0 B3R0.1 CNOC BB01-7679 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.1 NNC=O BB12-2770 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.1 N\C=N/O BB12-3512 [0,0,0,0,0,0|3,0,0]=3 3 B3R0.1 [C-]#[N+]CC BB56-1802 [0,0,0,0,0,0|2,0,0]=2 4 B2R0.1 F[Xe]F BB54-5276 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 C#CC(=C)C BB54-0485 [0,1,0,0,0,0|1,0,2]=4 6 B4R0.1 CC(C)NN BB54-0473 [0,1,0,0,0,0|2,0,0]=3 7 B4R0.1 CC(N)CO BB01-7506 [0,1,0,0,0,0|0,0,2]=3 8 B4R0.1 CCC(=N)N BB54-4123 [0,1,0,0,0,0|1,0,0]=2 9 B4R0.1 COC(=S)[S-] BB12-3031 [0,1,0,0,0,0|1,1,0]=3 10 B4R0.1 CSC(=N)N BB01-6974 [0,1,0,0,0,0|2,0,0]=3 11 B4R0.1 C[C@H](N)CO BB20-1224 [0,1,0,0,0,0|0,0,2]=3 12 B4R0.1 C\C(N)=N\O BB53-1937 [0,1,0,0,0,0|1,0,2]=4 13 B4R0.1 NC(=S)CO BB58-2954 [0,1,0,0,0,0|1,1,0]=3 14 B4R0.1 NC(N)=NO BB57-2413 [0,1,0,0,0,0|3,0,0]=4 15 B4R0.2 C#CCON BB31-7679 [0,1,0,0,0,0|2,0,1]=4 16 B4R0.2 CCCNN BB58-2805 [0,1,0,0,0,0|1,0,1]=3 17 B4R0.2 CNCCCl BB57-4776 [0,1,0,0,0,0|1,0,1]=3 18 B4R0.2 CNCCI BB57-4692 [0,1,0,0,0,0|1,0,1]=3 19 B4R0.2 CSCCCl BB53-1396 [0,1,0,0,0,0|1,0,1]=3 20 B4R0.2 CSCCN BB12-0970 [0,1,0,0,0,0|1,0,1]=3 21 B1R0.1 [13CH3]I BB54-5275 [2,0,0,0,0,0|1,0,0]=3 22 B3R0.2 CS(=O)[O-] BB12-1172 [1,1,0,0,0,0|1,0,0]=3 23 B3R0.2 N[13C](N)=O BB54-5648 [1,1,0,0,0,0|1,0,0]=3 24 B5R0.1 C=C(C)CNN BB57-2407 [0,2,0,0,0,0|2,0,0]=4 25 B5R0.1 CC(=O)CC#N BB54-5411 [0,2,0,0,0,0|0,0,1]=3 26 B5R0.1 CC(N)CCO BB57-1076 [0,2,0,0,0,0|0,0,2]=4 27 B5R0.1 CC(O)CNN BB58-3435 [0,2,0,0,0,0|1,0,1]=4 28 B5R0.1 CCOC(C)=N BB12-3674 [0,2,0,0,0,0|1,0,0]=3 29 B5R0.1 CNCC(C)=O BB12-3010 [0,2,0,0,0,0|0,0,0]=2 30 B5R0.1 CNCC(C)O BB12-1288 [0,2,0,0,0,0|0,0,2]=4 31 B5R0.1 COCC(N)=S BB58-4256 [0,2,0,0,0,0|0,1,0]=3 32 B5R0.1 CS(=O)CCN BB55-5915 [0,2,0,0,0,0|1,0,0]=3 33 B5R0.1 N#CCC(N)=S BB56-1845 [0,2,0,0,0,0|0,1,1]=4 34 B5R0.1 NC(=O)CCO BB58-1090 [0,2,0,0,0,0|0,0,0]=2 35 B5R0.3 CC(C#N)CCl BB01-7479 [0,2,0,0,0,0|1,0,1]=4 36 B5R0.3 CC(CN)CO BB57-2245 [0,2,0,0,0,0|0,0,2]=4 37 B5R0.3 CCC(C)NC BB53-1672 [0,2,0,0,0,0|1,0,1]=4 38 B5R0.3 CC\C(N)=N\O BB12-3467 [0,2,0,0,0,0|0,0,1]=3 39 B5R0.3 CNC(=N)NN BB32-1370 [0,2,0,0,0,0|2,0,0]=4 40 B5R0.3 CNC(=O)CBr BB55-6801 [0,2,0,0,0,0|1,0,0]=3 41 B5R0.3 CNC(=O)CO BB58-0349 [0,2,0,0,0,0|1,0,0]=3 42 B5R0.3 CNC(=S)NN BB12-2784 [0,2,0,0,0,0|1,1,0]=4 43 B5R0.3 CNC(C)CO BB12-1570 [0,2,0,0,0,0|0,0,2]=4 44 B5R0.3 COC(C)C#N BB57-3722 [0,2,0,0,0,0|1,0,1]=4 45 B5R0.3 COC(C)CN BB55-4647 [0,2,0,0,0,0|1,0,1]=4 46 B5R0.3 NNC(=O)CO BB12-3095 [0,2,0,0,0,0|1,0,0]=3 47 B5R0.3 NNC(=O)CS BB58-4379 [0,2,0,0,0,0|1,0,0]=3 48 B5R0.3 N\C(CCl)=N/O BB57-3706 [0,2,0,0,0,0|1,0,1]=4 49 B5R0.3 N\C(CO)=N\O BB57-2423 [0,2,0,0,0,0|1,0,1]=4 50 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [0,2,0,0,0,0|1,0,1]=4 51 B5R0.4 C#CC(C)(C)N BB54-0057 [0,2,0,0,0,0|1,0,1]=4 52 B5R0.4 CC(C)(C)NN BB01-7814 [0,2,0,0,0,0|2,0,0]=4 53 B5R0.4 CC(C)(N)C#N BB55-6333 [0,2,0,0,0,0|1,0,1]=4 54 B5R0.4 CC(C)(N)CO BB17-0635 [0,2,0,0,0,0|0,0,2]=4 55 B5R0.4 CC(C)(O)CBr BB58-5360 [0,2,0,0,0,0|1,0,1]=4 56 B5R0.4 NS(=O)(=O)CCl BB58-0348 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.5 CC(C)C(=N)N BB20-1445 [0,2,0,0,0,0|1,0,0]=3 58 B5R0.5 CC(Cl)C(N)=O BB12-1307 [0,2,0,0,0,0|0,0,0]=2 59 B5R0.5 CC(O)C(=N)N BB58-0260 [0,2,0,0,0,0|1,0,0]=3 60 B5R0.5 CN(C)C(=N)N BB58-1392 [0,2,0,0,0,0|2,0,0]=4 61 B5R0.2 C=COCCN BB57-6790 [0,2,0,0,0,0|1,0,0]=3 62 B5R0.2 CCC#CCO BB58-4730 [0,2,0,0,0,0|0,0,2]=4 63 B5R0.2 CCSCCN BB53-1545 [0,2,0,0,0,0|1,0,1]=4 64 B5R0.2 CCSCCO BB54-1799 [0,2,0,0,0,0|0,0,2]=4 65 B5R0.2 CNCCSC BB57-4145 [0,2,0,0,0,0|0,1,1]=4 66 B5R0.2 COCCNN BB58-0266 [0,2,0,0,0,0|1,0,1]=4 67 B5R0.2 CSCCC#N BB12-3714 [0,2,0,0,0,0|1,0,1]=4 68 B5R0.2 N#CCCCN BB58-1324 [0,2,0,0,0,0|1,0,1]=4 69 B5R0.2 N#CCCCO BB58-5314 [0,2,0,0,0,0|0,0,2]=4 70 B5R0.2 NNCCCO BB58-0747 [0,2,0,0,0,0|0,0,2]=4 71 B5R0.2 O=CNNC=O BB12-1708 [0,2,0,0,0,0|1,0,1]=4 72 B5R0.2 OCCCCCl BB54-0721 [0,2,0,0,0,0|0,0,2]=4 73 B5R0.2 [C-]#[N+]CCCC BB56-0718 [0,2,0,0,0,0|1,0,1]=4 74 B5R0.2 [C-]#[N+]CCOC BB56-1837 [0,2,0,0,0,0|1,0,1]=4 75 B5R1.2 O=C1CNC1 BB20-3400 [0,1,0,1,0,0|0,0,0]=2 76 B5R1.3 FCC1CO1 BB57-4956 [0,1,0,1,0,0|0,0,2]=4 77 B5R1.5 CC1(N)CC1 BB58-0060 [0,1,0,1,0,0|1,0,1]=4 78 B5R1.1 C1CSCN1 BB57-3983 [0,1,0,1,0,0|0,1,1]=4