0 B4R0.2 C(CF)CF LS40664 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.2 C(CN)CBr LS00114 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 C(CO)CF LS40656 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.2 C=CCCBr LS20765 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.2 C=CCCO LS40761 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.2 CNCCO LS40382 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.2 COCCBr LS40281 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.1 C(CCl)N LS40418 [1,0,0,0,0,0|2,0,0]=3 8 B3R0.1 C(CF)O LS40655 [1,0,0,0,0,0|1,0,1]=3 9 B3R0.1 C(CO)N LS41686 [1,0,0,0,0,0|1,0,1]=3 10 B3R0.1 CCNN LS40292 [1,0,0,0,0,0|2,0,0]=3 11 B3R0.1 CNOC LS41340 [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 B(CCC)(O)O LS11148 [0,1,0,0,0,0|1,0,1]=3 13 B5R0.1 C(C#N)C(=O)N LS41191 [0,1,0,0,0,0|1,0,1]=3 14 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,1,0,0,0,0|1,0,0]=2 15 B5R0.1 C(CO)C(=O)O LS40008 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.1 CC#CC(=O)O LS40078 [0,1,0,0,0,0|0,0,2]=3 18 B5R0.1 CC(CCO)N LS41893 [0,1,0,0,0,0|0,0,2]=3 19 B5R0.1 CCC[C@@H](C)O LS30259 [0,1,0,0,0,0|0,0,2]=3 20 B5R0.1 CCC[C@H](C)O LS30258 [0,1,0,0,0,0|0,0,2]=3 21 B5R0.1 CN(C)CCCl LS41162 [0,1,0,0,0,0|2,0,1]=4 22 B5R0.1 C[C@@H](CCO)N LS30207 [0,1,0,0,0,0|0,0,2]=3 23 B5R0.1 C[C@H](CCO)N LS30127 [0,1,0,0,0,0|0,0,2]=3 24 B5R0.2 C(CC#N)CCl LS40416 [0,1,0,0,0,0|1,0,1]=3 25 B5R0.2 C(CCBr)CBr LS40910 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.2 C(CCF)CF LS40665 [0,1,0,0,0,0|1,0,1]=3 27 B5R0.2 C(CCF)CO LS40657 [0,1,0,0,0,0|0,0,2]=3 28 B5R0.2 C(\C=C/CCl)Cl LS30130 [0,1,0,0,0,0|2,0,1]=4 29 B5R0.2 C(\C=C\CCl)Cl LS30302 [0,1,0,0,0,0|2,0,1]=4 30 B5R0.2 C=CCCCBr LS20766 [0,1,0,0,0,0|1,0,0]=2 31 B5R0.2 COCCC#N LS40792 [0,1,0,0,0,0|1,0,1]=3 32 B5R0.2 COCCCBr LS40222 [0,1,0,0,0,0|1,0,1]=3 33 B5R0.3 C(C(C#N)Cl)Cl LS41727 [0,1,0,0,0,0|2,0,1]=4 34 B5R0.3 C(C(CO)N)O LS41161 [0,1,0,0,0,0|1,0,2]=4 35 B5R0.3 C([C@@H](CCl)O)N LS30231 [0,1,0,0,0,0|2,0,1]=4 36 B5R0.3 C([C@@H](CCl)O)O LS30054 [0,1,0,0,0,0|1,0,2]=4 37 B5R0.3 C([C@@H](CO)O)N LS30120 [0,1,0,0,0,0|1,0,2]=4 38 B5R0.3 C([C@H](CCl)O)O LS30055 [0,1,0,0,0,0|1,0,2]=4 39 B5R0.3 C([C@H](CO)O)N LS30267 [0,1,0,0,0,0|1,0,2]=4 40 B5R0.3 CCC(CO)N LS40333 [0,1,0,0,0,0|0,0,2]=3 41 B5R0.3 CC[C@@H](CO)O LS30248 [0,1,0,0,0,0|0,0,2]=3 42 B5R0.3 CC[C@H](CO)O LS30249 [0,1,0,0,0,0|0,0,2]=3 43 B5R1.1 C1C=CCN1 LS20566 [0,0,0,1,0,0|2,0,0]=3 44 B5R1.2 C1C(=O)CO1 LS41911 [0,0,0,1,0,0|1,0,0]=2 45 B5R1.2 C1C(=O)CS1 LS40394 [0,0,0,1,0,0|1,0,0]=2 46 B5R1.2 C1C(CN1)O LS40392 [0,0,0,1,0,0|1,0,2]=4 47 B5R1.2 C1C(CO1)I LS41126 [0,0,0,1,0,0|2,0,1]=4 48 B5R1.2 C1CC(=O)C1 LS40231 [0,0,0,1,0,0|0,0,0]=1 49 B5R1.3 C1[C@@H](O1)CCl LS30047 [0,0,0,1,0,0|1,0,2]=4 50 B5R1.3 C1[C@@H](O1)CO LS30048 [0,0,0,1,0,0|1,0,2]=4 51 B5R1.3 C1[C@H](O1)CO LS30049 [0,0,0,1,0,0|1,0,2]=4 52 B5R1.3 CC[C@@H]1CO1 LS30243 [0,0,0,1,0,0|0,0,2]=3 53 B5R1.3 CC[C@H]1CO1 LS30242 [0,0,0,1,0,0|0,0,2]=3 54 B2R0.1 C(=O)[O-] LS60287 [2,0,0,0,0,0|1,0,0]=3 55 B2R0.1 C(=O)[O-] LS60313 [2,0,0,0,0,0|1,0,0]=3 56 B2R0.1 [O-]P=O LS00029 [2,0,0,0,0,0|2,0,0]=4 57 B2R0.1 [O-]P=O LS41874 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 B(CC)(O)O LS11146 [1,1,0,0,0,0|1,0,1]=4 59 B4R0.1 C(C(=O)Cl)Br LS40185 [1,1,0,0,0,0|1,0,0]=3 60 B4R0.1 C(C(=O)N)I LS41576 [1,1,0,0,0,0|1,0,0]=3 61 B4R0.1 C(C(=O)[O-])Br LS41065 [1,1,0,0,0,0|1,0,0]=3 62 B4R0.1 CC(=C)CO LS40522 [1,1,0,0,0,0|0,0,2]=4 63 B4R0.1 CC(CCl)Cl LS40550 [1,1,0,0,0,0|1,0,0]=3 64 B4R0.1 CC[C@@H](C)O LS30261 [1,1,0,0,0,0|0,0,1]=3 65 B4R0.1 CC[C@H](C)O LS30260 [1,1,0,0,0,0|0,0,1]=3 66 B4R0.1 COC(Cl)Cl LS00123 [1,1,0,0,0,0|2,0,0]=4 67 B4R0.1 C[C@@H](CCl)O LS30025 [1,1,0,0,0,0|1,0,0]=3 68 B4R0.1 C[C@@H](CO)Cl LS30257 [1,1,0,0,0,0|0,0,1]=3 69 B4R0.1 C[C@@H](CO)N LS30252 [1,1,0,0,0,0|0,0,1]=3 70 B4R0.1 C[C@@H](CO)O LS30238 [1,1,0,0,0,0|0,0,1]=3 71 B4R0.1 C[C@H](CCl)O LS30026 [1,1,0,0,0,0|1,0,0]=3 72 B4R0.1 C[C@H](CO)Cl LS30085 [1,1,0,0,0,0|0,0,1]=3 73 B4R0.1 C[C@H](CO)N LS30253 [1,1,0,0,0,0|0,0,1]=3 74 B4R0.1 C[C@H](CO)O LS30239 [1,1,0,0,0,0|0,0,1]=3 75 B6R0.1 C(C#N)[C@@H](CCl)O LS30056 [0,2,0,0,0,0|1,0,1]=4 76 B6R0.1 C(C#N)[C@H](CCl)O LS30057 [0,2,0,0,0,0|1,0,1]=4 77 B6R0.1 CCOC(=O)CBr LS40563 [0,2,0,0,0,0|1,0,0]=3 78 B6R0.1 CCOC(=O)CF LS40582 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.1 CCOC(=O)OC LS41158 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.1 CNC(=O)CC#N LS41677 [0,2,0,0,0,0|1,0,1]=4 81 B6R0.1 COC(=N)CCCl LS40140 [0,2,0,0,0,0|1,0,1]=4 82 B6R0.2 B(CC(C)C)(O)O LS40457 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.2 CC(C)CC(C)N LS41472 [0,2,0,0,0,0|1,0,1]=4 84 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,2,0,0,0,0|0,0,0]=2 85 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,2,0,0,0,0|0,0,0]=2 86 B6R0.3 B(C(C)CC)(O)O LS11154 [0,2,0,0,0,0|1,0,1]=4 87 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [0,2,0,0,0,0|0,0,2]=4 88 B6R0.3 CC(=O)N(C)OC LS41178 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.3 CCC(=O)C(=O)O LS41883 [0,2,0,0,0,0|0,0,1]=3 90 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,2,0,0,0,0|0,0,1]=3 91 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,2,0,0,0,0|1,0,0]=3 92 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,2,0,0,0,0|0,0,0]=2 93 B6R0.4 B(CCCC)(O)O LS11153 [0,2,0,0,0,0|0,0,2]=4 94 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,2,0,0,0,0|0,0,0]=2 95 B6R0.4 C=CCCC(=O)O LS41473 [0,2,0,0,0,0|0,0,1]=3 96 B6R0.5 C(C=O)C(F)(F)F LS40954 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.5 C(CCl)S(=O)(=O)Cl LS20767 [0,2,0,0,0,0|2,0,0]=4 98 B6R0.5 CC(C)(C)CC=O LS40274 [0,2,0,0,0,0|0,0,0]=2 99 B6R0.5 CCCS(=O)(=O)Cl LS40243 [0,2,0,0,0,0|1,0,0]=3 100 B6R0.5 CS(=O)(=O)CCN LS40305 [0,2,0,0,0,0|2,0,0]=4 101 B6R0.5 C[Si](C)(C)CC=C LS40348 [0,2,0,0,0,0|1,1,0]=4 102 B6R0.6 C(CBr)NCCBr LS41604 [0,2,0,0,0,0|1,0,1]=4 103 B6R0.6 C(CCF)CCF LS40666 [0,2,0,0,0,0|1,0,1]=4 104 B6R0.6 C(CCO)CCF LS40658 [0,2,0,0,0,0|0,0,2]=4 105 B6R0.6 C(CCl)NCCCl LS40789 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.6 C=CCCCCO LS40909 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.6 COCCCCCl LS00136 [0,2,0,0,0,0|0,0,2]=4 108 B4R1.2 CC1=CC1 LS00107 [1,0,0,1,0,0|0,0,1]=3 109 B4R1.2 C[C@@H]1CO1 LS30241 [1,0,0,1,0,0|0,0,1]=3 110 B4R1.2 C[C@H]1CO1 LS30240 [1,0,0,1,0,0|0,0,1]=3 111 B6R1.2 C1CC(=O)OC1 LS40356 [0,1,0,1,0,0|0,0,0]=2 112 B6R1.2 C1CNCC1=O LS20898 [0,1,0,1,0,0|0,0,0]=2 113 B6R1.2 C1CNCC1N LS20700 [0,1,0,1,0,0|1,0,1]=4 114 B6R1.2 C1CNC[C@@H]1O LS30060 [0,1,0,1,0,0|0,0,2]=4 115 B6R1.2 C1CNC[C@@H]1O LS30061 [0,1,0,1,0,0|0,0,2]=4 116 B6R1.2 C1CNC[C@H]1N LS30070 [0,1,0,1,0,0|1,0,1]=4 117 B6R1.2 C1COCC1=O LS21051 [0,1,0,1,0,0|0,0,0]=2 118 B6R1.2 C1COCC1O LS21045 [0,1,0,1,0,0|0,0,2]=4 119 B6R1.2 C1COC[C@@H]1N LS30001 [0,1,0,1,0,0|0,0,2]=4 120 B6R1.2 C1COC[C@@H]1O LS30063 [0,1,0,1,0,0|0,0,2]=4 121 B6R1.2 C1COC[C@H]1O LS30020 [0,1,0,1,0,0|0,0,2]=4 122 B6R1.2 C1COC[C@H]1O LS30064 [0,1,0,1,0,0|0,0,2]=4 123 B6R1.2 C1CSCC1=O LS40268 [0,1,0,1,0,0|0,0,0]=2 124 B6R1.2 CC1=NCCC1 LS20850 [0,1,0,1,0,0|1,0,0]=3 125 B6R1.3 COC[C@@H]1CO1 LS30113 [0,1,0,1,0,0|0,0,2]=4 126 B6R1.11 B(C1CC1)(O)O LS00024 [0,1,0,1,0,0|1,0,1]=4 127 B6R1.11 C1CC1C(=O)Cl LS40512 [0,1,0,1,0,0|0,0,0]=2 128 B6R1.11 C1CC1C(=O)N LS40035 [0,1,0,1,0,0|0,0,0]=2 129 B6R1.11 C1CC1C(=O)O LS41647 [0,1,0,1,0,0|0,0,0]=2 130 B6R1.1 C1CCNCC1 LS20630 [0,1,0,1,0,0|1,0,1]=4 131 B6R1.1 C1CSCCN1 LS20061 [0,1,0,1,0,0|0,1,1]=4 132 B6R1.6 C1CC(C1)CBr LS40121 [0,1,0,1,0,0|1,0,1]=4 133 B6R1.6 C1CC(C1)CN LS40614 [0,1,0,1,0,0|1,0,1]=4 134 B6R1.6 C1CC(C1)CN LS40654 [0,1,0,1,0,0|1,0,1]=4 135 B6R1.6 C1CC(C1)CO LS41574 [0,1,0,1,0,0|0,0,2]=4 136 B6R1.7 C#CC1(CC1)N LS41861 [0,1,0,1,0,0|1,0,1]=4 137 B6R1.7 C1CC1(C#N)N LS40060 [0,1,0,1,0,0|1,0,1]=4