0 B4R0.1 C#CC(=C)C BB54-0485 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 CC(C)NN BB54-0473 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 CC(N)CO BB01-7506 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CCC(=N)N BB54-4123 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.1 COC(=S)[S-] BB12-3031 [0,0,0,0,0,0|2,2,0]=4 5 B4R0.1 CSC(=N)N BB01-6974 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.1 C[C@H](N)CO BB20-1224 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 C\C(N)=N\O BB53-1937 [0,0,0,0,0,0|4,0,0]=4 8 B4R0.1 NC(=S)CO BB58-2954 [0,0,0,0,0,0|2,1,0]=3 9 B4R0.1 NC(N)=NO BB57-2413 [0,0,0,0,0,0|4,0,0]=4 10 B3R0.1 NNC=O BB12-2770 [1,0,0,0,0,0|1,0,0]=2 11 B3R0.1 N\C=N/O BB12-3512 [1,0,0,0,0,0|1,0,1]=3 12 B3R0.1 [C-]#[N+]CC BB56-1802 [1,0,0,0,0,0|3,0,0]=4 13 B3R0.2 CS(=O)[O-] BB12-1172 [1,0,0,0,0,0|1,0,1]=3 14 B3R0.2 N[13C](N)=O BB54-5648 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.1 C=C(C)CNN BB57-2407 [0,1,0,0,0,0|2,0,0]=3 16 B5R0.1 CC(=O)CC#N BB54-5411 [0,1,0,0,0,0|1,0,1]=3 17 B5R0.1 CC(O)CNN BB58-3435 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.1 CCOC(C)=N BB12-3674 [0,1,0,0,0,0|3,0,0]=4 19 B5R0.1 CNCC(C)=O BB12-3010 [0,1,0,0,0,0|1,0,0]=2 20 B5R0.1 CNCC(C)O BB12-1288 [0,1,0,0,0,0|1,0,1]=3 21 B5R0.1 COCC(N)=S BB58-4256 [0,1,0,0,0,0|2,1,0]=4 22 B5R0.1 CS(=O)CCN BB55-5915 [0,1,0,0,0,0|2,0,0]=3 23 B5R0.1 N#CCC(N)=S BB56-1845 [0,1,0,0,0,0|1,1,1]=4 24 B5R0.1 NC(=O)CCO BB58-1090 [0,1,0,0,0,0|2,0,0]=3 25 B5R0.3 CC(CN)CO BB57-2245 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.3 CC\C(N)=N\O BB12-3467 [0,1,0,0,0,0|2,0,0]=3 27 B5R0.3 CNC(=N)NN BB32-1370 [0,1,0,0,0,0|3,0,0]=4 28 B5R0.3 CNC(=O)CBr BB55-6801 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.3 CNC(=O)CO BB58-0349 [0,1,0,0,0,0|2,0,0]=3 30 B5R0.3 CNC(=S)NN BB12-2784 [0,1,0,0,0,0|2,1,0]=4 31 B5R0.3 COC(C)CN BB55-4647 [0,1,0,0,0,0|1,0,1]=3 32 B5R0.3 NNC(=O)CO BB12-3095 [0,1,0,0,0,0|1,0,0]=2 33 B5R0.3 NNC(=O)CS BB58-4379 [0,1,0,0,0,0|1,1,0]=3 34 B5R0.3 NNC(=S)NN BB12-2790 [0,1,0,0,0,0|2,1,0]=4 35 B5R0.3 N\C(CCl)=N/O BB57-3706 [0,1,0,0,0,0|2,0,0]=3 36 B5R0.3 N\C(CO)=N\O BB57-2423 [0,1,0,0,0,0|2,0,0]=3 37 B5R0.4 CC(C)(O)CBr BB58-5360 [0,1,0,0,0,0|2,0,1]=4 38 B5R0.4 NS(=O)(=O)CCl BB58-0348 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.5 CC(C)C(=N)N BB20-1445 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.5 CC(Cl)C(N)=O BB12-1307 [0,1,0,0,0,0|2,0,0]=3 41 B5R0.5 CC(O)C(=N)N BB58-0260 [0,1,0,0,0,0|1,0,2]=4 42 B5R1.2 O=C1CNC1 BB20-3400 [0,0,0,1,0,0|1,0,0]=2 43 B5R1.3 FCC1CO1 BB57-4956 [0,0,0,1,0,0|2,0,1]=4 44 B4R0.2 C#CCON BB31-7679 [1,1,0,0,0,0|1,0,1]=4 45 B4R0.2 CCCNN BB58-2805 [1,1,0,0,0,0|1,0,1]=4 46 B4R0.2 CNCCCl BB57-4776 [1,1,0,0,0,0|1,0,1]=4 47 B4R0.2 CNCCI BB57-4692 [1,1,0,0,0,0|1,0,1]=4 48 B4R0.2 CSCCN BB12-0970 [1,1,0,0,0,0|0,1,1]=4 49 B6R0.1 C#CC(=O)OCC BB53-1426 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.1 CCCC(O)CN BB58-4054 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.1 CCC\C(N)=N\O BB10-0037 [0,2,0,0,0,0|2,0,0]=4 52 B6R0.1 CCNC(=O)CBr BB57-1139 [0,2,0,0,0,0|2,0,0]=4 53 B6R0.1 CCOC(=N)CC BB57-3767 [0,2,0,0,0,0|2,0,0]=4 54 B6R0.1 CCOC(=N)CCl BB57-3987 [0,2,0,0,0,0|2,0,0]=4 55 B6R0.1 CCOC(C)CN BB57-2923 [0,2,0,0,0,0|1,0,1]=4 56 B6R0.1 CNC(=O)CC#N BB12-1423 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.1 CNC(=O)CCCl BB12-1619 [0,2,0,0,0,0|2,0,0]=4 58 B6R0.1 CNC(=O)CCN BB12-1715 [0,2,0,0,0,0|1,0,0]=3 59 B6R0.1 CNC(=O)CCO BB12-3660 [0,2,0,0,0,0|2,0,0]=4 60 B6R0.1 CNCC(=O)NC BB01-4880 [0,2,0,0,0,0|1,0,0]=3 61 B6R0.1 CNCC(=O)NN BB12-1497 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.1 CNCC(C)OC BB55-4648 [0,2,0,0,0,0|1,0,1]=4 63 B6R0.1 CNNC(=O)OC BB58-0264 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.1 COC(=O)CCN BB12-2761 [0,2,0,0,0,0|0,0,0]=2 65 B6R0.1 COC(=O)CCO BB12-1300 [0,2,0,0,0,0|1,0,0]=3 66 B6R0.1 COC(C)CCN BB57-3649 [0,2,0,0,0,0|1,0,1]=4 67 B6R0.1 COCC(=O)NN BB55-2156 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.1 COCC(O)CN BB55-6376 [0,2,0,0,0,0|0,0,2]=4 69 B6R0.1 COC\C(N)=N\O BB20-4328 [0,2,0,0,0,0|2,0,0]=4 70 B6R0.1 CSC\C(N)=N\O BB12-3469 [0,2,0,0,0,0|2,0,0]=4 71 B6R0.1 N#CC\C(N)=N/O BB58-1066 [0,2,0,0,0,0|1,0,1]=4 72 B6R0.1 N\C(CCO)=N/O BB12-3471 [0,2,0,0,0,0|2,0,0]=4 73 B6R0.2 CC(=O)NC(=N)N BB56-2578 [0,2,0,0,0,0|1,0,1]=4 74 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,2,0,0,0,0|1,0,1]=4 75 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,2,0,0,0,0|2,0,0]=4 76 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,2,0,0,0,0|0,0,0]=2 77 B6R0.2 CC(N)CC(C)O BB58-3424 [0,2,0,0,0,0|1,0,1]=4 78 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,2,0,0,0,0|0,0,0]=2 79 B6R0.2 NC(=O)C[N+](=O)[O-] BB54-0037 [0,2,0,0,0,0|1,0,1]=4 80 B6R0.2 O=C(O)CC(F)F BB31-2950 [0,2,0,0,0,0|1,0,0]=3 81 B6R0.3 CC(C)C(=O)NN BB12-1583 [0,2,0,0,0,0|2,0,0]=4 82 B6R0.3 CC(C)C(O)CN BB58-1333 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.3 CC(C)\C(N)=N\O BB53-1938 [0,2,0,0,0,0|2,0,0]=4 84 B6R0.3 CC(O)\C(N)=N\O BB57-3710 [0,2,0,0,0,0|2,0,0]=4 85 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,2,0,0,0,0|2,0,0]=4 86 B6R0.3 CN(C)C(=O)CBr BB57-2931 [0,2,0,0,0,0|2,0,0]=4 87 B6R0.3 CN(C)C(=O)CO BB12-3698 [0,2,0,0,0,0|2,0,0]=4 88 B6R0.3 CN(C)C(=O)NN BB12-2766 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.3 CNC(=O)C(C)Br BB12-1295 [0,2,0,0,0,0|2,0,0]=4 90 B6R0.3 CNC(=O)C(C)Cl BB55-4738 [0,2,0,0,0,0|2,0,0]=4 91 B6R0.3 CNC(=O)[C@@H](C)N BB32-0279 [0,2,0,0,0,0|1,0,0]=3 92 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,2,0,0,0,0|0,0,0]=2 93 B6R0.3 COC(=N)C(C)C BB12-3132 [0,2,0,0,0,0|2,0,0]=4 94 B6R0.3 COC(=O)N(C)N BB12-2783 [0,2,0,0,0,0|1,0,0]=3 95 B6R0.3 COC(C)C(=O)O BB57-2927 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.3 N#CC(N)C(N)=O BB54-0378 [0,2,0,0,0,0|1,0,0]=3 98 B6R0.3 NC(=O)\C(N)=N\O BB12-3387 [0,2,0,0,0,0|1,0,1]=4 99 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,2,0,0,0,0|0,0,0]=2 100 B6R0.3 NNC(=O)C(F)F BB58-4045 [0,2,0,0,0,0|2,0,0]=4 101 B6R0.3 NNC(=O)C(N)=O BB12-2523 [0,2,0,0,0,0|1,0,1]=4 102 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,2,0,0,0,0|1,0,0]=3 103 B6R0.4 CC(=O)NCC#N BB57-3731 [0,2,0,0,0,0|1,0,1]=4 104 B6R0.4 CCCNC(N)=O BB01-7603 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.4 CCNCC(C)O BB12-1676 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.4 CCOCC(=O)Cl BB01-8267 [0,2,0,0,0,0|2,0,0]=4 107 B6R0.4 CCSCC(=O)O BB12-3264 [0,2,0,0,0,0|1,0,0]=3 108 B6R0.4 CNCCC(=O)O BB12-1452 [0,2,0,0,0,0|0,0,0]=2 109 B6R0.4 COCCC(=O)Cl BB20-1617 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.4 COCCC(C)=O BB58-1056 [0,2,0,0,0,0|2,0,0]=4 111 B6R0.4 NC(=O)CCCCl BB57-2489 [0,2,0,0,0,0|2,0,0]=4 112 B6R0.4 NCCCC(N)=O BB57-4725 [0,2,0,0,0,0|1,0,0]=3 113 B6R0.4 NCCNC(N)=S BB58-1242 [0,2,0,0,0,0|1,1,0]=4 114 B6R0.5 CC(C)(O)CCN BB57-2241 [0,2,0,0,0,0|1,0,1]=4 115 B6R0.5 CC(C)(O)CNN BB58-0368 [0,2,0,0,0,0|1,0,1]=4 116 B6R0.5 CCNS(=O)(=O)O BB57-2465 [0,2,0,0,0,0|2,0,0]=4 117 B6R0.5 CNCC(C)(C)O BB58-0276 [0,2,0,0,0,0|1,0,1]=4 118 B6R0.5 CS(=O)(=O)CCN BB53-1620 [0,2,0,0,0,0|1,0,1]=4 119 B6R0.5 NCCS(N)(=O)=O BB54-3662 [0,2,0,0,0,0|1,0,1]=4 120 B6R0.8 CC(C)(CN)CO BB57-1061 [0,2,0,0,0,0|1,0,1]=4 121 B6R0.8 CCC(C)(O)CN BB58-5227 [0,2,0,0,0,0|1,0,1]=4 122 B6R0.8 COC(C)(C)CN BB55-4624 [0,2,0,0,0,0|1,0,1]=4 123 B6R0.7 CC(=O)C(C)(C)N BB54-1822 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.7 CC(C)(Br)C(N)=O BB55-8836 [0,2,0,0,0,0|2,0,0]=4 125 B6R0.7 CC(C)(N)C(N)=O BB57-1099 [0,2,0,0,0,0|1,0,0]=3 126 B6R1.2 OC1=CNN=C1 BB58-1357 [0,1,0,1,0,0|1,0,1]=4 127 B6R1.2 OC1CNOC1 BB12-1709 [0,1,0,1,0,0|0,0,2]=4 128 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,1,0,1,0,0|1,0,1]=4