0 B7R0.1 CCCNCCOC BB31-6246 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.1 N#CCCCCCN BB31-4731 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 N#CCCNCCO BB31-8013 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 NCCSSCCN BB32-2869 [0,0,0,0,0,0|3,1,0]=4 4 B6R0.6 C#CCCCCN BB31-0286 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.6 CNCCCCCl BB31-7841 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.6 N#CCCCCN BB32-3572 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.6 NCCNCCN BB31-4178 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.6 OCCNCCCl BB31-4678 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.6 OCCOCCI BB31-1660 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.1 C#CCCC(=O)CCO BB31-2828 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.1 COCCN(C)CCO BB32-1044 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.4 CCCCOCCOC BB31-4759 [0,1,0,0,0,0|0,0,0]=1 13 B8R0.4 COCCOCCCBr BB31-5717 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.4 ClCCCCCCCBr BB31-5515 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.4 [N-]=[N+]=NCCOCCO BB31-2432 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.6 CCCCOC(=O)CN BB31-9514 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.7 CC(C)CCCCCO BB31-3290 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.7 CCCCCC[C@H](C)N BB31-5438 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.7 CCCC\C=C\B(O)O BB32-1408 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.7 COCCNCC(F)F BB05-4631 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.2 BrCC1CCCNC1 BB32-0264 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.2 CCC1CCCNC1 BB31-8098 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.2 CC[C@@H]1COCCN1 BB31-8706 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.2 CC[C@@H]1COCCN1 BB32-1053 [0,0,0,1,0,0|1,0,0]=2 25 B8R1.2 CO[C@H]1CCCNC1 BB31-5248 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.2 ClCC1CCNCC1 BB31-3587 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.2 ClCC1COCCO1 BB52-8716 [0,0,0,1,0,0|1,0,0]=2 28 B8R1.2 ICC1CCCCO1 BB32-2266 [0,0,0,1,0,0|1,0,0]=2 29 B8R1.2 NC[C@@H]1COCCO1 BB32-0561 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.2 O=CC1CCCCO1 BB32-0336 [0,0,0,1,0,0|0,0,2]=3 31 B8R1.2 ONC1CCCCC1 BB31-6264 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.5 CC1COCCC1=O BB31-0779 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.5 CN1CCOCC1=O BB31-4094 [0,0,0,1,0,0|1,0,2]=4 34 B8R1.5 C[C@@H]1CNCCN1C BB31-0645 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.5 C[C@@H]1CNCCN1C BB32-3303 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.5 C[C@H]1CNCCN1C BB32-2670 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.5 N[C@@H]1CCOC[C@H]1F BB31-3963 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.5 N[C@@H]1CCOC[C@H]1O BB31-3182 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.5 N[C@H]1COCC[C@@H]1O BB31-1009 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.5 O=C1CCOCC1Br BB31-5776 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.5 O=C1CCOCC1F BB32-3113 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.5 O[C@@H]1CCNC[C@@H]1F BB31-2789 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.5 O[C@H]1CNCC[C@H]1O BB32-2494 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.8 NCCC1OCCO1 BB31-5553 [0,0,0,1,0,0|1,0,0]=2 45 B8R1.8 OCCC1CCNC1 BB32-3680 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.8 OCCN1CCCC1 BB53-1084 [0,0,0,1,0,0|1,0,0]=2 47 B8R1.11 OC[C@H]1OCC[C@@H]1O BB31-7357 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.12 OC[C@H]1CC[C@H]1CO BB32-2861 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.22 CC1CCCCCN1 BB32-1446 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.22 N[C@@H]1CCCCNC1 BB31-1104 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.22 O=C1CCCCNC1 BB32-3316 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.22 O=C1CCCOCC1 BB32-3102 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.22 OC1CCCNCC1 BB31-0709 [0,0,0,1,0,0|2,0,0]=3 54 B5R0.2 CCSCCN BB31-5588 [2,0,0,0,0,0|1,1,0]=4 55 B5R0.2 OCCCCI BB32-2029 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.4 NC(=O)CCCCO BB31-4574 [1,1,0,0,0,0|1,0,1]=4 57 B7R0.4 O=C([O-])COCCO BB31-2744 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.4 OB(O)CCCCBr BB31-5383 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.4 CCCCC(C)CC(=O)O BB32-2471 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.4 CCCCC(O)CC(=O)O BB31-3463 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.18 CCCCC(N)CCCC BB31-5984 [0,2,0,0,0,0|2,0,0]=4 62 B9R0.45 BrCCOCCOCCBr BB32-1088 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.45 C=CCOCCOCCO BB31-2926 [0,2,0,0,0,0|0,0,1]=3 64 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.1 CO[C@@H]1CCNC1 BB31-1407 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.1 CO[C@H]1CCNC1 BB31-1406 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.1 FC[C@@H]1CCCN1 BB31-6796 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [1,0,0,1,0,0|1,0,0]=3 72 B7R1.1 OCC1CCNC1 BB52-8382 [1,0,0,1,0,0|1,0,0]=3 73 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [1,0,0,1,0,0|1,0,0]=3 74 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.3 IC1CCNCC1 BB32-0018 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.3 OC1CC=CCC1 BB31-4823 [1,0,0,1,0,0|0,0,2]=4 80 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [1,0,0,1,0,0|0,0,0]=2 81 B7R1.3 SC1CCCNC1 BB31-1279 [1,0,0,1,0,0|1,1,0]=4 82 B7R1.4 Br[C@@H]1CCC[C@H]1Br BB31-0304 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.4 N[C@@H]1COC[C@@H]1O BB32-0460 [1,0,0,1,0,0|1,0,0]=3 84 B7R1.4 N[C@@H]1COC[C@H]1O BB31-5283 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.4 N[C@@H]1COC[C@H]1O BB32-1570 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.4 N[C@H]1CCC[C@H]1N BB31-4642 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.4 N[C@H]1COC[C@@H]1N BB32-2872 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.4 N[C@H]1COC[C@@H]1O BB31-3986 [1,0,0,1,0,0|1,0,0]=3 89 B7R1.4 N[C@H]1COC[C@@H]1O BB32-1041 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.4 O[C@H]1CNC[C@@H]1F BB31-3989 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.6 CCNC1COC1 BB32-0308 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.6 CCOC1CNC1 BB32-2240 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.6 OCCC1COC1 BB31-4347 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.6 OCCN1CCC1 BB31-7265 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.7 OCCNC1CC1 BB32-1964 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.9 OC[C@H]1C[C@H]1CO BB31-4235 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.2 CCC1CCCC(=O)C1 BB31-8126 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.2 CN1CCOC(CN)C1 BB54-5391 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.7 CN1CCC(CCO)C1 BB32-2050 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.8 BrCCC1CCOCC1 BB31-5058 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.8 BrCCN1CCCCC1 BB31-5212 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.8 CCOC1CCCNC1 BB31-0717 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.8 CNCC1CNCCO1 BB31-0917 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.8 COCC1CNCCO1 BB31-2777 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.8 COC[C@H]1CNCCO1 BB31-3018 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.8 COC[C@H]1COCCN1 BB31-8136 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.8 NCCC1CCCCC1 BB31-6120 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.8 NCCC1CCOCC1 BB31-5827 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.8 OCCN1CCSCC1 BB31-4899 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.12 CNCCC1OCCO1 BB31-7625 [0,1,0,1,0,0|0,0,0]=2 112 B9R1.12 CNCCN1CCCC1 BB52-8034 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.12 NCCOC1CCCC1 BB31-5585 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.12 OCCCN1CCCC1 BB52-8038 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.12 OCCNC1=NCCC1 BB52-7671 [0,1,0,1,0,0|1,0,1]=4 116 B9R1.15 CN1CCOCC1CO BB31-9068 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB31-4371 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.15 COC1CCCCC1N BB32-2888 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.15 CO[C@@H]1COCC[C@H]1N BB31-0933 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.15 CO[C@H]1CCNC[C@@H]1O BB31-3834 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.15 N#CC1OCCCC1Br BB31-9372 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.22 CN1C[C@H](O)C[C@H]1CO BB31-7924 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.58 OCCN1CC(CF)C1 BB31-2794 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.134 CC1(CCBr)OCCO1 BB31-5555 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.134 CC1(CCO)OCCO1 BB31-5697 [0,1,0,1,0,0|1,0,0]=3 126 B9R1.89 COC1CCCNCC1 BB31-2531 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.89 OCC1CNCCCO1 BB31-5590 [0,1,0,1,0,0|0,0,0]=2 128 B9R1.1 C[C@@H]1CC[C@@H](CO)CN1 BB32-0772 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 BB31-0982 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.1 NC[C@H]1CC[C@H](O)CC1 BB31-0289 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 BB32-3486 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.1 O=C1CO[C@H](CO)CN1 BB31-8603 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.11 CC(CO)N1CCCC1 BB52-8690 [0,1,0,1,0,0|1,0,0]=3 134 B9R1.11 NC(CO)C1CCCC1 BB32-0727 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.21 OCC1CCN(CC)C1 BB52-8839 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.21 OC[C@@H]1CC[C@H](CO)O1 BB31-8184 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.118 CC1(CO)CCOCC1 BB31-5857 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.118 NC1(CO)CCCCC1 BB32-2688 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.118 OCC1(F)CCNCC1 BB31-1156 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.118 OCC1(O)CCNCC1 BB32-1761 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.6 CC(C)[C@H]1CNCCO1 BB31-1845 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.6 O=C(O)[C@H]1CNCCO1 BB31-9515 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.40 CC1(C)COCCC1N BB31-2478 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.41 CC1CCCC1C(=O)O BB32-2372 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.85 O=C(O)COCC1CC1 BB32-1443 [0,1,0,1,0,0|0,0,1]=3 146 B9R2.49 C1CC2CCC1CN2 BB32-3450 [0,0,0,2,0,0|2,0,0]=4 147 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 BB31-5218 [0,0,0,2,0,0|2,0,0]=4 148 B9R2.68 C1CC2CCC(C1)N2 BB31-4852 [0,0,0,2,0,0|2,0,0]=4 149 B9R2.68 C1CN2CCC(C2)N1 BB32-2899 [0,0,0,2,0,0|2,0,0]=4 150 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 BB31-3570 [0,0,0,2,0,0|1,0,0]=3 151 B9R2.174 C1CNC2(CC2)CN1 BB31-2830 [0,0,0,2,0,0|2,0,0]=4 152 B9R2.174 C1COC2(CC2)CN1 BB31-5175 [0,0,0,2,0,0|1,0,0]=3 153 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 BB31-3697 [0,0,0,2,0,0|2,0,0]=4 154 B9R2.3 C1NCC2COCC12 BB31-5209 [0,0,0,2,0,0|2,0,0]=4 155 B9R2.3 C1NC[C@@H]2COC[C@H]12 BB31-4957 [0,0,0,2,0,0|2,0,0]=4 156 B9R2.173 C1COC2(C1)CNC2 BB32-0102 [0,0,0,2,0,0|2,0,0]=4