0 B3R0.2 CC(=N)N A12781 [0,0,0,0,0,0|2,0,1]=3 1 B3R0.2 Cl[Rh](Cl)Cl R5389 [0,0,0,0,0,0|4,0,0]=4 2 B2R0.1 BrCBr D18889 [1,0,0,0,0,0|2,0,0]=3 3 B2R0.1 CNC M12422 [1,0,0,0,0,0|1,0,0]=2 4 B2R0.1 ICI D18884 [1,0,0,0,0,0|2,0,0]=3 5 B2R0.1 N#CBr C19016 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 CC(=O)NO A3293 [0,1,0,0,0,0|1,0,1]=3 7 B4R0.1 CC(N)=NN A13105 [0,1,0,0,0,0|2,0,1]=4 8 B4R0.1 CCC(=N)N P12993 [0,1,0,0,0,0|2,0,1]=4 9 B4R0.1 CC[C@@H](C)O B4806 [0,1,0,0,0,0|0,0,0]=1 10 B4R0.1 CC[C@H](C)O B4805 [0,1,0,0,0,0|0,0,0]=1 11 B4R0.1 CSC(=N)N M13864 [0,1,0,0,0,0|2,0,1]=4 12 B4R0.1 C[C@@H](Cl)CO C4812 [0,1,0,0,0,0|1,0,0]=2 13 B4R0.1 C[C@@H](N)CN D1041 [0,1,0,0,0,0|1,0,0]=2 14 B4R0.1 C[C@@H](N)CN D7317 [0,1,0,0,0,0|1,0,0]=2 15 B4R0.1 C[C@@H](N)CO A1425 [0,1,0,0,0,0|1,0,0]=2 16 B4R0.1 C[C@@H](O)CCl C4810 [0,1,0,0,0,0|0,0,0]=1 17 B4R0.1 C[C@@H](O)CCl C4810 [0,1,0,0,0,0|0,0,0]=1 18 B4R0.1 C[C@@H](O)CN A6198 [0,1,0,0,0,0|0,0,0]=1 19 B4R0.1 C[C@@H](O)CN A6198 [0,1,0,0,0,0|0,0,0]=1 20 B4R0.1 C[C@@H](O)CO P2644 [0,1,0,0,0,0|0,0,0]=1 21 B4R0.1 C[C@@H](O)CO P2644 [0,1,0,0,0,0|0,0,0]=1 22 B4R0.1 C[C@H](Cl)CO C4811 [0,1,0,0,0,0|1,0,0]=2 23 B4R0.1 C[C@H](N)CO A5008 [0,1,0,0,0,0|1,0,0]=2 24 B4R0.1 C[C@H](N)CO A5008 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 C[C@H](O)CCl C4809 [0,1,0,0,0,0|0,0,0]=1 26 B4R0.1 C[C@H](O)CCl C4809 [0,1,0,0,0,0|0,0,0]=1 27 B4R0.1 C[C@H](O)CN A5854 [0,1,0,0,0,0|0,0,0]=1 28 B4R0.1 C[C@H](O)CO P6701 [0,1,0,0,0,0|0,0,0]=1 29 B4R0.1 C\C(N)=N\O H13104 [0,1,0,0,0,0|1,0,1]=3 30 B4R0.1 N=C(N)CF F14053 [0,1,0,0,0,0|2,0,1]=4 31 B4R0.1 N=C(N)CN A17678 [0,1,0,0,0,0|2,0,1]=4 32 B4R0.1 NC(=O)NO H13275 [0,1,0,0,0,0|2,0,1]=4 33 B3R0.1 C#CCN P12530 [1,1,0,0,0,0|0,0,2]=4 34 B3R0.1 C#CCN P12531 [1,1,0,0,0,0|0,0,2]=4 35 B5R0.1 CCCC(=O)O B18853 [0,2,0,0,0,0|1,0,1]=4 36 B5R0.1 CCC[C@H](C)O P4807 [0,2,0,0,0,0|0,0,0]=2 37 B5R0.1 CNCC(=O)O S18803 [0,2,0,0,0,0|1,0,1]=4 38 B5R0.1 COC[C@@H](C)O M5850 [0,2,0,0,0,0|0,0,0]=2 39 B5R0.1 COC[C@H](C)O M5856 [0,2,0,0,0,0|0,0,0]=2 40 B5R0.1 C\C(I)=C\CI D16723 [0,2,0,0,0,0|1,0,1]=4 41 B5R0.3 C=C(CCl)CCl C19303 [0,2,0,0,0,0|1,0,1]=4 42 B5R0.3 C=C[C@H](N)CO A18275 [0,2,0,0,0,0|1,0,1]=4 43 B5R0.3 CC(CN)CO A15437 [0,2,0,0,0,0|0,0,0]=2 44 B5R0.3 COC(=O)CN G18901 [0,2,0,0,0,0|0,0,2]=4 45 B5R0.3 ClCC(Br)CBr D10531 [0,2,0,0,0,0|1,0,0]=3 46 B5R0.3 NC[C@@H](O)CO A4797 [0,2,0,0,0,0|0,0,0]=2 47 B5R0.3 NC[C@H](O)CO P6783 [0,2,0,0,0,0|0,0,0]=2 48 B5R0.3 NC[C@H](O)CO P6783 [0,2,0,0,0,0|0,0,0]=2 49 B5R0.3 N\C(CF)=N\O F14052 [0,2,0,0,0,0|1,0,1]=4 50 B5R0.3 OC[C@@H](O)CCl C4763 [0,2,0,0,0,0|0,0,0]=2 51 B5R0.3 OC[C@@H](O)CCl C4763 [0,2,0,0,0,0|0,0,0]=2 52 B5R0.3 OC[C@H](O)CCl C4762 [0,2,0,0,0,0|0,0,0]=2 53 B5R0.3 OC[C@H](O)CCl C4762 [0,2,0,0,0,0|0,0,0]=2 54 B5R0.4 C[Si](C)(C)C#N T19015 [0,2,0,0,0,0|1,1,0]=4 55 B5R0.4 C[Si](C)(C)CCl C16837 [0,2,0,0,0,0|1,1,0]=4 56 B5R0.5 CC(=O)C(C)O A1243 [0,2,0,0,0,0|0,0,0]=2 57 B5R0.5 CC(Br)C(=O)O B18872 [0,2,0,0,0,0|1,0,0]=3 58 B5R0.5 CC(C)C(=N)N M12995 [0,2,0,0,0,0|1,0,0]=3 59 B5R0.5 CC(C)C(N)=O I11048 [0,2,0,0,0,0|0,0,1]=3 60 B5R0.5 CC(Cl)C(=O)Cl C18873 [0,2,0,0,0,0|1,0,1]=4 61 B5R0.5 CC(O)C(=N)N H13779 [0,2,0,0,0,0|0,0,1]=3 62 B5R0.5 CN(C)C(=N)N D13765 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [0,2,0,0,0,0|1,0,0]=3 64 B5R0.5 C[C@@H](N)C(=O)O A6086 [0,2,0,0,0,0|1,0,0]=3 65 B5R0.5 C[C@@H](O)C(=N)N H16733 [0,2,0,0,0,0|0,0,1]=3 66 B5R0.5 C[C@H](Cl)C(=O)O C4804 [0,2,0,0,0,0|1,0,0]=3 67 B5R0.5 C[C@H](N)C(N)=O A6327 [0,2,0,0,0,0|1,0,1]=4 68 B5R1.2 ClC1CCC1 C18781 [0,1,0,1,0,0|1,0,0]=3 69 B5R1.2 FC1CNC1 F12347 [0,1,0,1,0,0|1,0,0]=3 70 B5R1.2 FC1CNC1 F12347 [0,1,0,1,0,0|1,0,0]=3 71 B5R1.2 NC1CCC1 A18148 [0,1,0,1,0,0|1,0,0]=3 72 B5R1.2 NC1CNC1 A13816 [0,1,0,1,0,0|1,0,0]=3 73 B5R1.2 O=C1CCC1 C17719 [0,1,0,1,0,0|0,0,2]=4 74 B5R1.2 O=C1CCN1 A18280 [0,1,0,1,0,0|0,0,2]=4 75 B5R1.2 O=C1COC1 O19064 [0,1,0,1,0,0|0,0,2]=4 76 B5R1.2 OC1CNC1 H11075 [0,1,0,1,0,0|0,0,0]=2 77 B5R1.3 BrCC1CC1 C1292 [0,1,0,1,0,0|1,0,0]=3 78 B5R1.3 ClC[C@@H]1CO1 E4755 [0,1,0,1,0,0|0,0,0]=2 79 B5R1.3 ClC[C@@H]1CO1 E4755 [0,1,0,1,0,0|0,0,0]=2 80 B5R1.3 ClC[C@H]1CO1 E4754 [0,1,0,1,0,0|0,0,0]=2 81 B5R1.3 N#CC1CC1 C0232 [0,1,0,1,0,0|1,0,0]=3 82 B5R1.3 NCC1CC1 C2241 [0,1,0,1,0,0|1,0,0]=3 83 B5R1.3 NCC1CC1 C2241 [0,1,0,1,0,0|1,0,0]=3 84 B5R1.3 OC[C@@H]1CO1 G4757 [0,1,0,1,0,0|0,0,0]=2 85 B5R1.3 OC[C@H]1CO1 G4756 [0,1,0,1,0,0|0,0,0]=2 86 B5R1.3 OC[C@H]1CO1 G4756 [0,1,0,1,0,0|0,0,0]=2 87 B5R1.4 CC1OC1C E1498 [0,1,0,1,0,0|0,0,0]=2