0 B4R0.1 C#CC(=C)C BB54-0485 [0,0,0,0,0,0|2,0,1]=3 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|1,0,3]=4 3 B4R0.1 CCC(=N)N BB54-4123 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 COC(=S)[S-] BB12-3031 [0,0,0,0,0,0|3,1,0]=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|1,0,3]=4 7 B4R0.1 C\C(N)=N\O BB53-1937 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 NC(=S)CO BB58-2954 [0,0,0,0,0,0|1,1,2]=4 9 B4R0.1 NC(N)=NO BB57-2413 [0,0,0,0,0,0|3,0,1]=4 10 B3R0.1 CNOC BB01-7679 [1,0,0,0,0,0|3,0,0]=4 11 B3R0.1 NNC=O BB12-2770 [1,0,0,0,0,0|2,0,0]=3 12 B3R0.1 N\C=N/O BB12-3512 [1,0,0,0,0,0|2,0,1]=4 13 B3R0.1 [C-]#[N+]CC BB56-1802 [1,0,0,0,0,0|2,0,1]=4 14 B3R0.2 CS(=O)[O-] BB12-1172 [1,0,0,0,0,0|1,0,1]=3 15 B3R0.2 N[13C](N)=O BB54-5648 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 C=C(C)CNN BB57-2407 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.1 CC(=O)CC#N BB54-5411 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.1 CCOC(C)=N BB12-3674 [0,1,0,0,0,0|2,0,1]=4 19 B5R0.1 CNCC(C)=O BB12-3010 [0,1,0,0,0,0|1,0,1]=3 20 B5R0.1 CS(=O)CCN BB55-5915 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.1 NC(=O)CCO BB58-1090 [0,1,0,0,0,0|1,0,2]=4 22 B5R0.3 CC\C(N)=N\O BB12-3467 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.3 CNC(=N)NN BB32-1370 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.3 CNC(=O)CBr BB55-6801 [0,1,0,0,0,0|1,0,1]=3 25 B5R0.3 CNC(=O)CO BB58-0349 [0,1,0,0,0,0|0,0,2]=3 26 B5R0.3 CNC(=S)NN BB12-2784 [0,1,0,0,0,0|2,1,0]=4 27 B5R0.3 NNC(=O)CO BB12-3095 [0,1,0,0,0,0|2,0,0]=3 28 B5R0.3 NNC(=O)CS BB58-4379 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.3 N\C(CCl)=N/O BB57-3706 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.3 N\C(CO)=N\O BB57-2423 [0,1,0,0,0,0|2,0,1]=4 31 B5R0.5 CC(C)C(=N)N BB20-1445 [0,1,0,0,0,0|2,0,1]=4 32 B5R0.5 CC(Cl)C(N)=O BB12-1307 [0,1,0,0,0,0|1,0,1]=3 33 B5R0.5 CC(O)C(=N)N BB58-0260 [0,1,0,0,0,0|1,0,2]=4 34 B5R0.5 CN(C)C(=N)N BB58-1392 [0,1,0,0,0,0|3,0,0]=4 35 B5R1.2 O=C1CNC1 BB20-3400 [0,0,0,1,0,0|1,0,1]=3 36 B6R0.1 C#CC(=O)OCC BB53-1426 [0,2,0,0,0,0|1,0,1]=4 37 B6R0.1 CCNC(=O)CBr BB57-1139 [0,2,0,0,0,0|1,0,1]=4 38 B6R0.1 CNC(=O)CC#N BB12-1423 [0,2,0,0,0,0|1,0,1]=4 39 B6R0.1 CNC(=O)CCCl BB12-1619 [0,2,0,0,0,0|1,0,1]=4 40 B6R0.1 CNC(=O)CCN BB12-1715 [0,2,0,0,0,0|1,0,1]=4 41 B6R0.1 CNC(=O)CCO BB12-3660 [0,2,0,0,0,0|0,0,2]=4 42 B6R0.1 CNCC(=O)NC BB01-4880 [0,2,0,0,0,0|1,0,1]=4 43 B6R0.1 CNCC(=O)NN BB12-1497 [0,2,0,0,0,0|2,0,0]=4 44 B6R0.1 CNNC(=O)OC BB58-0264 [0,2,0,0,0,0|2,0,0]=4 45 B6R0.1 COC(=O)CCN BB12-2761 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.1 COC(=O)CCO BB12-1300 [0,2,0,0,0,0|0,0,2]=4 47 B6R0.1 COCC(=O)NN BB55-2156 [0,2,0,0,0,0|2,0,0]=4 48 B6R0.2 CC(=O)NC(=N)N BB56-2578 [0,2,0,0,0,0|1,0,0]=3 49 B6R0.2 CC(C)=CC(=O)O BB01-7468 [0,2,0,0,0,0|1,0,0]=3 50 B6R0.2 CC(C)NC(N)=O BB01-7616 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.2 CC(N)CC(=O)O BB12-2890 [0,2,0,0,0,0|1,0,1]=4 52 B6R0.2 NC(=O)CC(=O)O BB55-4726 [0,2,0,0,0,0|1,0,0]=3 53 B6R0.2 NC(=O)C[N+](=O)[O-] BB54-0037 [0,2,0,0,0,0|1,0,1]=4 54 B6R0.3 CC(C)C(=O)NN BB12-1583 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.3 CCC(Br)C(N)=O BB55-8830 [0,2,0,0,0,0|1,0,1]=4 56 B6R0.3 CN(C)C(=O)CBr BB57-2931 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.3 CN(C)C(=O)CO BB12-3698 [0,2,0,0,0,0|0,0,2]=4 58 B6R0.3 CN(C)C(=O)NN BB12-2766 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.3 CNC(=O)C(C)Br BB12-1295 [0,2,0,0,0,0|1,0,1]=4 60 B6R0.3 CNC(=O)C(C)Cl BB55-4738 [0,2,0,0,0,0|1,0,1]=4 61 B6R0.3 CNC(=O)[C@@H](C)N BB32-0279 [0,2,0,0,0,0|1,0,1]=4 62 B6R0.3 CNC(C)C(=O)O BB57-2982 [0,2,0,0,0,0|1,0,1]=4 63 B6R0.3 COC(=O)N(C)N BB12-2783 [0,2,0,0,0,0|2,0,0]=4 64 B6R0.3 COC(C)C(=O)O BB57-2927 [0,2,0,0,0,0|0,0,2]=4 65 B6R0.3 CSC(C)C(=O)O BB12-2671 [0,2,0,0,0,0|0,1,1]=4 66 B6R0.3 NC(=O)\C(N)=N\O BB12-3387 [0,2,0,0,0,0|1,0,1]=4 67 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,2,0,0,0,0|1,0,1]=4 68 B6R0.3 NNC(=O)C(F)F BB58-4045 [0,2,0,0,0,0|2,0,0]=4 69 B6R0.3 NNC(=O)C(N)=O BB12-2523 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,2,0,0,0,0|0,0,2]=4 71 B6R0.4 CC(=O)NCC#N BB57-3731 [0,2,0,0,0,0|1,0,1]=4 72 B6R0.4 COCCC(C)=O BB58-1056 [0,2,0,0,0,0|0,0,2]=4 73 B6R0.4 NC(=S)NNC=O BB58-1807 [0,2,0,0,0,0|1,1,0]=4 74 B6R0.5 C(=O)NC(C)(C)C BB20-3385 [0,2,0,0,0,0|1,0,1]=4 75 B6R0.7 CC(=O)C(C)(C)N BB54-1822 [0,2,0,0,0,0|1,0,1]=4 76 B6R0.7 CC(C)(Br)C(N)=O BB55-8836 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.7 CC(C)(N)C(N)=O BB57-1099 [0,2,0,0,0,0|1,0,1]=4 78 B6R1.2 CC1=CC=NN1 BB56-1939 [0,1,0,1,0,0|2,0,0]=4 79 B6R1.2 CC1=NC=CS1 BB20-4630 [0,1,0,1,0,0|1,1,0]=4 80 B6R1.2 CC1=NNC=N1 BB12-3430 [0,1,0,1,0,0|2,0,0]=4 81 B6R1.2 CC1=NSN=C1 BB12-1747 [0,1,0,1,0,0|1,1,0]=4 82 B6R1.2 O=C1NC=CN1 BB57-4795 [0,1,0,1,0,0|2,0,0]=4 83 B6R1.2 O=C1NC=NN1 BB54-5765 [0,1,0,1,0,0|2,0,0]=4