0 B7R1.3 C1CC(=O)CNC1 LS20136 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.3 C1CC(=O)CNC1 LS20876 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.3 C1CC(CNC1)O LS20687 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 C1CCN(CC1)N LS20693 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 C1CCN(CC1)N LS20694 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 C1CCS(=O)CC1 LS40520 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 C1CNC(=O)CN1 LS20789 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.3 C1CNCCC1Br LS20253 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 C1CNCCC1N LS20678 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 C1CNCCC1N LS20903 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 C1CNCCC1O LS20318 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 C1COC(=O)CO1 LS40469 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.3 C1COCC(=O)N1 LS20467 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.3 C1COCCC1=O LS40242 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.3 C1CSCCC1=O LS40396 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.3 C1C[C@@H](CNC1)N LS30004 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 C1C[C@H](CNC1)N LS30290 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 CC1CCCCN1 LS21158 [0,0,0,0,0,0|0,0,0]=0 18 B7R1.3 CN1CCNCC1 LS20947 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 C[C@@H]1CNCCN1 LS30176 [0,0,0,0,0,0|1,0,0]=1 20 B7R1.3 C[C@@H]1CNCCO1 LS30015 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 C[C@@H]1COCCN1 LS30002 [0,0,0,0,0,0|1,0,0]=1 22 B7R1.3 C[C@@H]1COCCN1 LS30011 [0,0,0,0,0,0|1,0,0]=1 23 B7R1.3 C[C@H]1CNCCN1 LS30177 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.3 C[C@H]1CNCCO1 LS30016 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.3 C[C@H]1COCCN1 LS30012 [0,0,0,0,0,0|1,0,0]=1 26 B7R1.3 C[C@H]1COCCN1 LS30156 [0,0,0,0,0,0|1,0,0]=1 27 B6R1.1 C1CCNCC1 LS20630 [1,0,0,0,0,0|0,0,0]=1 28 B6R1.1 C1CSCCN1 LS20061 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.2 C1CCC(CC1)C=O LS40273 [0,1,0,0,0,0|1,0,1]=3 30 B8R1.2 C1CCC(CC1)CN LS40038 [0,1,0,0,0,0|1,0,0]=2 31 B8R1.2 C1CCN(CC1)C=O LS20491 [0,1,0,0,0,0|2,0,1]=4 32 B8R1.2 C1CCOC(C1)CO LS20884 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.2 C1CNCCC1CN LS21222 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.2 C1COC[C@@H](N1)CO LS00103 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.2 C1COC[C@H](N1)CO LS00102 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.2 C1CO[C@@H](CN1)CO LS30134 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.2 CCN1CCNCC1 LS20285 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.2 CC[C@@H]1COCCN1 LS30017 [0,1,0,0,0,0|1,0,0]=2 39 B8R1.2 CC[C@H]1COCCN1 LS30018 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.2 CNC1CCCNC1 LS20138 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.2 CSC1CCNCC1 LS20119 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N LS30035 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.3 C1[C@@H](CC[C@H](C1)O)O LS30275 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.3 CN1CCC(CC1)N LS20683 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.3 CN1CCC(CC1)O LS40375 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.3 CN1CCN(CC1)N LS20698 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.4 C1CC(CC(C1)O)N LS40220 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.4 C1CNC(=O)CC1N LS20121 [0,1,0,0,0,0|1,0,1]=3 50 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.5 C1CC[C@@H]([C@H](C1)N)N LS30194 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30024 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30123 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.5 C1CC[C@H]([C@@H](C1)N)N LS30059 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.5 C1CC[C@H]([C@H](C1)N)O LS30029 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.72 C1CNCCC1(F)F LS20131 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.72 C1CNCCC1(F)F LS20132 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.72 C1CNCCC1(O)O LS20793 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.72 CC1(CCNCC1)O LS20682 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.72 CC1(CCNCC1)O LS20905 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.72 C[N+]1(CCCCC1)C LS40575 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.4 B(CCCC)(O)O LS11153 [0,0,1,0,0,0|3,0,0]=4 63 B6R0.6 C(CBr)NCCBr LS41604 [0,0,1,0,0,0|3,0,0]=4 64 B6R0.6 C(CCF)CCF LS40666 [0,0,1,0,0,0|2,0,0]=3 65 B6R0.6 C(CCO)CCF LS40658 [0,0,1,0,0,0|2,0,0]=3 66 B6R0.6 C(CCl)NCCCl LS40789 [0,0,1,0,0,0|3,0,0]=4 67 B6R0.6 C=CCCCCO LS40909 [0,0,1,0,0,0|1,0,2]=4 68 B6R0.6 COCCCCCl LS00136 [0,0,1,0,0,0|2,0,0]=3 69 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,0,1,0|2,0,1]=4 70 B6R1.2 C1CNCC1=O LS20898 [0,0,0,0,1,0|2,0,1]=4 71 B6R1.2 C1CNCC1N LS20700 [0,0,0,0,1,0|2,0,0]=3 72 B6R1.2 C1CNC[C@@H]1O LS30060 [0,0,0,0,1,0|2,0,0]=3 73 B6R1.2 C1CNC[C@@H]1O LS30061 [0,0,0,0,1,0|2,0,0]=3 74 B6R1.2 C1CNC[C@H]1N LS30070 [0,0,0,0,1,0|2,0,0]=3 75 B6R1.2 C1COCC1=O LS21051 [0,0,0,0,1,0|2,0,1]=4 76 B6R1.2 C1COCC1O LS21045 [0,0,0,0,1,0|2,0,0]=3 77 B6R1.2 C1COC[C@@H]1N LS30001 [0,0,0,0,1,0|2,0,0]=3 78 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,0,1,0|2,0,0]=3 79 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,0,1,0|2,0,0]=3 80 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,0,1,0|2,0,0]=3 81 B6R1.2 C1CSCC1=O LS40268 [0,0,0,0,1,0|2,0,1]=4 82 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,0,1,0|0,0,2]=3 83 B5R0.1 CC(CCO)N LS41893 [1,0,1,0,0,0|1,0,0]=3 84 B5R0.1 CCC[C@@H](C)O LS30259 [1,0,1,0,0,0|1,0,0]=3 85 B5R0.1 CCC[C@H](C)O LS30258 [1,0,1,0,0,0|1,0,0]=3 86 B5R0.1 CN(C)CCCl LS41162 [1,0,1,0,0,0|2,0,0]=4 87 B5R0.1 C[C@@H](CCO)N LS30207 [1,0,1,0,0,0|1,0,0]=3 88 B5R0.1 C[C@H](CCO)N LS30127 [1,0,1,0,0,0|1,0,0]=3 89 B5R0.2 C(CCBr)CBr LS40910 [1,0,1,0,0,0|2,0,0]=4 90 B5R0.2 C(CCF)CF LS40665 [1,0,1,0,0,0|2,0,0]=4 91 B5R0.2 C(CCF)CO LS40657 [1,0,1,0,0,0|2,0,0]=4 92 B5R0.2 COCCCBr LS40222 [1,0,1,0,0,0|2,0,0]=4 93 B5R0.3 CCC(CO)N LS40333 [1,0,1,0,0,0|2,0,0]=4 94 B5R0.3 CC[C@@H](CO)O LS30248 [1,0,1,0,0,0|2,0,0]=4 95 B5R0.3 CC[C@H](CO)O LS30249 [1,0,1,0,0,0|2,0,0]=4 96 B7R0.2 CCC(C)CC(C)N LS41471 [0,1,1,0,0,0|1,0,0]=3 97 B7R0.12 COCC(OC)OC LS40169 [0,1,1,0,0,0|2,0,0]=4 98 B7R0.6 CC(C)CCC(C)N LS41494 [0,1,1,0,0,0|0,0,0]=2 99 B7R0.1 C#CCCCCCO LS40112 [0,1,1,0,0,0|1,0,1]=4 100 B7R0.1 C(CCCF)CCF LS40667 [0,1,1,0,0,0|1,0,0]=3 101 B7R0.1 C(CCCF)CCO LS40659 [0,1,1,0,0,0|1,0,0]=3 102 B7R0.1 C(CCCO)CCN LS40173 [0,1,1,0,0,0|0,0,0]=2 103 B7R0.1 C(CCCS)CCO LS40174 [0,1,1,0,0,0|1,0,0]=3 104 B7R0.1 C=CCCCCCCl LS40295 [0,1,1,0,0,0|1,0,1]=4 105 B7R1.1 C1C=CCC1CO LS40472 [0,1,0,0,1,0|0,0,2]=4 106 B7R1.1 C1CCC(C1)C=O LS41696 [0,1,0,0,1,0|0,0,1]=3 107 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,1,0,0,1,0|1,0,0]=3 108 B7R1.1 C1CNC[C@H]1CO LS30146 [0,1,0,0,1,0|1,0,0]=3 109 B7R1.1 C1C[C@@H](OC1)CN LS30245 [0,1,0,0,1,0|1,0,0]=3 110 B7R1.1 C1C[C@H](OC1)CN LS30244 [0,1,0,0,1,0|1,0,0]=3 111 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,1,0,0,1,0|1,0,1]=4 112 B9R1.49 CN1CCCC(=O)CC1 LS40279 [0,1,0,0,0,1|2,0,0]=4 113 B9R1.1 CCN1CCC(CC1)O LS20906 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.1 COC1CCC(=O)CC1 LS40609 [0,2,0,0,0,0|1,0,1]=4 115 B9R1.6 B(C1CCCCC1)(O)O LS11159 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.6 C1CCNC(C1)C(=O)O LS20780 [0,2,0,0,0,0|0,0,1]=3 117 B9R1.6 C1CCN[C@@H](C1)C(=O)O LS30195 [0,2,0,0,0,0|0,0,1]=3 118 B9R1.6 CC(C)[C@@H]1COCCN1 LS30008 [0,2,0,0,0,0|1,0,0]=3 119 B9R1.8 C1CCNC(C1)CCO LS21152 [0,2,0,0,0,0|0,0,0]=2 120 B9R1.69 CC1CN(CCC1=O)C LS40400 [0,2,0,0,0,0|2,0,0]=4 121 B9R1.66 CC1(CC(=O)CCO1)C LS20174 [0,2,0,0,0,0|1,0,1]=4 122 B7R1.24 C1CNCCNC1 LS40494 [0,0,1,1,0,0|1,0,0]=3 123 B5R1.1 C1C=CCN1 LS20566 [1,0,0,0,1,0|0,0,2]=4 124 B5R1.2 C1C(CN1)O LS40392 [0,0,0,0,2,0|2,0,0]=4 125 B5R1.2 C1C(CO1)I LS41126 [0,0,0,0,2,0|2,0,0]=4 126 B5R1.2 C1CC(=O)C1 LS40231 [0,0,0,0,2,0|1,0,1]=4