=3 84 B9R0.2 CCCCC/C=C/C(O)=O T5261 [2,0,0,0,0,0|0,0,2]=4 85 B9R0.2 CCCCCCCC(C)=O T29360 [2,0,0,0,0,0|1,0,0]=3 86 B9R0.2 CCCCCCCC(C)O TN6692 [2,0,0,0,0,0|1,0,1]=4 87 B9R0.2 CCCCCCCC(O)=O T3946 [2,0,0,0,0,0|0,0,0]=2 88 B9R0.2 CCCCCNCC(N)=O T24465 [2,0,0,0,0,0|2,0,0]=4 89 B9R0.2 CCCCCNCC(N)=O T50055 [2,0,0,0,0,0|2,0,0]=4 90 B9R0.2 CNCCOCCC(O)=O T16047 [2,0,0,0,0,0|2,0,0]=4 91 B9R0.2 COCCOCCC(O)=O T15841 [2,0,0,0,0,0|2,0,0]=4 92 B9R0.2 NOCCCCCC(O)=O T18489 [2,0,0,0,0,0|2,0,0]=4 93 B9R0.2 OC(=O)CCCCCC#C T17345 [2,0,0,0,0,0|0,0,2]=4 94 B9R0.45 C=CCCCCCCCC T21040 [2,0,0,0,0,0|0,0,1]=3 95 B9R0.45 CCCCCCCCCO TN6912 [2,0,0,0,0,0|0,0,0]=2 96 B11R0.2 CCCCCCC(=O)CC(C)=O T31334 [1,1,0,0,0,0|1,0,1]=4 97 B11R0.30 CC(=O)NCCCCCC(O)=O T0436 [1,1,0,0,0,0|1,0,1]=4 98 B11R0.30 OC(=O)CCCCCCC(O)=O T4734 [1,1,0,0,0,0|1,0,1]=4 99 B11R0.40 CCCCCCCCC(=C)C=O T31306 [1,1,0,0,0,0|1,0,0]=3 100 B11R0.40 CCCCCCCCC(=O)C=O T31307 [1,1,0,0,0,0|0,0,1]=3 101 B11R0.40 CCCCCCCCC(=O)OC TN6918 [1,1,0,0,0,0|0,0,0]=2 102 B11R0.40 CCCCCCCC[C@@H](Br)C=O T29336 [1,1,0,0,0,0|1,0,1]=4 103 B11R0.40 CCCCCCCC[C@@H](O)CO T21141 [1,1,0,0,0,0|0,0,2]=4 104 B11R0.40 CCCCCCCC[C@H](C)C=O T29253 [1,1,0,0,0,0|1,0,1]=4 105 B11R0.176 OC(=O)CCCCC(S)CCS T21233 [1,1,0,0,0,0|1,0,0]=3 106 B11R0.176 OC(=O)CCCC[C@@H](S)CCS T21234 [1,1,0,0,0,0|1,0,0]=3 107 B11R0.3 BrCCCCCCCCCCBr T21133 [1,1,0,0,0,0|1,0,1]=4 108 B11R0.3 C(CCCCC[NH3+])CCCC[NH3+] T29266 [1,1,0,0,0,0|1,0,1]=4 109 B11R0.3 CCCCCC/C=C/CCC=O T29255 [1,1,0,0,0,0|0,0,1]=3 110 B11R0.3 CCCCCCCCCCC=O TN6898 [1,1,0,0,0,0|0,0,0]=2 111 B11R0.3 CCCCCCCCCCCC TN6897 [1,1,0,0,0,0|1,0,1]=4 112 B11R0.3 CCCCCCCCCCCO T7480 [1,1,0,0,0,0|0,0,1]=3 113 B11R0.3 CCCCCCCCCCOC T31321 [1,1,0,0,0,0|0,0,1]=3 114 B11R0.3 COCCOCCOCCC=O T15850 [1,1,0,0,0,0|2,0,0]=4 115 B11R0.3 FCCCCCCCCCCBr T31319 [1,1,0,0,0,0|1,0,1]=4 116 B11R0.3 FCCCCCCCCCCCl T31320 [1,1,0,0,0,0|1,0,1]=4 117 B11R0.3 FCCCCCCCCCCF T31317 [1,1,0,0,0,0|1,0,1]=4 118 B11R0.3 ICCCCCCCCCCI T21134 [1,1,0,0,0,0|1,0,1]=4 119 B11R0.3 OCCCCCCCCCC=C T22216 [1,1,0,0,0,0|1,0,0]=3 120 B11R0.3 OCCCCCCCCCCF T31348 [1,1,0,0,0,0|0,0,1]=3 121 B11R0.3 OCCCCCCCCCCO T21096 [1,1,0,0,0,0|0,0,1]=3 122 B11R0.3 SCCCCCCCCCCS T21143 [1,1,0,0,0,0|0,1,1]=4 123 B13R0.280 CCCCCCCCCCP(O)(O)=O T21191 [0,2,0,0,0,0|1,0,0]=3 124 B13R0.280 CCCCCCCCCCS(O)(=O)=O T31358 [0,2,0,0,0,0|1,0,0]=3 125 B13R0.54 CCCCCC/C=C\CCCC(O)=O T8240 [0,2,0,0,0,0|0,0,0]=2 126 B13R0.54 CCCCCCCCCCCC(C)=O T9502 [0,2,0,0,0,0|1,0,0]=3 127 B13R0.54 CCCCCCCCCCCC(O)=O T6873 [0,2,0,0,0,0|0,0,0]=2 128 B13R0.54 CCCCCCCCCCCC([O-])=O T30004 [0,2,0,0,0,0|0,0,1]=3 129 B13R0.54 CCCCOCCOCCOC(C)=O T20251 [0,2,0,0,0,0|2,0,0]=4 130 B13R0.54 NCCCCCCCCCCC(O)=O T17323 [0,2,0,0,0,0|0,0,0]=2 131 B13R0.54 NCCOCCOCCOCC(O)=O T14236 [0,2,0,0,0,0|2,0,0]=4 132 B13R0.54 OC(=O)COCCOCCOCCBr T14769 [0,2,0,0,0,0|2,0,0]=4 133 B13R0.54 OCCOCCOCCOCC(O)=O T18629 [0,2,0,0,0,0|2,0,0]=4 134 B13R0.54 OOCCCCCCCCCC(O)=O T33476 [0,2,0,0,0,0|0,0,0]=2 135 B13R0.147 CCCCCCCCCCC(=O)OC T9505 [0,2,0,0,0,0|0,0,0]=2 136 B13R0.147 COC(CCCCCCCCC=C)=O T9296 [0,2,0,0,0,0|0,0,1]=3 137 B13R0.150 CCCCCCCCCC(=O)N(C)C T21111 [0,2,0,0,0,0|1,0,0]=3 138 B13R0.179 C(CCCCC(=O)O)CCCC(=O)O T3732 [0,2,0,0,0,0|0,0,1]=3 139 B13R0.179 NC(=O)CCCCCCCCC(N)=O T34596 [0,2,0,0,0,0|1,0,1]=4 140 B13R0.179 NC(=O)CCCCCCCCC(O)=O T34595 [0,2,0,0,0,0|0,0,1]=3 141 B13R0.179 NC(=O)CCCCCCCCC([O-])=O T34679 [0,2,0,0,0,0|0,0,2]=4 142 B13R0.179 O=C(O)CCCCCCCCC(O)=O T31337 [0,2,0,0,0,0|0,0,1]=3 143 B13R0.179 OC(=O)CCCCCCCCC(O)=O T34069 [0,2,0,0,0,0|0,0,1]=3 144 B13R0.179 [O-]C(=O)CCCCCCCCC([O-])=O T31111 [0,2,0,0,0,0|0,0,2]=4 145 B13R0.179 [O-]C(=O)CCCCCCCCC([O-])=O T31528 [0,2,0,0,0,0|0,0,2]=4 146 B13R0.2 CCCCCCCCCC(=O)OCC T31708 [0,2,0,0,0,0|0,0,0]=2 147 B13R0.412 CCCCCCCCCC(CC)C=O T29346 [0,2,0,0,0,0|1,0,1]=4 148 B13R0.412 CCCCCCCCCC(OC)OC T31302 [0,2,0,0,0,0|0,0,2]=4 149 B13R0.61 CCCCCCCCC(CC)C(O)=O T31340 [0,2,0,0,0,0|0,0,0]=2 150 B11R1.24 CCCCC1CCCC(=O)O1 TN6697 [1,0,0,1,0,0|0,0,0]=2 151 B11R1.27 CCCCCC1CCC(O1)=O TN6700 [1,0,0,1,0,0|0,0,0]=2 152 B11R1.86 CN1CCCCC1CC(C)=O TN4560 [1,0,0,1,0,0|2,0,0]=4 153 B13R1.27 CCCCCCCC1CCC(O1)=O TN6744 [0,1,0,1,0,0|0,0,0]=2 154 B13R1.6 CCCCCCC1OCCC(C)O1 T29277 [0,1,0,1,0,0|1,0,1]=4 155 B13R1.1711 ONC(=N)CCN1CCCCCC1 T34733 [0,1,0,1,0,0|2,0,0]=4 156 B13R1.3688 CCCCCCC1(C)CCC(=O)O1 T31472 [0,1,0,1,0,0|0,0,0]=2