0 B9R0.2 CCCCCCC[13C](=O)O BB54-5277 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.2 CCCCSCCC(=O)O BB54-0237 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 CCOCCCNC(N)=O BB01-7613 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.2 N=C(N)NCCCCCO BB56-0224 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.4 C=CCCNCCOC BB58-0794 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.7 CCCCNCC(=O)O BB20-0185 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.7 COCCCNC(N)=O BB01-7612 [1,0,0,0,0,0|3,0,0]=4 7 B10R0.4 CCCCSCCSC(=N)N BB54-1801 [0,1,0,0,0,0|3,0,0]=4 8 B10R0.74 CCCCCCCC(=O)NN BB12-3109 [0,1,0,0,0,0|1,0,0]=2 9 B10R0.78 COCCN(C)CCC(=O)O BB12-3622 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.10 CCCN1CCCC(=O)C1 BB55-8107 [0,0,0,1,0,0|2,0,0]=3 11 B10R1.18 NC(=O)CN1CCNCC1 BB12-1770 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.18 NC(=O)NC1CCCCC1 BB01-7608 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.18 O=C(O)CC1CCCCN1 BB54-1500 [0,0,0,1,0,0|1,0,0]=2 14 B10R1.18 O=C(O)CC1CCCCO1 BB54-2724 [0,0,0,1,0,0|1,0,0]=2 15 B10R1.18 O=C(O)CC1CCCOC1 BB12-1753 [0,0,0,1,0,0|1,0,0]=2 16 B10R1.18 O=C(O)CC1CNCCO1 BB58-3589 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.18 O=C(O)CN1CCCCC1 BB12-3617 [0,0,0,1,0,0|1,0,0]=2 18 B10R1.18 O=C(O)CN1CCCCC1 BB56-2134 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.18 O=C(O)CN1CCOCC1 BB05-3789 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.18 O=C(O)CN1CCOCC1 BB56-2894 [0,0,0,1,0,0|2,0,0]=3 21 B10R1.18 O=C(O)CN1CCSCC1 BB55-4774 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.18 O=[N+]([O-])CC1CCCCO1 BB57-4929 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.39 CCN1CCC[C@H]1C(=O)O BB12-3032 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.61 CN1CCCCC1C(=O)O BB54-3898 [0,0,0,1,0,0|1,0,0]=2 25 B10R1.61 NC(=O)C1CCCCC1=O BB12-2086 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.61 NC(=O)C1CCCCC1N BB55-6549 [0,0,0,1,0,0|2,0,0]=3 27 B10R1.61 NC1CC=CCC1C(=O)O BB57-4278 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.61 NC1CCCCC1C(=O)O BB57-4267 [0,0,0,1,0,0|1,0,0]=2 29 B10R1.61 O=C(O)C1CCCNC1=O BB12-1633 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.61 OC(=O)[C@@H]1CCCC[C@H]1N BB01-8381 [0,0,0,1,0,0|1,0,0]=2 31 B10R1.66 CC(O)CCC1CCCO1 BB54-0092 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.66 NC(=O)NCC1CCCO1 BB01-7601 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.66 O=C(O)CCC1CCCO1 BB54-2864 [0,0,0,1,0,0|1,0,0]=2 34 B10R1.66 O=C(O)CCN1CCCC1 BB05-3788 [0,0,0,1,0,0|1,0,0]=2 35 B10R1.162 O=C1CCCCC(CO)N1 BB58-2836 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.348 N=C(N)N1CCCCCC1 BB58-4193 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.348 O=C(O)C1CCCCCN1 BB58-3124 [0,0,0,1,0,0|1,0,0]=2 38 B7R0.1 CCCCOCCN BB53-1642 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.1 CCCCSCCN BB57-6671 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.1 CCCCSCCO BB54-1800 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.1 [C-]#[N+]CCCCCC BB56-1203 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.4 CCCNCC(=O)O BB20-0186 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.4 CCCOCC(=O)O BB55-7872 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.4 CCCSCC(=O)O BB12-3263 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.4 CCOCCC(=O)Cl BB58-1931 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 CCSCCC(=O)O BB12-3270 [2,0,0,0,0,0|1,0,0]=3 47 B7R0.4 O=C(O)CNCCO BB58-1263 [2,0,0,0,0,0|2,0,0]=4 48 B9R0.45 CCCCCC#CCCO BB12-2262 [1,1,0,0,0,0|0,0,2]=4 49 B9R0.4 COCCN(C)CC(=O)O BB12-3659 [1,1,0,0,0,0|2,0,0]=4 50 B11R0.30 NC(=O)NCCCCCC(=O)O BB31-2601 [0,2,0,0,0,0|1,0,1]=4 51 B11R0.40 C=CS(=O)CCCCCCCC BB54-1798 [0,2,0,0,0,0|2,0,0]=4 52 B11R0.148 CCCCSCCCCC(=O)O BB54-4514 [0,2,0,0,0,0|0,0,0]=2 53 B11R0.148 O=C(O)CCOCCOCCO BB31-9991 [0,2,0,0,0,0|1,0,0]=3 54 B11R0.4 CCCCCCNC(=O)CC#N BB12-1364 [0,2,0,0,0,0|2,0,0]=4 55 B11R0.4 CCCCSCCC(=O)OCC BB54-0238 [0,2,0,0,0,0|1,0,0]=3 56 B11R0.70 COCCN(C)CCC(=O)OC BB12-3649 [0,2,0,0,0,0|2,0,0]=4 57 B9R1.8 CNCC1CCCCO1 BB12-3612 [1,0,0,1,0,0|1,0,1]=4 58 B9R1.8 NCCC1CCCCC1 BB55-8639 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.8 NCCC1CCCCO1 BB57-6510 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.8 O=CCC1CCCOC1 BB58-0314 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.8 OCCC1CCCCO1 BB58-1902 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.8 OCCC1CCCOC1 BB58-0315 [1,0,0,1,0,0|1,0,1]=4 63 B9R1.12 CCCCC1CCCN1 BB56-0702 [1,0,0,1,0,0|1,0,1]=4 64 B9R1.12 CCCCC1CCNC1 BB56-1976 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.12 NCCCC1CCCC1 BB32-3179 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.14 CCN1CCCC1CO BB12-1536 [1,0,0,1,0,0|1,0,1]=4 67 B9R1.15 CC1CCCC\C1=N\O BB12-1622 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.15 CCC1SCCNC1=O BB57-3971 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB58-0623 [1,0,0,1,0,0|1,0,1]=4 70 B9R1.15 O=CC1CCCCC1=O BB12-3722 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.33 O=C1CCCN1CCBr BB55-6495 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.33 O=C1CCCN1CCCl BB55-7854 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.50 O=C1CCCCCCC1 BB12-2910 [1,0,0,1,0,0|0,0,0]=2 74 B9R1.89 [C-]#[N+]C1CCCCCC1 BB56-1665 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.6 NC(=O)C1CCCCN1 BB57-5817 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.6 NC(=O)C1CCCOC1 BB12-2057 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.6 NC(=O)C1CCOCC1 BB55-7979 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.6 NC(=O)[C@@H]1CCCNC1 BB31-2173 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.6 NC(=S)C1CCCCC1 BB57-4606 [1,0,0,1,0,0|1,1,0]=4 80 B9R1.6 O=C(O)C1CCCCO1 BB54-4838 [1,0,0,1,0,0|1,0,0]=3 81 B9R1.6 O=C(O)C1CCCNC1 BB12-3026 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.6 O=C(O)C1CCCOC1 BB54-3665 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.6 O=C(O)C1CCNCC1 BB12-3027 [1,0,0,1,0,0|1,0,0]=3 84 B9R1.6 O=C(O)C1CCSCN1 BB54-3501 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.6 O=C(O)C1COCCO1 BB58-3665 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.7 CCCC1CNC(=O)C1 BB55-7002 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.13 O=C(O)CC1CCCO1 BB54-2725 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.13 O=C(O)CN1CCCC1 BB12-2458 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.41 CN1CCCC1C(=O)O BB12-1652 [1,0,0,1,0,0|1,0,0]=3 90 B9R1.41 CN1CSCC1C(=O)O BB12-1635 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.48 CC1CCCCC(=O)N1 BB58-0638 [1,0,0,1,0,0|1,0,0]=3 92 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O BB12-1877 [1,0,0,1,0,0|0,0,0]=2 93 B9R1.84 O=C(O)CCC1CCC1 BB57-2132 [1,0,0,1,0,0|0,0,0]=2 94 B9R1.85 O=C(O)CSCC1CC1 BB12-3262 [1,0,0,1,0,0|1,0,0]=3 95 B11R1.90 O=C(O)CCC1CCOC1=O BB54-4909 [0,1,0,1,0,0|1,0,1]=4 96 B11R1.157 O=C(O)CN1CCCC(O)C1 BB12-1741 [0,1,0,1,0,0|1,0,0]=3 97 B11R1.172 O=C(O)CCCN1CCCC1 BB31-6636 [0,1,0,1,0,0|0,0,0]=2 98 B11R1.172 O=C(O)CCNC1=NCCC1 BB52-7676 [0,1,0,1,0,0|1,0,1]=4 99 B11R1.172 O=C(O)COCC1CCCO1 BB54-1031 [0,1,0,1,0,0|1,0,0]=3 100 B11R1.86 O=C(O)CN1CCCCC1=O BB55-4756 [0,1,0,1,0,0|1,0,1]=4 101 B11R1.91 NC(=O)CCN1CCNCC1 BB54-3383 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.91 O=C(O)CCC1CCCCN1 BB54-4041 [0,1,0,1,0,0|0,0,0]=2 103 B11R1.91 O=C(O)CCC1CCCNC1 BB54-3377 [0,1,0,1,0,0|0,0,0]=2 104 B11R1.91 O=C(O)CCC1CCNCC1 BB55-8640 [0,1,0,1,0,0|0,0,0]=2 105 B11R1.91 O=C(O)CCN1CCOCC1 BB01-4157 [0,1,0,1,0,0|1,0,0]=3 106 B11R1.91 O=C(O)COC1CCNCC1 BB57-1740 [0,1,0,1,0,0|1,0,0]=3 107 B11R1.193 C=CCN1CCC[C@H]1C(=O)O BB12-2694 [0,1,0,1,0,0|0,0,2]=4 108 B11R1.193 CCCN1CCCC1C(=O)O BB58-0838 [0,1,0,1,0,0|0,0,0]=2 109 B11R1.928 CC1(CC(=O)O)CCCCC1 BB58-5102 [0,1,0,1,0,0|0,0,0]=2 110 B11R1.928 NC1(CC(=O)O)CCOCC1 BB58-1554 [0,1,0,1,0,0|1,0,0]=3 111 B11R1.928 NC1(CC(=O)O)CCSCC1 BB26-0838 [0,1,0,1,0,0|1,0,0]=3 112 B11R1.20 CC1CCC(CC(=O)O)CC1 BB58-4368 [0,1,0,1,0,0|0,0,0]=2 113 B11R1.20 CC1CCN(CC(=O)O)CC1 BB56-2199 [0,1,0,1,0,0|1,0,0]=3 114 B11R1.20 CN1CCC(CC(=O)O)CC1 BB32-3695 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.20 NC(=O)CN1CCC(N)CC1 BB53-1289 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.20 NC1CCN(CC(=O)O)CC1 BB12-1759 [0,1,0,1,0,0|1,0,0]=3 117 B11R1.20 O=C(O)CN1CCC(O)CC1 BB12-3702 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.313 CN1C(=O)CCC1CC(=O)O BB54-4136 [0,1,0,1,0,0|1,0,1]=4 119 B11R1.25 COC(=O)CCN1CCCC1 BB57-2017 [0,1,0,1,0,0|1,0,0]=3 120 B11R1.40 CNC(=O)CC1CCNCC1 BB53-1321 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.40 COC(=O)CN1CCNCC1 BB01-4015 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.40 COC(=O)CN1CCOCC1 BB12-2252 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.40 C\C(CN1CCCCC1)=N/O BB05-0886 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.40 NCC(=O)NC1CCCCC1 BB53-1341 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.40 NNC(=O)CC1CCNCC1 BB12-2460 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.222 COC(=O)C1CCCCC1N BB57-4268 [0,1,0,1,0,0|1,0,0]=3 127 B11R1.35 O=C(O)C(=O)NC1CCCC1 BB55-4697 [0,1,0,1,0,0|1,0,1]=4 128 B11R1.36 CC(C(=O)O)N1CCCCC1 BB55-6243 [0,1,0,1,0,0|1,0,0]=3 129 B11R1.36 CC(C(=O)O)N1CCNCC1 BB12-2180 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.36 CC(C(=O)O)N1CCOCC1 BB55-6241 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.497 O=C1CCCCC(C(=O)O)N1 BB20-3012 [0,1,0,1,0,0|1,0,1]=4 132 B11R1.737 NC(=O)C1(N)CCCCCC1 BB55-7965 [0,1,0,1,0,0|1,0,0]=3 133 B11R1.737 NC1(C(=O)O)CCCCCC1 BB55-6496 [0,1,0,1,0,0|0,0,0]=2 134 B11R1.178 CC(C)N1CCCC1C(N)=O BB57-2251 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O BB12-2725 [0,1,0,1,0,0|1,0,0]=3 136 B11R2.106 O=C1CCNC2CCCC12 BB54-5685 [0,0,0,2,0,0|2,0,0]=4 137 B11R2.1 O=C1CCC2CNCCN12 BB31-8967 [0,0,0,2,0,0|2,0,0]=4 138 B11R2.10 O=C1OC2CCCCC2O1 BB54-0661 [0,0,0,2,0,0|1,0,0]=3 139 B11R2.1852 O=C(O)C1C2CCCCC21 BB56-0805 [0,0,0,2,0,0|0,0,0]=2