0 B5R0.1 CC(CCO)N LS41893 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 CCC[C@@H](C)O LS30259 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CCC[C@H](C)O LS30258 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 CN(C)CCCl LS41162 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 C[C@@H](CCO)N LS30207 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.1 C[C@H](CCO)N LS30127 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|0,0,3]=4 7 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 CC(CCl)Cl LS40550 [1,0,0,0,0,0|2,0,0]=3 9 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|1,0,1]=3 11 B4R0.1 C[C@@H](CCl)O LS30025 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 C[C@@H](CO)Cl LS30257 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 C[C@@H](CO)N LS30252 [1,0,0,0,0,0|1,0,1]=3 14 B4R0.1 C[C@@H](CO)O LS30238 [1,0,0,0,0,0|1,0,1]=3 15 B4R0.1 C[C@H](CCl)O LS30026 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 C[C@H](CO)Cl LS30085 [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 C[C@H](CO)N LS30253 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 C[C@H](CO)O LS30239 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.2 C(CF)CF LS40664 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.2 C(CN)CBr LS00114 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.2 C(CO)CF LS40656 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.1 C(C#N)[C@@H](CCl)O LS30056 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 C(C#N)[C@H](CCl)O LS30057 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.2 B(CC(C)C)(O)O LS40457 [0,1,0,0,0,0|1,0,1]=3 29 B6R0.2 CC(C)CC(C)N LS41472 [0,1,0,0,0,0|1,0,1]=3 30 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.5 C(C=O)C(F)(F)F LS40954 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.5 CC(C)(C)CC=O LS40274 [0,1,0,0,0,0|0,0,0]=1 34 B6R0.5 C[Si](C)(C)CC=C LS40348 [0,1,0,0,0,0|1,1,0]=3 35 B6R0.5 C[Si](C)(C)CCO LS40275 [0,1,0,0,0,0|0,1,2]=4 36 B6R1.2 C1CNCC1N LS20700 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.2 C1CNC[C@@H]1O LS30060 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.2 C1CNC[C@@H]1O LS30061 [0,0,0,1,0,0|2,0,1]=4 39 B6R1.2 C1CNC[C@H]1N LS30070 [0,0,0,1,0,0|2,0,1]=4 40 B6R1.2 C1COCC1O LS21045 [0,0,0,1,0,0|1,0,2]=4 41 B6R1.2 C1COC[C@@H]1N LS30001 [0,0,0,1,0,0|1,0,2]=4 42 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,1,0,0|1,0,2]=4 43 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,1,0,0|1,0,2]=4 44 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,1,0,0|1,0,2]=4 45 B6R1.3 COC[C@@H]1CO1 LS30113 [0,0,0,1,0,0|3,0,0]=4 46 B3R0.1 C(CCl)N LS40418 [2,0,0,0,0,0|2,0,0]=4 47 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,0,1]=4 48 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|1,0,1]=4 49 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|2,0,0]=4 50 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 51 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|1,0,1]=4 52 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|1,0,1]=4 53 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|1,0,1]=4 54 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|1,0,1]=4 55 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,0,1]=3 56 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|1,0,0]=3 57 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.3 C(C(CO)N)O LS41161 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.3 C([C@@H](CCl)O)N LS30231 [1,1,0,0,0,0|2,0,0]=4 60 B5R0.3 C([C@@H](CCl)O)O LS30054 [1,1,0,0,0,0|1,0,1]=4 61 B5R0.3 C([C@@H](CO)O)N LS30120 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.3 C([C@H](CCl)O)O LS30055 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.3 C([C@H](CO)O)N LS30267 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.3 CCC(CO)N LS40333 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.3 CC[C@@H](CO)O LS30248 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.3 CC[C@H](CO)O LS30249 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.4 C(=O)C(Br)(Br)Br LS41234 [1,1,0,0,0,0|2,0,0]=4 68 B5R0.4 CC(C)(C)C=C LS40301 [1,1,0,0,0,0|0,0,1]=3 69 B5R0.4 CC(C)(C)CO LS40233 [1,1,0,0,0,0|0,0,1]=3 70 B5R0.4 CC(C)(CCl)O LS40441 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.4 CC(CO)(F)F LS41182 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.5 B(C(C)C)(O)O LS11150 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.5 CC(=O)C(=O)O LS41153 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,1,0,0,0,0|1,0,1]=4 77 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.5 CC(C(=O)O)Br LS40410 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,1,0,0,0,0|1,0,0]=3 81 B5R0.2 C(CC#N)CCl LS40416 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.2 C(CCBr)CBr LS40910 [1,1,0,0,0,0|1,0,1]=4 83 B5R0.2 C(CCF)CF LS40665 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.2 C(CCF)CO LS40657 [1,1,0,0,0,0|0,0,2]=4 85 B5R0.2 C=CCCCBr LS20766 [1,1,0,0,0,0|1,0,0]=3 86 B5R0.2 COCCC#N LS40792 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.2 COCCCBr LS40222 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,2,0,0,0,0|1,0,0]=3 89 B7R0.2 CCC(C)CC(C)N LS41471 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.2 COC(=O)CC(=O)O LS41603 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,2,0,0,0,0|1,0,0]=3 92 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,2,0,0,0,0|1,0,0]=3 93 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,2,0,0,0,0|1,0,0]=3 94 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.12 COCC(OC)OC LS40169 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.9 C(C(=O)O)C(F)(F)F LS40953 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.6 CC(C)CCC(C)N LS41494 [0,2,0,0,0,0|1,0,1]=4 99 B5R1.2 C1C(CN1)O LS40392 [1,0,0,1,0,0|2,0,0]=4 100 B5R1.2 C1C(CO1)I LS41126 [1,0,0,1,0,0|1,0,1]=4 101 B5R1.3 C1[C@@H](O1)CCl LS30047 [1,0,0,1,0,0|2,0,0]=4 102 B5R1.3 C1[C@@H](O1)CO LS30048 [1,0,0,1,0,0|1,0,1]=4 103 B5R1.3 C1[C@H](O1)CO LS30049 [1,0,0,1,0,0|1,0,1]=4 104 B5R1.3 CC[C@@H]1CO1 LS30243 [1,0,0,1,0,0|1,0,1]=4 105 B5R1.3 CC[C@H]1CO1 LS30242 [1,0,0,1,0,0|1,0,1]=4 106 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.1 C1C=CCC1CO LS40472 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,1,0,1,0,0|1,0,1]=4 109 B7R1.1 C1CNC[C@H]1CO LS30146 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.2 C1CC(=O)CC1=O LS41637 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,1,0,1,0,0|1,0,0]=3 115 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.3 CC1CCCCN1 LS21158 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,1,0,1,0,0|1,0,1]=4 118 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,1,0,1,0,0|0,0,2]=4 120 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,1,0,1,0,0|0,0,2]=4 121 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,1,0,1,0,0|1,0,1]=4 123 B7R1.3 C[C@H]1COCCN1 LS30012 [0,1,0,1,0,0|0,0,2]=4 124 B7R1.3 C[C@H]1COCCN1 LS30156 [0,1,0,1,0,0|0,0,2]=4 125 B7R1.25 CC1(COC1)CO LS40343 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,1,0,1,0,0|1,0,0]=3