0 B7R0.4 COCCNC(N)=S BB31-0310 [0,0,0,0,0,0|3,1,0]=4 1 B7R0.4 N#CCCCC(=O)O BB31-7795 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 NC(=O)CCCCO BB31-4574 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.4 O=C([O-])COCCO BB31-2744 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 CC(=O)CCCBr BB31-6000 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.4 CCCCC(=N)N BB31-8730 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.4 COCCC(=N)N BB31-7023 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 COCOC(C)=O BB32-2824 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.4 NCCNC(N)=O BB32-3910 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 O=[N+]([O-])CCCO BB31-4344 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.6 CNCCCCCl BB31-7841 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.5 CCCC(C)CC(C)=O BB32-3065 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.5 CCC[C@H](N)CC(=O)O BB32-3503 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.5 CCC\C(C)=C\C(=O)O BB31-5804 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.6 CCCCOC(=O)CN BB31-9514 [0,1,0,0,0,0|0,0,0]=1 15 B8R0.6 CCNCCC(=O)OC BB31-6215 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.7 CC(C)CCCCCO BB31-3290 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.7 CCCCCC[C@H](C)N BB31-5438 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.8 CCCCC(=O)C(=O)O BB31-4311 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.8 CCCCC(=O)[C@H](C)N BB31-2998 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.9 CCC(C)CCC(C)=O BB31-3584 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.9 COC(=O)CNC(C)=O BB31-6237 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.28 CC(=O)CCOC(C)=O BB31-0205 [0,1,0,0,0,0|0,0,1]=2 23 B8R1.1 N#CC1CCC(=O)C1 BB32-2063 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.1 N#CC1CNC(=O)C1 BB31-6774 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.1 NCC1CCC(=O)N1 BB31-5970 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.1 NCC1CNC(=O)O1 BB31-3233 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.1 O=C1N[C@@H](CI)CO1 BB31-2803 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.1 O=C1N[C@H](CO)CO1 BB31-1953 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.4 CC1CCNC(=O)C1 BB31-5195 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.4 CC1CCOC(=O)O1 BB31-3403 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.4 CN1CCCC(=O)C1 BB31-5533 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.4 C[C@@H]1COCC(=O)N1 BB31-1397 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 C[C@H]1CC(=O)CCN1 BB32-0051 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.4 O=C1CCCC(O)C1 BB31-8636 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.4 O=C1C[C@H](O)CCN1 BB31-8745 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.6 COCC1CC(=O)C1 BB31-5157 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.6 N#CCC1CC(=O)C1 BB31-3932 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.7 CC(=O)[C@@H]1CCCO1 BB31-1725 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.7 CC(N)C1CCCC1 BB32-0478 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.7 C[C@@H](N)C1CCCC1 BB31-2754 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.7 NC(=O)[C@@H]1CCNC1 BB31-1778 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.7 NC(=O)[C@H]1CCNC1 BB31-1805 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.7 O=C(O)C1CCCS1 BB32-0695 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.7 O=C(O)[C@H]1CCNC1 BB31-5430 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.22 CC1CCCCCN1 BB32-1446 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.22 NC1=NCCCCC1 BB52-7687 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.22 O=C1CCCCNC1 BB32-3316 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.22 O=C1CCCOCC1 BB32-3102 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.22 O=C1CNCCCN1 BB31-5486 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.22 O=C1CNCCCN1 BB31-6324 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.31 CC1CCC1C(=O)O BB31-4909 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O BB31-3568 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.34 CC(=O)NC1CNC1 BB31-0276 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.34 CC(C)OC1CNC1 BB51-2848 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.34 O=C(O)CC1COC1 BB31-1686 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.72 CC1(C)CNCCO1 BB31-3353 [0,0,0,1,0,0|2,0,1]=4 57 B5R0.1 CC(=O)CCBr BB31-4479 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.1 COCC(N)=O BB31-3207 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 O=C(O)CCF BB32-2513 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.2 C=CCCCI BB31-6966 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.2 C=CCCCN BB31-4446 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.2 CCC(N)CC(=O)O BB31-5235 [1,1,0,0,0,0|1,0,0]=3 63 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.3 C=C(CCl)OCOC BB31-5584 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.5 CC(CCO)C(N)=O BB31-7816 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.5 NCCC(F)C(=O)O BB31-4428 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.6 CC(=O)NCC(C)O BB31-7690 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.6 CC(=O)NNC(C)C BB32-2318 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.6 CC(C)CC[N+](=O)[O-] BB32-3570 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.6 CC(N)CCC(=O)O BB31-2419 [1,1,0,0,0,0|1,0,0]=3 71 B7R0.6 CC(O)CCC(=O)[O-] BB31-5329 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.8 CS(=O)(=O)CCCCl BB32-2712 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.8 CS(=O)(=O)CCCN BB31-3020 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.1 CCCNCCOC BB31-6246 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.4 CCCCC(C)CC(=O)O BB32-2471 [0,2,0,0,0,0|2,0,0]=4 76 B9R0.4 CCCCC(O)CC(=O)O BB31-3463 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.4 CSCC[C@H](N)CC(=O)O BB31-6882 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.4 CSCC[C@H](N)CC(=O)O BB32-1606 [0,2,0,0,0,0|2,0,0]=4 79 B9R0.58 CCCC(C)(O)CC(=O)O BB31-4704 [0,2,0,0,0,0|2,0,0]=4 80 B9R0.1 C=C(C)CCCC(=O)OC BB32-1876 [0,2,0,0,0,0|1,0,1]=4 81 B9R0.24 CCC(=O)CCC(=O)CC BB31-4562 [0,2,0,0,0,0|1,0,1]=4 82 B9R0.47 CCCCCC(=O)N(C)C BB31-6255 [0,2,0,0,0,0|1,0,0]=3 83 B9R0.2 C#CCCCCCC(=O)O BB31-8482 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.2 C\C=C\C=C\COC(C)=O BB31-2942 [0,2,0,0,0,0|0,0,2]=4 85 B9R0.7 CC(C)CC[C@@H](N)C(=O)O BB31-2417 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.13 CCCC[C@H](NC)C(=O)O BB31-3398 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.43 COC(CNC(C)=O)OC BB32-3584 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.56 CC(=O)OCC[B-](F)(F)F BB31-9702 [0,2,0,0,0,0|2,0,0]=4 89 B7R1.2 C[C@@H]1CCC(=O)N1 BB31-7724 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.2 C[C@H]1CCC(=O)N1 BB31-2966 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.2 N[C@H]1CNC(=O)C1 BB31-3703 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.2 O=C1CC(O)CO1 BB31-5337 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.2 O=C1CCC(O)C1 BB31-4994 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.3 CC1=CCNCC1 BB31-4858 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.3 O=C1CNCCO1 BB32-2655 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.3 O=S1CCNCC1 BB32-3985 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 S=C1CCCCN1 BB31-1665 [1,0,0,1,0,0|1,1,0]=4 98 B7R1.10 COC1CC(=O)C1 BB31-4629 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.10 NCC1CC(=O)C1 BB31-2692 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.10 O=C1CC(CBr)C1 BB32-2845 [1,0,0,1,0,0|1,0,0]=3 101 B7R1.10 O=C1CC(CCl)C1 BB31-3444 [1,0,0,1,0,0|1,0,0]=3 102 B7R1.12 C[C@@H]1C[C@H]1C(=O)O BB32-3490 [1,0,0,1,0,0|1,0,0]=3 103 B7R1.12 C[C@H]1C[C@@H]1C(=O)O BB32-0696 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.12 O=C(O)[C@@H]1C[C@H]1F BB31-3334 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.18 CC(=O)N1CCC1 BB32-2755 [1,0,0,1,0,0|1,0,0]=3 106 B7R1.18 CC(N)C1CCC1 BB31-5264 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.18 N=C(N)C1CCC1 BB31-6957 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.18 NC(=O)C1CNC1 BB31-1092 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.18 NC(=S)C1CCC1 BB31-2990 [1,0,0,1,0,0|1,1,0]=4 110 B7R1.18 O=C(O)C1COC1 BB31-0382 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [1,0,0,1,0,0|1,0,1]=4 113 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.4 NC1CCNC1=O BB31-0754 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.4 NC1CCOC1=O BB52-6516 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.6 CCOC1CNC1 BB32-2240 [1,0,0,1,0,0|1,0,1]=4 118 B9R1.7 CCCC1=NNC(=O)C1 BB52-7288 [0,1,0,1,0,0|1,0,1]=4 119 B9R1.7 CCCC1COC(=O)O1 BB31-8496 [0,1,0,1,0,0|0,0,0]=2 120 B9R1.13 CC(=O)N[C@H]1CCNC1 BB31-0573 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.13 CC(=O)OC1CCCO1 BB31-3264 [0,1,0,1,0,0|0,0,0]=2 122 B9R1.13 O=C(O)CC1CCNC1 BB31-4791 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-4906 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.13 O=C(O)C[C@@H]1CCCN1 BB31-5437 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.13 O=C(O)C[C@@H]1CCOC1 BB31-2581 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O BB31-3041 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O BB32-3070 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O BB32-0417 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.48 O=C1CCCNC(=O)C1 BB31-4559 [0,1,0,1,0,0|1,0,1]=4 131 B9R1.53 CC(=O)OC1CC(=O)C1 BB31-5047 [0,1,0,1,0,0|0,0,1]=3 132 B9R1.66 CC1(C)CC(N)CCO1 BB31-5604 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.1 NCC1CCC(=O)NC1 BB32-1698 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.1 O=C1CCC(CBr)CC1 BB31-3860 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.1 O=C1CO[C@H](CO)CN1 BB31-8603 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.2 CCC1CCCC(=O)C1 BB31-8126 [0,1,0,1,0,0|1,0,0]=3 137 B9R1.2 NCC1CCNC(=O)C1 BB32-0239 [0,1,0,1,0,0|1,0,0]=3 138 B9R1.2 O=C1CC(CO)CCN1 BB32-2912 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.2 O=C1COCC(CO)N1 BB31-9072 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.11 O=C(CBr)N1CCCC1 BB53-1057 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.79 COC(=O)CC1COC1 BB31-2235 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.132 CN1C(=O)CCC1CO BB31-5269 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.6 NC(=O)C1CCNCC1 BB32-1882 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.6 NC(=O)N1CCNCC1 BB31-5203 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.6 O=C(O)[C@H]1CNCCO1 BB31-9515 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.85 O=C(O)COCC1CC1 BB32-1443 [0,1,0,1,0,0|1,0,0]=3 148 B9R1.35 CC(=O)N1CCC(=O)C1 BB32-2049 [0,1,0,1,0,0|1,0,1]=4 149 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 BB31-2463 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.35 NC1CCC(C(=O)O)C1 BB31-5764 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 BB31-5110 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 BB31-7079 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.35 O=C(O)C1CCC(O)C1 BB31-0171 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.69 CN1CCC(N)CC1=O BB31-2065 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.110 O=C(O)C(=O)C1CCC1 BB31-7654 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.163 O=C(O)C1(F)CCCC1 BB31-2962 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.114 CS(=O)(=O)OC1COC1 BB31-2844 [0,1,0,1,0,0|2,0,0]=4 158 B9R2.39 O=C1NC2CCC1C2 BB31-4286 [0,0,0,2,0,0|2,0,0]=4 159 B9R2.138 O=C1CC2(CNC2)C1 BB31-3565 [0,0,0,2,0,0|2,0,0]=4 160 B9R2.138 O=C1CC2(COC2)C1 BB32-0310 [0,0,0,2,0,0|2,0,0]=4 161 B9R2.143 O=C(O)C1CC12CC2 BB32-0327 [0,0,0,2,0,0|2,0,0]=4