0 B8R0.6 CCCCOC(=O)CN BB31-9514 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.6 CCNCCC(=O)OC BB31-6215 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.1 CCCNCCOC BB31-6246 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.4 N#CCCCC(=O)O BB31-7795 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.4 NC(=O)CCCCO BB31-4574 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 O=C([O-])COCCO BB31-2744 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 OB(O)CCCCBr BB31-5383 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.1 C=C(C)CCCC(=O)OC BB32-1876 [0,1,0,0,0,0|0,0,1]=2 8 B9R0.24 CCC(=O)CCC(=O)CC BB31-4562 [0,1,0,0,0,0|1,0,1]=3 9 B9R0.47 CCCCCC(=O)N(C)C BB31-6255 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.1 CON1CCC(=O)CC1 BB31-8752 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.1 NCC1CCC(=O)NC1 BB32-1698 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.1 O=C1CCC(CBr)CC1 BB31-3860 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.1 O=C1CO[C@H](CO)CN1 BB31-8603 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.1 O=CC1CCC(=O)CC1 BB31-5251 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.2 COC1=CC(=O)CCC1 BB31-3355 [0,0,0,1,0,0|2,0,1]=4 16 B9R1.2 CO[C@@H]1CCN[C@@H](C)C1 BB32-0123 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.7 CCCC1=NNC(=O)C1 BB52-7288 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.7 CCCC1COC(=O)O1 BB31-8496 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.11 O=C(CBr)N1CCCC1 BB53-1057 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.79 COC(=O)CC1COC1 BB31-2235 [0,0,0,1,0,0|1,0,0]=2 21 B9R1.89 COC1CCCNCC1 BB31-2531 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.118 COC1(C)CCNCC1 BB32-1706 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.132 CN1C(=O)CCC1CO BB31-5269 [0,0,0,1,0,0|2,0,0]=3 24 B6R0.6 CNCCCCCl BB31-7841 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.1 C#CCC(=O)OC BB32-1580 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.1 CCCC(=O)CCl BB31-4027 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.4 CC(=O)CCCBr BB31-6000 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.4 CCCCC(=N)N BB31-8730 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 COCOC(C)=O BB32-2824 [2,0,0,0,0,0|2,0,0]=4 30 B8R0.4 CCCCOCCOC BB31-4759 [1,1,0,0,0,0|0,0,1]=3 31 B8R0.4 COCCOCCCBr BB31-5717 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.7 CCCCCC[C@H](C)N BB31-5438 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.8 CCCCC(=O)[C@H](C)N BB31-2998 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.9 CCC(=O)NCC(C)C BB32-3399 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.9 COC(=O)CNC(C)=O BB31-6237 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.19 CC[C@H](O)CC(=O)OC BB31-5331 [1,1,0,0,0,0|0,0,0]=2 38 B8R0.19 COC(=O)N[C@@H](C)CN BB31-0922 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [1,1,0,0,0,0|0,0,0]=2 40 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [1,1,0,0,0,0|0,0,0]=2 41 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [1,1,0,0,0,0|0,0,2]=4 42 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.28 O=C(O)CCC[N+](=O)[O-] BB31-3252 [1,1,0,0,0,0|2,0,0]=4 44 B10R0.3 C=C(C)CCCC(=O)OCC BB32-1627 [0,2,0,0,0,0|0,0,1]=3 45 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O BB31-4956 [0,2,0,0,0,0|1,0,1]=4 46 B10R0.57 COC(=O)[C@H](N)CCC(N)=O BB32-3917 [0,2,0,0,0,0|1,0,1]=4 47 B10R0.1 CCOC(=O)CNCCC#N BB31-6245 [0,2,0,0,0,0|1,0,1]=4 48 B10R0.18 C#CCCC(=O)CC(=O)OC BB31-0074 [0,2,0,0,0,0|0,0,2]=4 49 B10R0.18 CCOCC(=O)CC(=O)OC BB32-1709 [0,2,0,0,0,0|0,0,1]=3 50 B8R1.2 CCC1CCCNC1 BB31-8098 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.2 CC[C@@H]1COCCN1 BB31-8706 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.2 CC[C@@H]1COCCN1 BB32-1053 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.2 CO[C@H]1CCCNC1 BB31-5248 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.8 CCNC1CCOC1 BB31-1875 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.22 CC1CCCCCN1 BB32-1446 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.3 CC1CNC(=O)CO1 BB31-1811 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.3 NC1CCC(=O)NC1 BB31-0976 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.3 N[C@@H]1CCC(=O)NC1 BB31-0068 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.3 O=C1CC[C@@H](O)CN1 BB31-0348 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.38 COC(=O)C1COC1 BB31-3226 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.38 O=C(CBr)C1CCC1 BB31-1832 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.40 COC(=O)CC1CC1 BB32-1998 [1,0,0,1,0,0|0,0,0]=2 65 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [1,0,0,1,0,0|1,0,0]=3 70 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.6 COCC1CC(=O)C1 BB31-5157 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.6 N#CCC1CC(=O)C1 BB31-3932 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [1,0,0,1,0,0|1,0,0]=3 75 B8R1.7 CC(N)C1CCCC1 BB32-0478 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.7 C[C@@H](N)C1CCCC1 BB31-2754 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.31 CC1CCC1C(=O)O BB31-4909 [1,0,0,1,0,0|0,0,0]=2 82 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.34 CC(=O)NC1CNC1 BB31-0276 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.34 O=C(O)CC1COC1 BB31-1686 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O BB32-1878 [1,0,0,1,0,0|1,0,1]=4 86 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 BB31-4192 [0,1,0,1,0,0|0,0,2]=4 87 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 BB31-1920 [0,1,0,1,0,0|0,0,1]=3 88 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 BB31-8179 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 BB31-5268 [0,1,0,1,0,0|0,0,0]=2 90 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 BB31-3489 [0,1,0,1,0,0|0,0,0]=2 91 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 BB31-3426 [0,1,0,1,0,0|0,0,0]=2 92 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 BB31-1508 [0,1,0,1,0,0|1,0,0]=3 93 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 BB32-2988 [0,1,0,1,0,0|1,0,0]=3 94 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 BB31-1919 [0,1,0,1,0,0|0,0,1]=3 95 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 BB32-0731 [0,1,0,1,0,0|0,0,0]=2 96 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 BB31-2804 [0,1,0,1,0,0|1,0,0]=3 97 B10R1.54 CC(C)C[C@H]1COC(=O)N1 BB32-0436 [0,1,0,1,0,0|1,0,0]=3 98 B10R1.11 CCOC(=O)C1=CCCC1 BB31-0334 [0,1,0,1,0,0|0,0,2]=4 99 B10R1.11 O=C(CCCl)N1CCCC1 BB52-9326 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.135 CCOC(=O)C1CC1C#N BB32-3111 [0,1,0,1,0,0|1,0,1]=4 101 B10R1.137 CCOC(=O)CC1CCC1 BB32-1564 [0,1,0,1,0,0|0,0,0]=2 102 B10R1.137 CCOC(=O)CC1COC1 BB31-9281 [0,1,0,1,0,0|1,0,0]=3 103 B10R1.138 CCOC(=O)\C=C\C1CC1 BB31-4156 [0,1,0,1,0,0|0,0,2]=4 104 B10R1.15 CCC(=O)C1CCOCC1 BB31-8702 [0,1,0,1,0,0|1,0,0]=3 105 B10R1.15 CCC(=O)N1CCNCC1 BB52-8931 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.15 CNC(=O)C1CCCNC1 BB32-2420 [0,1,0,1,0,0|1,0,0]=3 107 B10R1.15 CNC(=O)C1CCNCC1 BB31-3974 [0,1,0,1,0,0|1,0,0]=3 108 B10R1.15 COC(=O)C1=CCNCC1 BB31-6196 [0,1,0,1,0,0|0,0,2]=4 109 B10R1.15 COC(=O)C1=CCOCC1 BB31-7947 [0,1,0,1,0,0|0,0,2]=4 110 B10R1.15 COC(=O)C1=COCCC1 BB31-6594 [0,1,0,1,0,0|0,0,2]=4 111 B10R1.15 COC(=O)C1CCSCC1 BB31-1822 [0,1,0,1,0,0|0,0,0]=2 112 B10R1.15 COC(=O)N1CCNCC1 BB52-9825 [0,1,0,1,0,0|1,0,0]=3 113 B10R1.15 COC(=O)[C@H]1COCCN1 BB31-5008 [0,1,0,1,0,0|1,0,0]=3 114 B10R1.15 COC(=O)[C@H]1COCCN1 BB31-9151 [0,1,0,1,0,0|1,0,0]=3 115 B10R1.15 O=C(CBr)N1CCCCC1 BB52-9290 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.182 COC(=O)[C@@H](N)C1CCC1 BB31-2238 [0,1,0,1,0,0|0,0,0]=2 117 B10R1.411 COC(=O)[C@@]1(C)CCCN1 BB31-1844 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.27 COC(=O)C[C@H]1CCCN1 BB32-1710 [0,1,0,1,0,0|0,0,0]=2 119 B10R1.27 COC(=O)C[C@H]1CCNC1 BB31-0316 [0,1,0,1,0,0|0,0,0]=2 120 B10R1.149 COC(=O)C1OCCC1=O BB31-7530 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.149 COC(=O)[C@@H]1CCCN1C BB32-1741 [0,1,0,1,0,0|0,0,0]=2 122 B10R1.23 CC(Br)C(=O)N1CCCC1 BB52-9873 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.23 CC(N)C(=O)N1CCCC1 BB32-1230 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 BB32-0903 [0,1,0,1,0,0|2,0,0]=4 125 B10R2.178 O=C1CCC2CCC1N2 BB31-3938 [0,0,0,2,0,0|2,0,0]=4 126 B10R2.335 O=C1CCC2(CC1)CC2 BB31-3031 [0,0,0,2,0,0|1,0,0]=3 127 B10R2.2 O=C1CC2CNCC2C1 BB31-1561 [0,0,0,2,0,0|2,0,0]=4 128 B10R2.14 O=C1CC(C2CC2)CN1 BB31-1588 [0,0,0,2,0,0|1,0,0]=3 129 B10R2.332 O=C1CC2(CN1)COC2 BB31-8963 [0,0,0,2,0,0|2,0,0]=4