0 B7R0.1 CCCNCCOC BB31-6246 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 CNCCCCCl BB31-7841 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.6 OCCNCCCl BB31-4678 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.6 OCCOCCI BB31-1660 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.4 CCCCOCCOC BB31-4759 [0,1,0,0,0,0|1,0,2]=4 5 B8R0.4 COCCOCCCBr BB31-5717 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.4 ClCCCCCCCBr BB31-5515 [0,1,0,0,0,0|1,0,2]=4 7 B8R0.6 CCCCOC(=O)CN BB31-9514 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.7 CC(C)CCCCCO BB31-3290 [0,1,0,0,0,0|0,0,2]=3 9 B8R0.7 CCCCCC[C@H](C)N BB31-5438 [0,1,0,0,0,0|1,0,2]=4 10 B8R0.7 CCCC\C=C\B(O)O BB32-1408 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.2 BrCC1CCCNC1 BB32-0264 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.2 CCC1CCCNC1 BB31-8098 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.2 ClCC1CCNCC1 BB31-3587 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.2 ICC1CCCCO1 BB32-2266 [0,0,0,1,0,0|1,0,2]=4 15 B8R1.2 ONC1CCCCC1 BB31-6264 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.5 N[C@H]1COCC[C@@H]1O BB31-1009 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.5 O[C@@H]1CCNC[C@@H]1F BB31-2789 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.5 O[C@H]1CNCC[C@H]1O BB32-2494 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.8 OCCC1=COC=C1 BB31-4913 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.8 OCCC1=NNC=C1 BB32-1887 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.8 OCCC1CCNC1 BB32-3680 [0,0,0,1,0,0|1,0,1]=3 22 B8R1.8 OCCN1C=CC=N1 BB52-9321 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.8 OCCN1C=CN=C1 BB52-9402 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.8 OCCN1C=CN=N1 BB31-8699 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.8 OCCN1CCCC1 BB53-1084 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.11 O=C1CCC=C1CO BB31-7246 [0,0,0,1,0,0|1,0,2]=4 27 B8R1.11 OC[C@H]1OCC[C@@H]1O BB31-7357 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.12 OC[C@H]1CC[C@H]1CO BB32-2861 [0,0,0,1,0,0|1,0,2]=4 29 B8R1.22 CC1CCCCCN1 BB32-1446 [0,0,0,1,0,0|1,0,2]=4 30 B8R1.22 OC1CCCNCC1 BB31-0709 [0,0,0,1,0,0|1,0,1]=3 31 B5R0.2 C=CCCCI BB31-6966 [2,0,0,0,0,0|1,0,0]=3 32 B5R0.2 C=CCCCN BB31-4446 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.2 CCSCCN BB31-5588 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.2 OCCCCI BB32-2029 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.4 NC(=O)CCCCO BB31-4574 [1,1,0,0,0,0|1,0,1]=4 36 B7R1.1 BrCC1=CCCC1 BB32-3867 [1,0,0,1,0,0|1,0,0]=3 37 B7R1.1 CC[C@@H]1CCCN1 BB32-2574 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.1 FC[C@@H]1CCNC1 BB31-2793 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.1 OCC1CCNC1 BB52-8382 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [1,0,0,1,0,0|1,0,0]=3 42 B7R1.3 CC1=CCNCC1 BB31-4858 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.3 CN1CC=CCC1 BB31-7198 [1,0,0,1,0,0|1,0,0]=3 44 B7R1.3 C[C@H]1CCCNC1 BB32-0441 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.3 C[C@H]1CNCCO1 BB31-0582 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.3 IC1CCNCC1 BB32-0018 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.3 OC1CC=CCC1 BB31-4823 [1,0,0,1,0,0|0,0,0]=2 48 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.6 OCCC1COC1 BB31-4347 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.6 OCCN1CCC1 BB31-7265 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.7 OCCNC1CC1 BB32-1964 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.9 OC[C@H]1C[C@H]1CO BB31-4235 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.2 CCC1CCCC(=O)C1 BB31-8126 [0,1,0,1,0,0|1,0,1]=4 54 B9R1.2 NCC1CCNC(=O)C1 BB32-0239 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.2 O=C1CC(CO)CCN1 BB32-2912 [0,1,0,1,0,0|1,0,0]=3 56 B9R1.2 O=C1CCC[C@@H](CO)N1 BB31-1849 [0,1,0,1,0,0|1,0,1]=4 57 B9R1.7 CN1CCC(CCO)C1 BB32-2050 [0,1,0,1,0,0|1,0,1]=4 58 B9R1.8 N#C\C=C1/CCCOC1 BB31-9807 [0,1,0,1,0,0|1,0,1]=4 59 B9R1.8 OCCN1CCSCC1 BB31-4899 [0,1,0,1,0,0|1,0,1]=4 60 B9R1.12 ClCCNC1=NCCC1 BB52-7672 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.12 OCCCC1=CSC=C1 BB31-5720 [0,1,0,1,0,0|0,0,2]=4 62 B9R1.12 OCCCN1C=CC=C1 BB31-5461 [0,1,0,1,0,0|0,0,2]=4 63 B9R1.12 OCCCN1C=CC=N1 BB53-1139 [0,1,0,1,0,0|1,0,1]=4 64 B9R1.12 OCCCN1C=CN=C1 BB52-9230 [0,1,0,1,0,0|1,0,1]=4 65 B9R1.12 OCCCN1CCCC1 BB52-8038 [0,1,0,1,0,0|0,0,2]=4 66 B9R1.12 OCCNC1=NCCC1 BB52-7671 [0,1,0,1,0,0|1,0,1]=4 67 B9R1.12 SCCNC1=NCCC1 BB52-7675 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.15 CN1CCOCC1CO BB31-9068 [0,1,0,1,0,0|1,0,1]=4 69 B9R1.15 CN[C@@H]1CCCC[C@H]1O BB31-4371 [0,1,0,1,0,0|0,0,2]=4 70 B9R1.15 COC1=CCCCC1=O BB32-1133 [0,1,0,1,0,0|1,0,1]=4 71 B9R1.33 CC1=NC=CN1CCO BB52-9766 [0,1,0,1,0,0|1,0,1]=4 72 B9R1.14 CCN1C=CN=C1CO BB52-0214 [0,1,0,1,0,0|1,0,1]=4 73 B9R1.89 COC1CCCNCC1 BB31-2531 [0,1,0,1,0,0|1,0,1]=4 74 B9R1.89 OCC1CNCCCO1 BB31-5590 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.1 C[C@@H]1CC[C@@H](CO)CN1 BB32-0772 [0,1,0,1,0,0|1,0,1]=4 76 B9R1.1 NCC1CCC(=O)NC1 BB32-1698 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 BB32-3486 [0,1,0,1,0,0|0,0,2]=4 78 B9R1.1 O=C1CCC(CBr)CC1 BB31-3860 [0,1,0,1,0,0|1,0,1]=4 79 B9R1.1 O=C1CO[C@H](CO)CN1 BB31-8603 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.11 NC(CO)C1CCCC1 BB32-0727 [0,1,0,1,0,0|0,0,2]=4 81 B9R1.21 OCC1CCN(CC)C1 BB52-8839 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.118 CC1(CO)CCOCC1 BB31-5857 [0,1,0,1,0,0|1,0,1]=4 83 B9R1.118 NC1(CO)CCCCC1 BB32-2688 [0,1,0,1,0,0|0,0,2]=4 84 B9R1.118 OCC1(F)CCNCC1 BB31-1156 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.118 OCC1(O)CCNCC1 BB32-1761 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.132 CN1C(=O)CCC1CO BB31-5269 [0,1,0,1,0,0|1,0,1]=4 87 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 BB31-5218 [0,0,0,2,0,0|1,0,1]=4 88 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 BB31-3697 [0,0,0,2,0,0|1,0,1]=4 89 B9R2.3 C1NCC2COCC12 BB31-5209 [0,0,0,2,0,0|1,0,1]=4 90 B9R2.3 C1NC[C@@H]2COC[C@H]12 BB31-4957 [0,0,0,2,0,0|1,0,1]=4