0 B5R0.3 C=C[C@H](N)CO BB32-0951 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 CC(CO)CBr BB31-7772 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 CCC(=O)CN BB31-8248 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.3 CO[C@@H](C)CO BB31-0453 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 NCC(Br)CBr BB31-7157 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 NCC(O)CCl BB31-4889 [0,0,0,0,0,0|2,1,0]=3 6 B5R0.3 O=C[C@H](O)CO BB31-6122 [0,0,0,0,0,0|0,2,1]=3 7 B4R0.1 C#C[C@H](C)N BB31-2680 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 CC(N)C#N BB31-5240 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 OCC(Cl)Cl BB31-5600 [1,0,0,0,0,0|2,0,0]=3 10 B4R0.2 C=CCCI BB31-6880 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.2 NCCON BB32-1546 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CCC(O)CC#N BB31-2014 [0,1,0,0,0,0|2,1,0]=4 13 B6R0.1 C[C@@H](CO)CCN BB31-5417 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.1 OCC[C@H](O)CCl BB31-2429 [0,1,0,0,0,0|1,1,0]=3 15 B6R0.3 CC[C@@H](C)C(=O)O BB31-4656 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.3 CC[C@@H](O)C(=O)O BB31-3920 [0,1,0,0,0,0|1,1,1]=4 17 B6R0.3 NC[C@@H](N)C(=O)O BB31-4003 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.8 CC(C)(CBr)CBr BB32-2264 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.9 CCC(C#N)CC BB32-3543 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.9 CCC(CC)NC BB31-6271 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.9 CCC(CC)NN BB31-5111 [0,1,0,0,0,0|3,0,0]=4 22 B6R1.2 BrC1CCSC1 BB52-7755 [0,0,0,1,0,0|2,0,0]=3 23 B6R1.2 C[C@@H]1CCNC1 BB31-4239 [0,0,0,1,0,0|3,0,0]=4 24 B6R1.2 C[C@H]1CCNC1 BB31-5082 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.2 Cl[C@H]1CCNC1 BB31-9471 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.2 NC1CCSC1 BB52-7752 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.2 OC1CCSC1 BB52-7751 [0,0,0,1,0,0|1,1,0]=3 28 B6R1.2 O[C@@H]1CNOC1 BB31-5422 [0,0,0,1,0,0|1,1,0]=3 29 B6R1.6 BrCC1COC1 BB31-2069 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.6 N#CC1COC1 BB31-5311 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.6 O=CC1COC1 BB31-1651 [0,0,0,1,0,0|1,1,1]=4 32 B6R1.6 OC[C@@H]1CCN1 BB31-7982 [0,0,0,1,0,0|2,0,0]=3 33 B6R1.6 OC[C@H]1CCN1 BB31-4144 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.7 CC1(CN)CC1 BB31-1478 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.7 CCC1(N)CC1 BB31-3439 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.7 NC1(CF)CC1 BB31-5308 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.7 OCC1(Br)CC1 BB32-2844 [0,0,0,1,0,0|2,0,0]=3 38 B6R1.7 OCC1(F)CC1 BB32-0673 [0,0,0,1,0,0|2,0,0]=3 39 B5R0.1 CC(O)CCBr BB32-3029 [1,1,0,0,0,0|1,1,0]=4 40 B5R0.1 COCC(C)Br BB31-8127 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.1 C[C@H](N)CC#N BB31-5263 [1,1,0,0,0,0|2,0,0]=4 42 B5R0.4 CC(C)(F)CN BB31-5316 [1,1,0,0,0,0|2,0,0]=4 43 B5R0.2 C#CCCCBr BB31-4992 [1,1,0,0,0,0|2,0,0]=4 44 B5R0.2 C=CCCCI BB31-6966 [1,1,0,0,0,0|2,0,0]=4 45 B5R0.2 C=CCCCN BB31-4446 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.2 CCSCCN BB31-5588 [1,1,0,0,0,0|2,0,0]=4 47 B5R0.2 N#CCCCN BB32-0548 [1,1,0,0,0,0|2,0,0]=4 48 B5R0.2 OCCCCI BB32-2029 [1,1,0,0,0,0|1,0,0]=3 49 B7R0.2 CCC(N)CC(=O)O BB31-5235 [0,2,0,0,0,0|2,0,0]=4 50 B7R0.2 CC[C@H](N)CC(=O)O BB31-2771 [0,2,0,0,0,0|2,0,0]=4 51 B7R0.5 CC(C)C(C)CCO BB31-7531 [0,2,0,0,0,0|2,0,0]=4 52 B7R0.5 CC(C)C(N)CCO BB31-5763 [0,2,0,0,0,0|2,0,0]=4 53 B7R0.10 O[C@H](CCl)[C@@H](O)CCl BB31-6193 [0,2,0,0,0,0|1,1,0]=4 54 B7R0.11 CC(C)(CO)CCO BB31-8012 [0,2,0,0,0,0|1,1,0]=4 55 B7R0.14 CC(C)(O)[C@H](F)CN BB32-0764 [0,2,0,0,0,0|2,0,0]=4 56 B7R0.14 CC(CO)C(F)(F)F BB31-4963 [0,2,0,0,0,0|2,0,0]=4 57 B7R0.15 NC[C@H](CO)C(=O)O BB31-2226 [0,2,0,0,0,0|1,1,0]=4 58 B5R1.2 BrC1CNC1 BB31-5774 [1,0,0,1,0,0|2,0,0]=4 59 B5R1.2 CC1CCN1 BB31-0642 [1,0,0,1,0,0|2,0,0]=4 60 B5R1.2 ClC1CNC1 BB31-7993 [1,0,0,1,0,0|2,0,0]=4 61 B5R1.2 NC1CSC1 BB31-1853 [1,0,0,1,0,0|1,0,0]=3 62 B5R1.2 SC1CNC1 BB31-3722 [1,0,0,1,0,0|1,0,0]=3 63 B5R1.4 N[C@@H]1C[C@@H]1F BB31-2658 [1,0,0,1,0,0|2,0,0]=4 64 B5R1.4 N[C@@H]1C[C@H]1N BB32-1814 [1,0,0,1,0,0|2,0,0]=4 65 B5R1.4 N[C@H]1C[C@H]1N BB32-3586 [1,0,0,1,0,0|2,0,0]=4 66 B5R1.1 C1CNNC1 BB31-6290 [1,0,0,1,0,0|2,0,0]=4 67 B5R1.1 C1CNOC1 BB31-7828 [1,0,0,1,0,0|1,0,0]=3 68 B7R1.1 CN[C@@H]1CCOC1 BB31-1876 [0,1,0,1,0,0|2,0,0]=4 69 B7R1.1 CN[C@H]1CCOC1 BB31-1877 [0,1,0,1,0,0|2,0,0]=4 70 B7R1.1 NC[C@@H]1CCOC1 BB31-8725 [0,1,0,1,0,0|2,0,0]=4 71 B7R1.1 OCC1CCNC1 BB52-8382 [0,1,0,1,0,0|2,0,0]=4 72 B7R1.1 OC[C@@H]1CCOC1 BB31-1047 [0,1,0,1,0,0|1,1,0]=4 73 B7R1.2 NC1CCC(O)C1 BB31-2061 [0,1,0,1,0,0|2,0,0]=4 74 B7R1.2 N[C@@H]1CC[C@@H](O)C1 BB31-1056 [0,1,0,1,0,0|2,0,0]=4 75 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-4650 [0,1,0,1,0,0|2,0,0]=4 76 B7R1.2 N[C@H]1CC[C@H](O)C1 BB31-5100 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.2 O=C1CC(O)CO1 BB31-5337 [0,1,0,1,0,0|0,2,0]=4 78 B7R1.3 N[C@@H]1CCCOC1 BB31-1896 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.3 N[C@H]1CCCOC1 BB31-1067 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.3 O[C@@H]1CCCOC1 BB31-0149 [0,1,0,1,0,0|1,1,0]=4 81 B7R1.3 SC1CCCNC1 BB31-1279 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.4 N[C@@H]1COC[C@@H]1O BB32-0460 [0,1,0,1,0,0|1,1,0]=4 83 B7R1.4 N[C@@H]1COC[C@H]1O BB31-5283 [0,1,0,1,0,0|1,1,0]=4 84 B7R1.4 N[C@@H]1COC[C@H]1O BB32-1570 [0,1,0,1,0,0|1,1,0]=4 85 B7R1.4 N[C@H]1COC[C@@H]1N BB32-2872 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.4 N[C@H]1COC[C@@H]1O BB31-3986 [0,1,0,1,0,0|1,1,0]=4 87 B7R1.4 N[C@H]1COC[C@@H]1O BB32-1041 [0,1,0,1,0,0|1,1,0]=4 88 B7R1.4 O[C@H]1CNC[C@@H]1F BB31-3989 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.6 CCNC1COC1 BB32-0308 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.6 CNCC1COC1 BB31-2533 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.6 COCC1CNC1 BB31-0895 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.6 OCCC1COC1 BB31-4347 [0,1,0,1,0,0|1,1,0]=4 93 B7R1.9 OC[C@H]1C[C@H]1CO BB31-4235 [0,1,0,1,0,0|1,1,0]=4 94 B7R1.10 CN1CC(CO)C1 BB31-2891 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.10 NCC1CC(O)C1 BB58-2198 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.10 NC[C@H]1C[C@@H](O)C1 BB31-2482 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.10 N[C@H]1C[C@@H](CO)C1 BB31-9750 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.25 CC1(CO)CCO1 BB31-4926 [0,1,0,1,0,0|1,1,0]=4 99 B7R1.25 CC1(CO)CNC1 BB31-2564 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.25 CCC1(N)COC1 BB31-2107 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.25 NC1(CO)CCC1 BB31-3490 [0,1,0,1,0,0|2,0,0]=4 102 B7R1.25 NC1(CO)COC1 BB31-1654 [0,1,0,1,0,0|1,1,0]=4 103 B7R1.25 NCC1(O)COC1 BB31-1653 [0,1,0,1,0,0|1,1,0]=4 104 B7R1.18 CC(O)C1CNC1 BB31-4088 [0,1,0,1,0,0|2,0,0]=4