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|2,0,0]=2 2 B5R0.3 CCC(C)NC BB53-1672 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 CC\C(N)=N\O BB12-3467 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CNC(=O)CO BB58-0349 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.3 CNC(C)CO BB12-1570 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 COC(C)CN BB55-4647 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.3 NNC(=O)CO BB12-3095 [0,0,0,0,0,0|2,1,1]=4 8 B5R0.3 NNC(=O)CS BB58-4379 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.3 N\C(CCl)=N/O BB57-3706 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 N\C(CO)=N\O BB57-2423 [0,0,0,0,0,0|2,1,1]=4 11 B5R0.3 [C-]#[N+]C(C)CC BB56-1204 [0,0,0,0,0,0|4,0,0]=4 12 B4R0.1 CC(C)NN BB54-0473 [1,0,0,0,0,0|3,0,0]=4 13 B4R0.1 CC(N)CO BB01-7506 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.1 C[C@H](N)CO BB20-1224 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 C\C(N)=N\O BB53-1937 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 NC(=S)CO BB58-2954 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.2 CCCNN BB58-2805 [1,0,0,0,0,0|3,0,0]=4 18 B4R0.2 CNCCCl BB57-4776 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.2 CNCCI BB57-4692 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.2 CSCCCl BB53-1396 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.2 CSCCN BB12-0970 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.1 CC(CN)CCN BB12-1906 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.1 CCCC(O)CN BB58-4054 [0,1,0,0,0,0|2,1,0]=4 24 B6R0.1 CCNC(C)CO BB12-1659 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.1 CCOC(C)CN BB57-2923 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.1 CC[C@H](N)COC BB20-3253 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.1 CNC(C)CCO BB05-4613 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 CNC(C)CCO BB12-1373 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 COCC(C)C#N BB55-7988 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 COCC(O)CN BB55-6376 [0,1,0,0,0,0|1,1,0]=3 31 B6R0.1 CSC\C(N)=N\O BB12-3469 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.3 CC(C)C(N)CO BB01-7497 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.3 CC(C)C(O)CN BB58-1333 [0,1,0,0,0,0|2,1,0]=4 34 B6R0.3 CC(CO)[N+](=O)[O-] BB12-1675 [0,1,0,0,0,0|2,1,0]=4 35 B6R0.3 NC(CCl)C(=O)O BB57-2456 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.3 O=C(O)C(O)CCl BB57-6579 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.8 C=CC(C)(C)CO BB57-4301 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.8 CC(C)(C#N)CO BB57-1057 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.8 CC(C)(CN)CO BB57-1061 [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|3,0,0]=4 41 B6R0.8 CCC(C)(N)CO BB56-2220 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.8 CCC(C)(O)CN BB58-5227 [0,1,0,0,0,0|2,1,0]=4 43 B6R1.2 NC1CCOC1 BB55-5168 [0,0,0,1,0,0|2,0,0]=3 44 B6R1.2 OC1CNOC1 BB12-1709 [0,0,0,1,0,0|1,1,0]=3 45 B6R1.2 O[C@@H]1CCNC1 BB12-3487 [0,0,0,1,0,0|2,1,0]=4 46 B6R1.6 NCC1CCC1 BB12-1679 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.7 CC1(CN)CC1 BB58-3753 [0,0,0,1,0,0|3,0,0]=4 48 B6R1.7 CCC1(N)CC1 BB58-3768 [0,0,0,1,0,0|3,0,0]=4 49 B3R0.1 [C-]#[N+]CC BB56-1802 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CC(N)CCO BB57-1076 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.1 CC(O)CNN BB58-3435 [1,1,0,0,0,0|1,1,0]=4 52 B5R0.1 CNCC(C)O BB12-1288 [1,1,0,0,0,0|1,1,0]=4 53 B5R0.4 CC(C)(N)CO BB17-0635 [1,1,0,0,0,0|1,0,0]=3 54 B5R0.4 CC(C)(O)CBr BB58-5360 [1,1,0,0,0,0|1,1,0]=4 55 B5R0.2 CCC#CCO BB58-4730 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.2 CCSCCN BB53-1545 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.2 CCSCCO BB54-1799 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.2 CNCCSC BB57-4145 [1,1,0,0,0,0|2,0,0]=4 59 B5R0.2 COCCNN BB58-0266 [1,1,0,0,0,0|2,0,0]=4 60 B5R0.2 CSCCC#N BB12-3714 [1,1,0,0,0,0|1,0,1]=4 61 B5R0.2 N#CCCCN BB58-1324 [1,1,0,0,0,0|2,0,0]=4 62 B5R0.2 N#CCCCO BB58-5314 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.2 NNCCCO BB58-0747 [1,1,0,0,0,0|1,0,0]=3 64 B5R0.2 OCCCCCl BB54-0721 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.2 [C-]#[N+]CCCC BB56-0718 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.2 [C-]#[N+]CCOC BB56-1837 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.2 CC(CO)CN(C)C BB12-3644 [0,2,0,0,0,0|2,0,0]=4 68 B7R0.3 CCCCC(N)CO BB56-2048 [0,2,0,0,0,0|2,0,0]=4 69 B7R0.3 CSCCC(N)CO BB56-2047 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.7 CCNC(C)CCO BB12-1398 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.7 CNCC(O)COC BB17-0811 [0,2,0,0,0,0|1,1,0]=4 72 B7R0.11 CNCC(C)(C)CO BB57-0988 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.14 CC(C)(O)C(O)CN BB58-0361 [0,2,0,0,0,0|1,1,0]=4 74 B7R0.15 CCC(CO)N(C)C BB12-3597 [0,2,0,0,0,0|2,0,0]=4 75 B5R1.3 FCC1CO1 BB57-4956 [1,0,0,1,0,0|1,1,0]=4 76 B5R1.5 CC1(N)CC1 BB58-0060 [1,0,0,1,0,0|2,0,0]=4 77 B5R1.1 C1CSCN1 BB57-3983 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 BrC1CCCOC1 BB55-3590 [0,1,0,1,0,0|2,0,0]=4 79 B7R1.3 BrC1CCSCC1 BB57-4184 [0,1,0,1,0,0|2,0,0]=4 80 B7R1.3 CC1CCOCC1 BB32-2892 [0,1,0,1,0,0|2,0,0]=4 81 B7R1.3 NC1CCCOC1 BB12-2177 [0,1,0,1,0,0|2,0,0]=4 82 B7R1.3 NC1CCOCC1 BB54-3533 [0,1,0,1,0,0|2,0,0]=4 83 B7R1.3 OC1CCOCC1 BB12-1171 [0,1,0,1,0,0|1,1,0]=4 84 B7R1.3 OC1CCSCC1 BB53-1540 [0,1,0,1,0,0|1,1,0]=4 85 B7R1.4 N[C@@H]1CSC[C@H]1O BB54-3348 [0,1,0,1,0,0|1,0,0]=3 86 B7R1.6 OCCC1CCC1 BB31-5201 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.21 COCC1(N)CC1 BB58-3745 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.22 N[C@H](CO)C1CC1 BB32-0741 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.25 CC1(CO)CSC1 BB57-4080 [0,1,0,1,0,0|1,0,0]=3 90 B7R1.23 CC1(C)CC1CO BB31-7326 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.29 N#CC1(CO)CC1 BB57-0986 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.29 NCC1(CO)CC1 BB57-1078 [0,1,0,1,0,0|2,0,0]=4