0 B4R0.2 BrCCCBr D18864 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 NCCCCl C18780 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.2 NCCCO A18882 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.2 NNCCO H13045 [0,0,0,0,0,0|4,0,0]=4 4 B3R0.1 C#CCN P12530 [1,0,0,0,0,0|2,0,1]=4 5 B3R0.1 C#CCN P12531 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CCCC(=O)O B18853 [0,1,0,0,0,0|1,0,0]=2 7 B5R0.1 CCC[C@H](C)O P4807 [0,1,0,0,0,0|1,0,2]=4 8 B5R0.1 CNCC(=O)O S18803 [0,1,0,0,0,0|2,0,0]=3 9 B5R0.1 COCC(=N)N M13846 [0,1,0,0,0,0|3,0,0]=4 10 B5R0.1 COC[C@@H](C)O M5850 [0,1,0,0,0,0|3,0,0]=4 11 B5R0.1 COC[C@H](C)O M5856 [0,1,0,0,0,0|3,0,0]=4 12 B5R0.1 CSCC(=N)N M13847 [0,1,0,0,0,0|3,0,0]=4 13 B5R0.1 C\C(I)=C\CI D16723 [0,1,0,0,0,0|3,0,0]=4 14 B5R0.1 N#CCC(N)=O C0404 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.2 CNCCCN M14932 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.2 NCCCCO A18122 [0,1,0,0,0,0|1,0,2]=4 17 B5R0.2 OCCCCBr B18469 [0,1,0,0,0,0|1,0,2]=4 18 B5R0.3 C=C[C@H](N)CO A18275 [0,1,0,0,0,0|3,0,0]=4 19 B5R1.1 C1=CCNC1 P12964 [0,0,0,1,0,0|3,0,0]=4 20 B5R1.1 C1=CON=C1 I12950 [0,0,0,1,0,0|2,0,1]=4 21 B5R1.2 ClC1CCC1 C18781 [0,0,0,1,0,0|2,0,1]=4 22 B5R1.2 NC1CCC1 A18148 [0,0,0,1,0,0|2,0,1]=4 23 B5R1.2 O=C1CCC1 C17719 [0,0,0,1,0,0|1,0,0]=2 24 B5R1.2 O=C1CCN1 A18280 [0,0,0,1,0,0|1,0,0]=2 25 B5R1.2 O=C1COC1 O19064 [0,0,0,1,0,0|2,0,0]=3 26 B5R1.3 BrCC1CC1 C1292 [0,0,0,1,0,0|2,0,1]=4 27 B5R1.3 N#CC1CC1 C0232 [0,0,0,1,0,0|2,0,1]=4 28 B5R1.3 NCC1CC1 C2241 [0,0,0,1,0,0|2,0,1]=4 29 B5R1.3 NCC1CC1 C2241 [0,0,0,1,0,0|2,0,1]=4 30 B5R1.4 CC1OC1C E1498 [0,0,0,1,0,0|1,0,1]=3 31 B2R0.1 BrCBr D18889 [2,0,0,0,0,0|2,0,0]=4 32 B2R0.1 CNC M12422 [2,0,0,0,0,0|1,0,1]=4 33 B2R0.1 ICI D18884 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.1 CC(=O)NO A3293 [1,1,0,0,0,0|2,0,0]=4 35 B4R0.1 CCC(=N)N P12993 [1,1,0,0,0,0|1,0,0]=3 36 B4R0.1 CC[C@@H](C)O B4806 [1,1,0,0,0,0|0,0,2]=4 37 B4R0.1 CC[C@H](C)O B4805 [1,1,0,0,0,0|0,0,2]=4 38 B4R0.1 CSC(=N)N M13864 [1,1,0,0,0,0|1,1,0]=4 39 B4R0.1 C[C@@H](Cl)CO C4812 [1,1,0,0,0,0|0,0,2]=4 40 B4R0.1 C[C@@H](N)CN D1041 [1,1,0,0,0,0|1,0,1]=4 41 B4R0.1 C[C@@H](N)CN D7317 [1,1,0,0,0,0|1,0,1]=4 42 B4R0.1 C[C@@H](N)CO A1425 [1,1,0,0,0,0|0,0,2]=4 43 B4R0.1 C[C@@H](O)CCl C4810 [1,1,0,0,0,0|1,0,1]=4 44 B4R0.1 C[C@@H](O)CCl C4810 [1,1,0,0,0,0|1,0,1]=4 45 B4R0.1 C[C@@H](O)CN A6198 [1,1,0,0,0,0|1,0,1]=4 46 B4R0.1 C[C@@H](O)CN A6198 [1,1,0,0,0,0|1,0,1]=4 47 B4R0.1 C[C@@H](O)CO P2644 [1,1,0,0,0,0|0,0,2]=4 48 B4R0.1 C[C@@H](O)CO P2644 [1,1,0,0,0,0|0,0,2]=4 49 B4R0.1 C[C@H](Cl)CO C4811 [1,1,0,0,0,0|0,0,2]=4 50 B4R0.1 C[C@H](N)CO A5008 [1,1,0,0,0,0|0,0,2]=4 51 B4R0.1 C[C@H](N)CO A5008 [1,1,0,0,0,0|0,0,2]=4 52 B4R0.1 C[C@H](O)CCl C4809 [1,1,0,0,0,0|1,0,1]=4 53 B4R0.1 C[C@H](O)CCl C4809 [1,1,0,0,0,0|1,0,1]=4 54 B4R0.1 C[C@H](O)CN A5854 [1,1,0,0,0,0|1,0,1]=4 55 B4R0.1 C[C@H](O)CO P6701 [1,1,0,0,0,0|0,0,2]=4 56 B4R0.1 N=C(N)CF F14053 [1,1,0,0,0,0|2,0,0]=4 57 B4R0.1 N=C(N)CN A17678 [1,1,0,0,0,0|2,0,0]=4 58 B4R0.1 NC(=O)NO H13275 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.1 C=CC(=O)CCC H17062 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.1 C=CC(O)CCN A15818 [0,2,0,0,0,0|2,0,0]=4 61 B6R0.1 CCC\C(N)=N/O H14022 [0,2,0,0,0,0|1,0,1]=4 62 B6R0.1 CCOC(=O)CN A14488 [0,2,0,0,0,0|0,0,0]=2 63 B6R0.1 CCO\C(C)=N/O H17707 [0,2,0,0,0,0|0,0,1]=3 64 B6R0.1 CNCC(=O)OC M5408 [0,2,0,0,0,0|2,0,0]=4 65 B6R0.2 C(C(=O)O)N(C)C D18801 [0,2,0,0,0,0|2,0,0]=4 66 B6R0.2 CC(C)=CC(=O)O D18784 [0,2,0,0,0,0|1,0,1]=4 67 B6R0.2 CC(C)CC(=N)N M13844 [0,2,0,0,0,0|2,0,0]=4 68 B6R0.3 CCC(C)C(=N)N M13845 [0,2,0,0,0,0|2,0,0]=4 69 B6R0.3 CCC(N)C(=O)O A2780 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.3 CC[C@H](N)C(=O)O H17729 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.3 CC[C@H](N)C(N)=O A3220 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.3 CC[C@H](N)C(N)=O A3220 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.3 NCC(N)C(=O)O D14331 [0,2,0,0,0,0|2,0,0]=4 74 B6R0.3 NCC(N)C(=O)O D14332 [0,2,0,0,0,0|2,0,0]=4 75 B6R0.3 NC[C@H](N)C(=O)O A18206 [0,2,0,0,0,0|2,0,0]=4 76 B6R0.3 NC[C@H](O)C(=O)O I4023 [0,2,0,0,0,0|2,0,0]=4 77 B6R0.3 N[C@@H](CS)C(=O)O C0937 [0,2,0,0,0,0|2,0,0]=4 78 B6R0.3 N[C@@H](CS)C(=O)O C0937 [0,2,0,0,0,0|2,0,0]=4 79 B6R0.3 N[C@@H](CS)C(=O)O C2088 [0,2,0,0,0,0|2,0,0]=4 80 B6R0.3 N[C@@H](CS)C(=O)O C2088 [0,2,0,0,0,0|2,0,0]=4 81 B6R0.3 N[C@H](CO)C(=O)O S5985 [0,2,0,0,0,0|2,0,0]=4 82 B6R0.3 N[C@H](CS)C(=O)O C6089 [0,2,0,0,0,0|2,0,0]=4 83 B6R0.4 CC\C=C\C(=N)N P16911 [0,2,0,0,0,0|2,0,0]=4 84 B6R0.4 COCCC(=N)N M13848 [0,2,0,0,0,0|2,0,0]=4 85 B6R0.4 N=C(N)NCCS M17502 [0,2,0,0,0,0|2,0,0]=4 86 B6R0.4 NCCCC(=O)O A19243 [0,2,0,0,0,0|1,0,0]=3 87 B6R0.4 O=C(Cl)CCCCl C18875 [0,2,0,0,0,0|1,0,0]=3 88 B6R0.4 O=C([O-])CNCO S17161 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.6 ICCOCCI I12663 [0,2,0,0,0,0|1,0,1]=4 90 B6R1.2 NC1=NCCS1 A5327 [0,1,0,1,0,0|1,1,0]=4 91 B6R1.2 NC1=NCCS1 E5676 [0,1,0,1,0,0|1,1,0]=4 92 B6R1.2 N[C@H]1CCOC1 A19174 [0,1,0,1,0,0|1,0,1]=4 93 B6R1.2 O=C1C=CCC1 C18886 [0,1,0,1,0,0|1,0,0]=3 94 B6R1.2 O=C1CCSC1 T11319 [0,1,0,1,0,0|0,1,0]=3 95 B6R1.2 O=C1CC[NH2+]N1 P12961 [0,1,0,1,0,0|1,0,0]=3 96 B6R1.2 O=C1NCCO1 O11604 [0,1,0,1,0,0|0,0,0]=2 97 B6R1.2 O[C@@H]1CCOC1 H7200 [0,1,0,1,0,0|0,0,2]=4 98 B6R1.2 O[C@H]1CCOC1 H2612 [0,1,0,1,0,0|0,0,2]=4 99 B6R1.11 CC(=O)C1CC1 C0960 [0,1,0,1,0,0|1,0,0]=3 100 B6R1.11 O=C(O)C1CC1 C1203 [0,1,0,1,0,0|1,0,0]=3 101 B6R1.1 C1COCCN1 M12430 [0,1,0,1,0,0|1,0,1]=4