0 B5R0.3 CC(C#N)CCl BB01-7479 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CC(CN)CO BB57-2245 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(C)NC BB53-1672 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CC\C(N)=N\O BB12-3467 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CNC(C)CO BB12-1570 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.3 COC(C)C#N BB57-3722 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 COC(C)CN BB55-4647 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(C)NN BB54-0473 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 CC(N)CO BB01-7506 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 CCC(=N)N BB54-4123 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 C[C@H](N)CO BB20-1224 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.2 CCCNN BB58-2805 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.2 CNCCCl BB57-4776 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 CNCCI BB57-4692 [1,0,0,0,0,0|2,0,1]=4 15 B4R0.2 CSCCCl BB53-1396 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.2 CSCCN BB12-0970 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 CC(CN)CCN BB12-1906 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.1 CCCC(O)CN BB58-4054 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.1 CCNC(C)CO BB12-1659 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.1 CCOC(C)CN BB57-2923 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.1 CC[C@H](N)COC BB20-3253 [0,1,0,0,0,0|1,0,2]=4 22 B6R0.1 CNC(C)CCO BB05-4613 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 CNC(C)CCO BB12-1373 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.1 CNCC(C)OC BB55-4648 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.1 COC(C)CCN BB57-3649 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 COCC(C)C#N BB55-7988 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 COCC(O)CN BB55-6376 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.3 CC(C)C(N)CO BB01-7497 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.3 CC(C)C(O)C#N BB57-3716 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.3 CC(C)C(O)CN BB58-1333 [0,1,0,0,0,0|1,0,1]=3 31 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.3 COC(C)C(=O)O BB57-2927 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.8 C#CC(C)(N)CC BB54-0427 [0,1,0,0,0,0|1,0,2]=4 38 B6R0.8 C#CC(C)(O)CC BB54-0603 [0,1,0,0,0,0|0,0,2]=3 39 B6R0.8 C=CC(C)(C)CO BB57-4301 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.8 CCC(C)(N)CC BB58-0626 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.8 CCC(C)(N)CO BB56-2220 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.8 CCC(C)(O)C#N BB58-5232 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.8 CCC(C)(O)CN BB58-5227 [0,1,0,0,0,0|1,0,1]=3 44 B6R0.9 CCC(C#N)NC BB12-1702 [0,1,0,0,0,0|2,0,1]=4 45 B6R1.2 NC1CCOC1 BB55-5168 [0,0,0,1,0,0|2,0,1]=4 46 B6R1.2 OC1CNOC1 BB12-1709 [0,0,0,1,0,0|2,0,1]=4 47 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,0,0,1,0,0|1,0,1]=3 48 B6R1.6 CNC1CCC1 BB58-0080 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.6 NCC1CCC1 BB12-1679 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.7 CC1(CN)CC1 BB58-3753 [0,0,0,1,0,0|2,0,1]=4 51 B6R1.7 CCC1(N)CC1 BB58-3768 [0,0,0,1,0,0|1,0,2]=4 52 B3R0.1 N\C=N/O BB12-3512 [2,0,0,0,0,0|2,0,0]=4 53 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|1,0,1]=4 54 B5R0.1 CC(N)CCO BB57-1076 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.1 CC(O)CNN BB58-3435 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.1 CNCC(C)O BB12-1288 [1,1,0,0,0,0|0,0,1]=3 57 B5R0.4 CC(C)(O)CBr BB58-5360 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.5 CC(C)C(=N)N BB20-1445 [1,1,0,0,0,0|2,0,0]=4 59 B5R0.5 CC(Cl)C(N)=O BB12-1307 [1,1,0,0,0,0|2,0,0]=4 60 B5R0.5 CC(O)C(=N)N BB58-0260 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.2 C=COCCN BB57-6790 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.2 CCSCCN BB53-1545 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.2 CCSCCO BB54-1799 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.2 CNCCSC BB57-4145 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.2 COCCNN BB58-0266 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.2 CSCCC#N BB12-3714 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.2 N#CCCCN BB58-1324 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.2 N#CCCCO BB58-5314 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.2 NNCCCO BB58-0747 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.2 OCCCCCl BB54-0721 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,1,0,0,0,0|0,0,2]=4 72 B5R0.2 [C-]#[N+]CCOC BB56-1837 [1,1,0,0,0,0|1,0,1]=4 73 B7R0.2 CC(C)CC(O)CN BB58-4053 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.2 CCC(C)NC(N)=O BB01-7615 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.2 CN(C)CC(O)CN BB57-3763 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.3 CCNCC(O)CC BB57-7065 [0,2,0,0,0,0|0,0,2]=4 77 B7R0.5 CCSC(C)C(=O)O BB12-3261 [0,2,0,0,0,0|2,0,0]=4 78 B7R0.5 CNCC(C)C(=O)O BB12-1637 [0,2,0,0,0,0|2,0,0]=4 79 B7R0.7 CNCC(O)COC BB17-0811 [0,2,0,0,0,0|0,0,2]=4 80 B7R0.10 CCC(C)C(=O)NN BB55-8843 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.10 CCC(N)C(=O)NO BB57-4144 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.10 COC(=O)C(O)CCl BB57-4961 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.11 C#CC(C)(O)CCC BB54-1632 [0,2,0,0,0,0|0,0,2]=4 84 B7R0.11 CCCC(C)(O)C#N BB58-5222 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.11 CCCC(C)(O)CN BB58-5219 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.12 CCOC(CC)CBr BB12-3730 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.13 CCC(C)(N)C(=O)O BB56-0974 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.14 CC(C)(C)C(O)C#N BB58-4056 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.14 CC(C)(C)C(O)CN BB58-4055 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.14 CC(C)(O)C(O)CN BB58-0361 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.15 CCC(CN)C(=O)O BB58-3841 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.15 CCC(CO)N(C)C BB12-3597 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.15 CCC(NC)C(=O)O BB57-2477 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.15 CCC(NC)C(N)=O BB57-1806 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.15 CCC(OC)C(=O)O BB57-2928 [0,2,0,0,0,0|1,0,0]=3 96 B7R0.15 COC(OC)C(N)=O BB58-3444 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.18 CCC(O)(C#N)CC BB58-5233 [0,2,0,0,0,0|0,0,2]=4 98 B7R0.18 CCC(O)(CC)CN BB58-5231 [0,2,0,0,0,0|0,0,2]=4 99 B5R1.3 FCC1CO1 BB57-4956 [1,0,0,1,0,0|1,0,1]=4 100 B5R1.5 CC1(N)CC1 BB58-0060 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.1 CCC1=NNC=C1 BB12-3522 [0,1,0,1,0,0|1,0,1]=4 102 B7R1.1 ClCC1=NOC=C1 BB54-1831 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.1 NCC1CCCO1 BB12-1343 [0,1,0,1,0,0|1,0,1]=4 104 B7R1.1 OCC1=COC=C1 BB12-2281 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.2 O=C1C=C(O)CC1 BB12-0743 [0,1,0,1,0,0|0,0,1]=3 106 B7R1.2 O=C1C=C(O)CO1 BB54-5190 [0,1,0,1,0,0|1,0,1]=4 107 B7R1.3 OC1CCOCC1 BB12-1171 [0,1,0,1,0,0|0,0,2]=4 108 B7R1.3 OC1CCSCC1 BB53-1540 [0,1,0,1,0,0|0,0,2]=4 109 B7R1.4 NC1CCCC1=O BB58-3328 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.4 NC1CCNC1=O BB12-2184 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.4 N[C@@H]1CSC[C@H]1O BB54-3348 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.22 OC(CBr)C1CC1 BB58-0634 [0,1,0,1,0,0|1,0,1]=4 113 B7R1.18 NC(=O)C1CCC1 BB12-3033 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.18 O=C(O)C1CCN1 BB57-4884 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.18 O=C(O)C1CCO1 BB31-4760 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.19 NC(=O)C1(N)CC1 BB58-3762 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.14 O=S1(=O)C=CCC1 BB54-3187 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.29 N#CC1(CO)CC1 BB57-0986 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.29 NCC1(CO)CC1 BB57-1078 [0,1,0,1,0,0|1,0,1]=4