0 B11R1.16 CC(CCN)C1=CC=CC=C1 SY035468 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.16 CCCC(=O)C1=CC=CC=N1 SY005363 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.16 CCCC(N)C1=CC=NC=C1 SY014555 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.16 CCCC(N)C1=CN=CC=C1 SY014556 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.16 CCCC(N)C1=NC=CC=C1 SY014554 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.16 CCOC(=N)C1=CC=CC=C1 SY060984 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.16 CCO[PH](=O)C1=CC=CC=C1 SY257193 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.16 CN(CCI)C1=CC=CC=C1 SY268256 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.16 CNNC(=O)C1=CC=CC=C1 SY294316 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 SY025161 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.16 COC[C@H](N)C1=CC=CC=C1 SY039587 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.16 ClCCC(Br)C1=CC=CC=C1 SY027094 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.16 N#CCC(=O)C1=CC=CC=C1 SY011838 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.16 NC(CCO)C1=CC=CC=C1 SY013381 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.16 NCCC(=O)C1=CC=CC=C1 SY263195 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 SY033781 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 SY002040 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.16 O=C(CCCl)C1=CC=CC=C1 SY004650 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.16 OC(CCCl)C1=CC=CC=C1 SY021671 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.16 OCCC(O)C1=CC=CC=C1 SY271569 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 SY129671 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 SY021625 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 SY021621 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.15 C#CC(O)C1=CC=CC=C1 SY008627 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 SY008626 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 SY008625 [1,0,0,0,0,0|1,0,2]=4 26 B10R1.15 CC(C=O)C1=CC=CC=C1 SY049214 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.15 CCC(=O)C1=CC=CC=N1 SY005362 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.15 CCC(N)C1=CC=CN=C1 SY014378 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.15 CCC(N)C1=CC=CN=C1 SY023048 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.15 CCC(N)C1=CC=NC=C1 SY011556 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.15 CCC(N)C1=NC=CC=C1 SY014377 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.15 CCC(O)C1=CC=CC=C1 SY020321 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.15 CCN(C)C1=CC=CC=C1 SY032004 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.15 CN(N=O)C1=CC=CC=C1 SY052228 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.15 CNC(=O)C1=CC=CC=C1 SY037937 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.15 COS(=O)C1=CC=CC=C1 SY050665 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 SY017826 [1,0,0,0,0,0|0,0,0]=1 38 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 SY036236 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.15 C[C@H](CO)C1=CC=CC=C1 SY036226 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.15 C\C(=N\O)C1=CC=CC=C1 SY057978 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.15 NC(CF)C1=CC=CC=C1 SY045869 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.15 NC(CO)C1=CC=CC=C1 SY002083 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.15 NC(CO)C1=CC=CC=N1 SY007452 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.15 NC(CO)C1=CC=NC=C1 SY007453 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.15 NCC(=O)C1=CC=CC=C1 SY007242 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.15 NCC(O)C1=CC=CC=C1 SY042533 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 SY013940 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SY009089 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 SY045870 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 SY003526 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.15 N[C@H](CF)C1=CC=CC=C1 SY045868 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SY001952 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.15 O=C(CO)C1=CC=CC=C1 SY014756 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.15 O=CC(Br)C1=CC=CC=C1 SY277929 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 SY017542 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.15 OC[C@H](O)C1=CC=CC=C1 SY017543 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SY101214 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.17 C#CCNC1=CC=CC=C1 SY299987 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.17 C#CCOC1=CC=CC=C1 SY048247 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.17 C=COCC1=CC=CC=C1 SY097145 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.17 CCC#CC1=CC=CC=C1 SY049474 [1,0,0,0,0,0|1,0,2]=4 64 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [1,0,0,0,0,0|2,0,0]=3 65 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.17 CCNCC1=CC=CN=C1 SY005910 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.17 CCNCC1=CC=NC=C1 SY009304 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.17 CCNCC1=NC=CC=C1 SY005911 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [1,0,0,0,0,0|0,0,0]=1 70 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [1,0,0,0,0,0|2,0,0]=3 74 B10R1.17 ICCCC1=CC=CN=C1 SY250698 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.17 N#CCOC1=CC=CC=C1 SY005439 [1,0,0,0,0,0|3,0,0]=4 76 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.17 NCCCC1=CC=CN=C1 SY022422 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.17 NCCCC1=CC=NC=C1 SY022421 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.17 NCCCC1=NC=CC=C1 SY022423 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [1,0,0,0,0,0|1,0,0]=2 83 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.17 OCCCC1=NC=CC=C1 SY023125 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 SY103943 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 SY018273 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 SY232219 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 SY008896 [0,1,0,0,0,0|1,0,0]=2 93 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 SY015933 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 SY015092 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 SY015503 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 SY015726 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.17 OCCC(O)C1=CC=CC(Cl)=C1 SY265044 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 SY254038 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SY013718 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.30 CNCCC(O)C1=CC=CC=C1 SY050893 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.34 CC(C(=O)NN)C1=CC=CC=C1 SY263061 [0,1,0,0,0,0|1,0,1]=3 102 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 SY040748 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SY113594 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 SY003754 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 SY020988 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 SY003762 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 SY017161 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 SY037173 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.39 C#CCC(C)(O)C1=CC=CC=C1 SY047143 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.39 C#CCC(C)(O)C1=CC=CN=C1 SY045520 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.39 C#CCC(C)(O)C1=CC=NC=C1 SY047145 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.39 C#CCC(C)(O)C1=NC=CC=C1 SY045521 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SY011141 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SY007036 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 SY014559 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.107 CC(C)CC(N)C1=CC=NC=C1 SY014558 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 SY014557 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.107 CC(CC(N)=O)C1=CC=CC=C1 SY249488 [0,1,0,0,0,0|2,0,0]=3 119 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 SY231348 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SY226436 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SY002485 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SY017494 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 SY014163 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SY017555 [0,1,0,0,0,0|3,0,0]=4 125 B12R2.2 C1=CC(C2CCCN2)=CC=N1 SY005586 [0,0,0,1,0,0|3,0,0]=4 126 B12R2.2 C1=CC(N2CCCC2)=CC=N1 SY005200 [0,0,0,1,0,0|3,0,0]=4 127 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SY063719 [0,0,0,1,0,0|2,0,0]=3 128 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SY023454 [0,0,0,1,0,0|0,0,0]=1 129 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SY060796 [0,0,0,1,0,0|2,0,0]=3 130 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 SY247998 [0,0,0,1,0,0|2,0,0]=3 131 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY023849 [0,0,0,1,0,0|0,0,0]=1 132 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY245835 [0,0,0,1,0,0|0,0,0]=1 133 B12R2.2 C1=CN=CC(C2CCCN2)=C1 SY023448 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [0,0,0,1,0,0|2,0,0]=3 135 B12R2.27 CNC1CC1C2=CC=CC=C2 SY262087 [0,0,0,1,0,0|0,0,0]=1 136 B12R2.116 CC1(C2=NC=CC=C2)CNC1 SY291104 [0,0,0,1,0,0|1,0,0]=2 137 B12R2.116 NC1(C2=CC=CC=C2)CCC1 SY006040 [0,0,0,1,0,0|2,0,0]=3 138 B12R2.116 NC1(C2=CC=CC=C2)CCC1 SY007956 [0,0,0,1,0,0|2,0,0]=3 139 B12R2.116 OC1(C2=NC=CC=C2)CNC1 SY237894 [0,0,0,1,0,0|2,0,0]=3 140 B12R2.1081 CC1NCCC2=C1C=CC=C2 SY027949 [0,0,0,1,0,0|2,0,0]=3 141 B12R2.1081 CN1CCNC2=C1C=CC=C2 SY022100 [0,0,0,1,0,0|3,0,0]=4 142 B12R2.1081 NC1CCCC2=C1C=CC=C2 SY004141 [0,0,0,1,0,0|2,0,0]=3 143 B12R2.1081 NC1CCCC2=C1C=CC=N2 SY111274 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.1081 NC1CCCC2=C1N=CC=C2 SY006173 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.1081 NC1CCOC2=C1C=CC=C2 SY009356 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 SY045443 [0,0,0,1,0,0|2,0,0]=3 147 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 SY030240 [0,0,0,1,0,0|3,0,0]=4 148 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 SY239976 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 SY001972 [0,0,0,1,0,0|2,0,0]=3 150 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 SY020601 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SY001538 [0,0,0,1,0,0|2,0,1]=4 152 B12R2.1081 O=C1COCC2=C1C=CC=C2 SY030590 [0,0,0,1,0,0|2,0,1]=4 153 B12R2.1081 OC1CCCC2=C1N=CC=C2 SY004995 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.1081 OC1CCCC2=C1N=CC=C2 SY006174 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.1081 OC1CCCC2=CC=CC=C21 SY009329 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.1081 OC1CCOC2=C1C=CC=C2 SY027475 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 SY104799 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.2028 CC1OB(O)C2=CC=CC=C21 SY274016 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 SY037066 [0,0,0,1,0,0|2,0,1]=4 160 B12R2.2028 O=C1CC(Br)C2=C1C=CC=C2 SY031995 [0,0,0,1,0,0|3,0,0]=4 161 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 SY030000 [0,0,0,1,0,0|2,0,0]=3 162 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 SY042927 [0,0,0,1,0,0|2,0,0]=3 163 B12R2.2075 NC(C1=CC=CC=N1)C2CC2 SY263126 [0,0,0,1,0,0|3,0,0]=4 164 B12R2.2075 NC(C1=CC=NC=C1)C2CC2 SY014561 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.2075 NC(C1=CN=CC=C1)C2CC2 SY014562 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.2075 NC(C1=NC=CC=C1)C2CC2 SY014560 [0,0,0,1,0,0|3,0,0]=4 167 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 SY049565 [0,0,0,1,0,0|2,0,1]=4 168 B12R2.2075 OC(C1=CC=CN=C1)C2CC2 SY017195 [0,0,0,1,0,0|3,0,0]=4 169 B12R2.2075 OC(C1=CC=NC=C1)C2CC2 SY038709 [0,0,0,1,0,0|3,0,0]=4 170 B12R1.32 C#CCN(C)CC1=CC=CC=C1 SY005867 [0,0,0,0,0,1|2,0,1]=4 171 B12R1.32 CN(CCCl)CC1=CC=CC=C1 SY011648 [0,0,0,0,0,1|3,0,0]=4 172 B12R1.32 CN(CCO)CC1=CC=CC=C1 SY025492 [0,0,0,0,0,1|3,0,0]=4 173 B12R1.32 COCC(=O)OC1=CC=CC=C1 SY261726 [0,0,0,0,0,1|2,0,1]=4 174 B9R1.6 CC(C)C1=CC=CCC1 SY292102 [2,0,0,0,0,0|0,0,2]=4 175 B9R1.6 CC(C)C1=CCCC=C1 SY292103 [2,0,0,0,0,0|0,0,2]=4 176 B9R1.6 CC(N)C1=CC=CN=C1 SY005518 [2,0,0,0,0,0|1,0,0]=3 177 B9R1.6 CC(N)C1=CC=NC=C1 SY005514 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.6 CC(N)C1=CC=NN=C1 SY245175 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.6 CC(N)C1=NC=CC=C1 SY005425 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.6 CC(N)C1=NC=CC=C1 SY023696 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.6 CC(N)C1=NC=CC=N1 SY270479 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.6 CC(N)C1=NC=CN=C1 SY107192 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.6 CC(O)C1=CC=CN=C1 SY006085 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.6 CC(O)C1=CC=NC=C1 SY006084 [2,0,0,0,0,0|2,0,0]=4 185 B9R1.6 CC(O)C1=NC=CC=C1 SY004070 [2,0,0,0,0,0|2,0,0]=4 186 B9R1.6 C[C@@H](N)C1=CC=CN=C1 SY105422 [2,0,0,0,0,0|1,0,0]=3 187 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY011547 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.6 C[C@@H](N)C1=CC=NC=C1 SY253760 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.6 C[C@@H](N)C1=NC=CC=C1 SY016895 [2,0,0,0,0,0|1,0,0]=3 190 B9R1.6 C[C@@H](N)C1=NC=CC=N1 SY310791 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.6 C[C@@H](O)C1=CC=CC=C1 SY007833 [2,0,0,0,0,0|1,0,0]=3 192 B9R1.6 C[C@@H](O)C1=CN=CC=C1 SY008212 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.6 C[C@@H](O)C1=NC=CC=C1 SY009224 [2,0,0,0,0,0|2,0,0]=4 194 B9R1.6 C[C@H](N)C1=CC=CN=C1 SY033903 [2,0,0,0,0,0|1,0,0]=3 195 B9R1.6 C[C@H](N)C1=CC=NC=C1 SY011546 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.6 C[C@H](N)C1=NC=CC=C1 SY010698 [2,0,0,0,0,0|1,0,0]=3 197 B9R1.6 C[C@H](O)C1=CN=CC=C1 SY008211 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.6 FC(F)C1=CC=CC=C1 SY024386 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.6 N=C(N)C1=CC=CC=C1 SY018319 [2,0,0,0,0,0|1,0,1]=4 200 B9R1.6 N=C(N)C1=CC=CC=C1 SY035738 [2,0,0,0,0,0|1,0,1]=4 201 B9R1.6 NC(=O)C1=CC=CC=C1 SY047098 [2,0,0,0,0,0|1,0,1]=4 202 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.8 CC#CC1=CC=CC=C1 SY048557 [2,0,0,0,0,0|0,0,2]=4 204 B9R1.8 CCCC1=CC=CCC1 SY292099 [2,0,0,0,0,0|0,0,2]=4 205 B9R1.8 CCCC1=NC=CC=C1 SY035538 [2,0,0,0,0,0|1,0,0]=3 206 B9R1.8 CNCC1=CC=CN=C1 SY002368 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.8 CNCC1=CC=NC=C1 SY002386 [2,0,0,0,0,0|1,0,0]=3 208 B9R1.8 CNCC1=NC=CC=C1 SY003781 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.8 COCC1=CC=CC=C1 SY049310 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.8 NCCC1=CC=CN=C1 SY003234 [2,0,0,0,0,0|1,0,0]=3 211 B9R1.8 NNCC1=CC=CC=C1 SY004756 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.8 NNCC1=CC=CC=C1 SY004764 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.8 NNCC1=NC=CC=C1 SY042125 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.8 NOCC1=CC=CC=C1 SY005671 [2,0,0,0,0,0|1,0,0]=3 215 B9R1.8 NOCC1=CC=CC=C1 SY018100 [2,0,0,0,0,0|1,0,0]=3 216 B9R1.8 NOCC1=CC=CN=C1 SY029692 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.8 NOCC1=CC=CN=C1 SY281597 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.8 NOCC1=CC=NC=C1 SY281602 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.8 NOCC1=CC=NC=C1 SY281603 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.8 NOCC1=NC=CC=C1 SY281576 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.8 NOCC1=NC=CC=C1 SY281577 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.8 OCCC1=CC=CN=C1 SY004170 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.8 OCCC1=CC=NC=C1 SY001138 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.8 ONCC1=CC=CC=C1 SY019534 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.8 ONCC1=CC=CC=C1 SY024088 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.8 SCCC1=CC=CC=C1 SY039368 [2,0,0,0,0,0|1,0,0]=3 227 B11R1.7 C#CC(C)(O)C1=CC=CC=C1 SY015926 [1,1,0,0,0,0|0,0,2]=4 228 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 SY001232 [1,1,0,0,0,0|0,0,2]=4 229 B11R1.7 CC(C)(CO)C1=CC=CC=C1 SY036229 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.7 CC(N)(C#N)C1=CC=CC=C1 SY039093 [1,1,0,0,0,0|0,0,2]=4 231 B11R1.7 CC(N)(CO)C1=CC=CC=C1 SY034658 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.7 CC(N)(CO)C1=CC=CC=C1 SY159712 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.7 COP(C)(=O)C1=CC=CC=C1 SY300619 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.7 CO[Si](C)(C)C1=CC=CC=C1 SY043367 [1,1,0,0,0,0|1,1,0]=4 235 B11R1.7 NCC(F)(F)C1=CC=CC=C1 SY026016 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.12 C1=CC=C(N(CC)CC)C=C1 SY246295 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.12 CCB(CC)C1=CC=CN=C1 SY006709 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.12 CO[C@H](CN)C1=CC=CC=C1 SY286579 [1,1,0,0,0,0|0,0,0]=2 239 B11R1.12 OCC(CO)C1=CC=CC=C1 SY020513 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 SY001608 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.22 CCC(=O)C1=CC=C(C)C=C1 SY049111 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 SY002144 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 SY003666 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 SY020021 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 SY005511 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.22 CNC(=S)C1=CC=C(Br)C=C1 SY262030 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.22 NC(CO)C1=CC=C(F)C=C1 SY047985 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 SY028321 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 SY039916 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 SY020165 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.22 NCC(O)C1=CC=C(O)C=C1 SY039785 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 SY121979 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 SY111431 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 SY212721 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.23 CCC(=O)C1=CC=CC(C)=C1 SY004012 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 SY018227 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 SY016989 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 SY047086 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.23 CNC(=O)C1=CC=CC(N)=C1 SY051152 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.23 NC(CO)C1=CC(Cl)=CC=C1 SY008094 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 SY019239 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.23 N[C@H](CO)C1=CC=CC(Cl)=C1 SY116141 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 SY120659 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.23 N[C@H](CO)C1=CC=CC(F)=C1 SY253690 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 SY031948 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 SY028287 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 SY053096 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 SY004963 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.36 CC(C)C(N)C1=CC=CN=C1 SY014380 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.36 CC(C)C(N)C1=CC=NC=C1 SY014381 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.36 CC(C)C(N)C1=NC=CC=C1 SY014379 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.36 CC(C)C(O)C1=CC=CN=C1 SY129322 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 SY048849 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 SY020842 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 SY021075 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 SY009237 [1,1,0,0,0,0|1,0,1]=4 277 B11R1.222 CC(C#N)C1=CC=CC=C1Cl SY035560 [1,1,0,0,0,0|0,0,2]=4 278 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 SY015244 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.222 CCC(=O)C1=CC=CC=C1Cl SY031881 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.222 CCC(=O)C1=CC=CC=C1F SY003995 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.222 CNC(=O)C1=CC=CC=C1Br SY025140 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.222 CNC(=O)C1=CC=CC=C1N SY005082 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.222 CNC(=O)C1=CC=CC=C1O SY034205 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034840 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.222 NCC(O)C1=CC=CC=C1Cl SY034841 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.222 OC[C@@H](O)C1=CC=CC=C1Cl SY033747 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.1 C=CCCC1=CC=C(O)C=C1 SY045828 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.1 CCCCC1=CC=C(Br)C=C1 SY013489 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.1 CCCCC1=CC=C(I)C=C1 SY029294 [1,1,0,0,0,0|1,0,0]=3 290 B11R1.1 CCCOC1=CC=C(O)C=C1 SY036399 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.1 CCNCC1=CC=C(Br)C=C1 SY002622 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.1 CCNCC1=CC=C(C)C=C1 SY045939 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SY002523 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.1 CCNCC1=CC=C(F)C=C1 SY002625 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.1 CCNCC1=CC=C(N)C=C1 SY003699 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.1 CCNCC1=CC=C(O)C=C1 SY018668 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.1 CNCCC1=CC=C(Cl)C=C1 SY002514 [1,1,0,0,0,0|0,0,0]=2 298 B11R1.1 COCOC1=CC=C(Br)C=C1 SY013180 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.1 FC1=CC=C(CCCI)C=C1 SY249460 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.1 NOCCC1=CC=C(Cl)C=C1 SY281852 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.1 NOCCC1=CC=C(Cl)C=C1 SY281853 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.1 NOCCC1=CC=C(F)C=C1 SY281706 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.1 NOCCC1=CC=C(F)C=C1 SY281707 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.1 OCCCC1=CC=C(Br)C=C1 SY008370 [1,1,0,0,0,0|2,0,0]=4 305 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SY062743 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.17 CCCOC1=C(N)C=CC=C1 SY023299 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.17 CCCOC1=CC=CC=C1N SY027786 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.17 CCNCC1=CC=CC=C1O SY018670 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.17 CNCCC1=CC=CC=C1F SY002937 [1,1,0,0,0,0|0,0,0]=2 310 B11R1.17 NCCCC1=CC=CC=C1Br SY030070 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.17 OCCCC1=CC=CC=C1Br SY021684 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.24 CCNCC1=CC=CC(Br)=C1 SY002525 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.24 CCNCC1=CC=CC(Cl)=C1 SY045903 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.24 CCNCC1=CC=CC(F)=C1 SY002642 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.24 CCNCC1=CC=CC(O)=C1 SY018672 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.24 CNCCC1=CC=CC(Cl)=C1 SY002516 [1,1,0,0,0,0|0,0,0]=2 317 B11R1.24 CNCCC1=CC=CC(F)=C1 SY002844 [1,1,0,0,0,0|0,0,0]=2 318 B11R1.24 COCOC1=CC(Br)=CC=C1 SY165520 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.24 COCOC1=CC=CC(Cl)=C1 SY224767 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.28 BrCCCCC1=CC=CC=C1 SY036816 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.28 BrCCCOC1=CC=CC=C1 SY020995 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.28 BrCCOCC1=CC=CC=C1 SY021677 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.28 C#CCOCC1=CC=CC=C1 SY025593 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.28 C=CCNCC1=CC=CC=C1 SY051146 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.28 C=CCOCC1=CC=CC=C1 SY052476 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.28 CCNCCC1=CC=CC=C1 SY248623 [1,1,0,0,0,0|0,0,0]=2 327 B11R1.28 ClCCCCC1=CC=NC=C1 SY226263 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.28 ClCCNCC1=CC=CC=C1 SY239742 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.28 ICCOCC1=CC=CC=C1 SY260861 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.28 N#CCOCC1=CC=CC=C1 SY129386 [1,1,0,0,0,0|2,0,0]=4 331 B11R1.28 NCCOCC1=CC=CC=C1 SY018893 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.28 NNCCOC1=CC=CC=C1 SY048090 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.28 NOCCCC1=CC=CC=C1 SY281833 [1,1,0,0,0,0|2,0,0]=4 334 B11R1.28 NOCCCC1=CC=CC=C1 SY281834 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.28 NOCCOC1=CC=CC=C1 SY006322 [1,1,0,0,0,0|2,0,0]=4 336 B11R1.28 O=CCCCC1=CC=CC=C1 SY236716 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.28 OCCCCC1=CC=CC=C1 SY015871 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.28 OCCCCC1=CC=CN=C1 SY022160 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.28 OCCCCC1=CC=NC=C1 SY008209 [1,1,0,0,0,0|2,0,0]=4 340 B11R1.28 OCCCCC1=CC=NC=C1 SY008241 [1,1,0,0,0,0|2,0,0]=4 341 B11R1.28 OCCCCC1=NC=CC=C1 SY022161 [1,1,0,0,0,0|2,0,0]=4 342 B11R1.28 OCCNCC1=CC=CC=C1 SY001172 [1,1,0,0,0,0|2,0,0]=4 343 B11R1.28 OCCOCC1=CC=CC=C1 SY015814 [1,1,0,0,0,0|2,0,0]=4 344 B11R1.40 NC(CF)CC1=CC=CC=C1 SY045874 [1,1,0,0,0,0|2,0,0]=4 345 B11R1.40 NC(CO)CC1=CC=CC=C1 SY030554 [1,1,0,0,0,0|2,0,0]=4 346 B11R1.40 NNC(=O)CC1=CC=CC=C1 SY032275 [1,1,0,0,0,0|1,0,1]=4 347 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SY013878 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 SY045873 [1,1,0,0,0,0|2,0,0]=4 349 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.91 CC(C)NCC1=CC=CC=C1 SY032809 [1,1,0,0,0,0|2,0,0]=4 351 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [1,1,0,0,0,0|2,0,0]=4 352 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SY043104 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.91 OB(O)CCC1=CC=CC=C1 SY014651 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.29 CNCC[C@H](O)C1=CC=CS1 SY010498 [0,1,0,0,1,0|2,0,0]=4 355 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 SY273281 [0,1,0,0,0,1|1,0,0]=3 356 B13R1.398 CCC[C@@H](N=C=O)C1=CC=CC=C1 SY291833 [0,2,0,0,0,0|1,0,1]=4 357 B13R1.405 CN(C)C(CCO)C1=CC=CC=C1 SY264773 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.532 COC(=O)C(CN)C1=CC=CC=C1 SY032343 [0,2,0,0,0,0|1,0,1]=4 359 B13R1.17 OC(CCCCl)C1=CC=C(Br)C=C1 SY237136 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.21 COC(=O)C(C)C1=CC=C(Br)C=C1 SY202075 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.21 COC(=O)[C@@H](C)C1=CC=C(O)C=C1 SY232324 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.21 COC(=O)[C@H](C)C1=CC=C(O)C=C1 SY233039 [0,2,0,0,0,0|1,0,1]=4 363 B13R1.29 C#CCC(C)(O)C1=CC=C(Br)C=C1 SY047133 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.29 C#CCC(C)(O)C1=CC=C(C)C=C1 SY047135 [0,2,0,0,0,0|1,0,1]=4 365 B13R1.29 C#CCC(C)(O)C1=CC=C(Cl)C=C1 SY047138 [0,2,0,0,0,0|1,0,1]=4 366 B13R1.29 C#CCC(C)(O)C1=CC=C(F)C=C1 SY047134 [0,2,0,0,0,0|1,0,1]=4 367 B13R1.30 C#CCC(C)(O)C1=CC=CC(Br)=C1 SY045519 [0,2,0,0,0,0|1,0,1]=4 368 B13R1.30 C#CCC(C)(O)C1=CC=CC(Cl)=C1 SY047136 [0,2,0,0,0,0|1,0,1]=4 369 B13R1.147 CC(CC(=O)O)C1=CC=CC(O)=C1 SY030737 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 SY027105 [0,2,0,0,0,0|1,0,1]=4 371 B13R1.24 C=CCCN[C@H](C)C1=CC=CC=C1 SY046454 [0,2,0,0,0,0|1,0,1]=4 372 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 SY004280 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 SY004279 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.708 COC(=O)C(C)(C)C1=CC=CC=C1 SY002717 [0,2,0,0,0,0|1,0,1]=4 375 B13R1.708 COC(=O)C(C)(N)C1=CC=CC=C1 SY036953 [0,2,0,0,0,0|1,0,1]=4 376 B13R1.708 COC(=O)C(C)(N)C1=CC=CC=C1 SY039079 [0,2,0,0,0,0|1,0,1]=4 377 B13R1.2819 C#CCC(C)(O)C1=CC=CC=C1C SY047141 [0,2,0,0,0,0|1,0,1]=4 378 B13R1.2819 C#CCC(C)(O)C1=CC=CC=C1Cl SY047139 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.2819 C#CCC(C)(O)C1=CC=CC=C1F SY047146 [0,2,0,0,0,0|1,0,1]=4 380 B11R2.1 C=C1CCC2=C1C=CC=C2 SY031740 [1,0,0,1,0,0|0,0,2]=4 381 B11R2.1 CC1=NNC2=C1C=CC=C2 SY015996 [1,0,0,1,0,0|1,0,1]=4 382 B11R2.1 CC1CCC2=NC=CN=C21 SY036943 [1,0,0,1,0,0|2,0,0]=4 383 B11R2.1 CC1CNC2=C1C=CC=C2 SY178552 [1,0,0,1,0,0|0,0,0]=2 384 B11R2.1 CN1CNC2=CC=CC=C21 SY289611 [1,0,0,1,0,0|1,0,0]=3 385 B11R2.1 NC1CCC2=C1C=CC=C2 SY004953 [1,0,0,1,0,0|1,0,0]=3 386 B11R2.1 NC1CCC2=CC=CC=C21 SY004234 [1,0,0,1,0,0|1,0,0]=3 387 B11R2.1 NC1COC2=CC=CC=C21 SY283285 [1,0,0,1,0,0|2,0,0]=4 388 B11R2.1 NN1CCC2=C1C=CC=C2 SY096651 [1,0,0,1,0,0|2,0,0]=4 389 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 SY030463 [1,0,0,1,0,0|1,0,0]=3 390 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SY028017 [1,0,0,1,0,0|1,0,0]=3 391 B11R2.1 O=C1CCC2=C1C=CC=C2 SY001380 [1,0,0,1,0,0|1,0,1]=4 392 B11R2.1 O=C1NCC2=C1C=CC=C2 SY020116 [1,0,0,1,0,0|1,0,1]=4 393 B11R2.1 OC1CCC2=C1C=CC=C2 SY014889 [1,0,0,1,0,0|1,0,0]=3 394 B11R2.1 OC1CCC2=C1N=CC=C2 SY017306 [1,0,0,1,0,0|2,0,0]=4 395 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 SY275070 [1,0,0,1,0,0|1,0,0]=3 396 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 SY277942 [1,0,0,1,0,0|0,0,0]=2 397 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SY037504 [1,0,0,1,0,0|0,0,0]=2 398 B11R2.40 NC1(C2=CC=CC=C2)CC1 SY002295 [1,0,0,1,0,0|1,0,0]=3 399 B11R2.40 NC1(C2=CC=CC=C2)CC1 SY002397 [1,0,0,1,0,0|1,0,0]=3 400 B11R2.40 NC1(C2=CC=CC=N2)CC1 SY012362 [1,0,0,1,0,0|2,0,0]=4 401 B11R2.40 NC1(C2=CC=NC=C2)CC1 SY248660 [1,0,0,1,0,0|2,0,0]=4 402 B11R2.40 NC1(C2=NC=CC=C2)CC1 SY010720 [1,0,0,1,0,0|2,0,0]=4 403 B11R2.40 OC1(C2=NC=CC=C2)CC1 SY262670 [1,0,0,1,0,0|2,0,0]=4 404 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267170 [1,0,0,1,0,0|1,0,0]=3 405 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267171 [1,0,0,1,0,0|1,0,0]=3 406 B11R2.239 C1=CC=C(C2CNC2)C=C1 SY059527 [1,0,0,1,0,0|0,0,0]=2 407 B11R2.239 C1=CN=C(C2CNC2)C=C1 SY267180 [1,0,0,1,0,0|1,0,0]=3 408 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267167 [1,0,0,1,0,0|1,0,0]=3 409 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267168 [1,0,0,1,0,0|1,0,0]=3 410 B11R2.20 C1=CC2=C(C=C1)CCC=C2 SY050004 [1,0,0,1,0,0|1,0,1]=4 411 B11R2.20 C1=CC2=C(C=C1)CCN=C2 SY025255 [1,0,0,1,0,0|0,0,2]=4 412 B11R2.20 C1=CC2=C(C=C1)CNCC2 SY001156 [1,0,0,1,0,0|0,0,0]=2 413 B11R2.20 C1=CC2=C(C=C1)CNNC2 SY022231 [1,0,0,1,0,0|1,0,0]=3 414 B11R2.20 C1=CC2=C(C=C1)COCC2 SY018228 [1,0,0,1,0,0|1,0,0]=3 415 B11R2.20 C1=CC2=C(C=C1)CSCC2 SY286030 [1,0,0,1,0,0|1,0,0]=3 416 B11R2.20 C1=CC2=C(C=C1)NCCC2 SY001847 [1,0,0,1,0,0|2,0,0]=4 417 B11R2.20 C1=CC2=C(C=C1)OCCC2 SY174231 [1,0,0,1,0,0|2,0,0]=4 418 B11R2.20 C1=CC2=C(CCCC2)N=C1 SY004991 [1,0,0,1,0,0|2,0,0]=4 419 B11R2.20 C1=CC2=C(CCNC2)N=C1 SY022463 [1,0,0,1,0,0|1,0,0]=3 420 B11R2.20 C1=CC2=C(CNCC2)N=C1 SY114285 [1,0,0,1,0,0|1,0,0]=3 421 B11R2.20 C1=CN=C2CCNCC2=C1 SY022124 [1,0,0,1,0,0|1,0,0]=3 422 B11R2.20 C1=NC=C2CNCCC2=C1 SY102429 [1,0,0,1,0,0|1,0,0]=3 423 B11R2.20 C1=NC=C2CNCCC2=N1 SY025899 [1,0,0,1,0,0|2,0,0]=4 424 B11R2.238 C1=CC=C(NC2CC2)C=C1 SY207735 [1,0,0,1,0,0|2,0,0]=4 425 B11R2.2 C1=NC(C2CCNC2)=CS1 SY268221 [0,0,0,1,1,0|2,0,0]=4 426 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 SY128694 [0,0,0,1,0,1|0,0,0]=2 427 B13R2.3 C1=CC(C2CCNCC2)=CC=N1 SY057157 [0,1,0,1,0,0|1,0,0]=3 428 B13R2.3 C1=CC(N2CCNCC2)=CC=N1 SY002313 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 SY048999 [0,1,0,1,0,0|1,0,1]=4 430 B13R2.3 C1=CC=C(C2CCCCN2)C=C1 SY022716 [0,1,0,1,0,0|1,0,0]=3 431 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 SY005151 [0,1,0,1,0,0|0,0,0]=2 432 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 SY018079 [0,1,0,1,0,0|0,0,0]=2 433 B13R2.3 C1=CC=C(C2SCCCS2)C=C1 SY235181 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.3 C1=CC=C(N2CCCCC2)C=C1 SY051417 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 SY003877 [0,1,0,1,0,0|2,0,0]=4 436 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 SY246296 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 SY240389 [0,1,0,1,0,0|0,0,0]=2 438 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 SY077207 [0,1,0,1,0,0|1,0,0]=3 439 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 SY262091 [0,1,0,1,0,0|0,0,0]=2 440 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 SY025491 [0,1,0,1,0,0|0,0,0]=2 441 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 SY069429 [0,1,0,1,0,0|1,0,0]=3 442 B13R2.3 C1=CN=C(N2CCNCC2)C=C1 SY012687 [0,1,0,1,0,0|2,0,0]=4 443 B13R2.3 C1=CN=CC(C2CCCCN2)=C1 SY062144 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.10 CC1COC(C2=CC=CC=C2)O1 SY035743 [0,1,0,1,0,0|2,0,0]=4 445 B13R2.10 NC1=NC(C2=CC=CC=C2)CC1 SY262882 [0,1,0,1,0,0|2,0,0]=4 446 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 SY031841 [0,1,0,1,0,0|0,0,1]=3 447 B13R2.1613 NCC1CCCC2=C1C=CC=C2 SY020543 [0,1,0,1,0,0|1,0,0]=3 448 B13R2.1613 NNC1CCCC2=C1C=CC=C2 SY265142 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.1613 O=C[C@@H]1CCCC2=C1C=CC=C2 SY270606 [0,1,0,1,0,0|1,0,1]=4 450 B13R2.1613 O=C[C@H]1CCCC2=C1C=CC=C2 SY270605 [0,1,0,1,0,0|1,0,1]=4 451 B13R2.1613 OC[C@@H]1CCCC2=C1C=CC=C2 SY270608 [0,1,0,1,0,0|1,0,0]=3 452 B13R2.1613 OC[C@H]1CCCC2=C1C=CC=C2 SY270607 [0,1,0,1,0,0|1,0,0]=3 453 B13R2.2539 N#CC1(C2=CC=CC=C2)CCC1 SY001230 [0,1,0,1,0,0|1,0,1]=4 454 B13R2.2539 NCC1(C2=CC=CC=C2)CCC1 SY168259 [0,1,0,1,0,0|1,0,0]=3 455 B13R2.2931 CN1N=C(CN)C2=C1C=CC=C2 SY034712 [0,1,0,1,0,0|1,0,1]=4 456 B13R2.2931 CN1N=C(CO)C2=C1C=CC=C2 SY064554 [0,1,0,1,0,0|1,0,1]=4 457 B13R2.12 BrC1=CC=C(C2CCCN2)C=C1 SY057720 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.12 BrC1=CC=C(C2CCCO2)C=C1 SY235856 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.12 BrC1=CC=C(N2CCCC2)C=C1 SY028682 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.12 NC1=CC=C(N2CCCC2)C=C1 SY015014 [0,1,0,1,0,0|2,0,0]=4 461 B13R2.42 OC[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 SY272505 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.147 NC1CC(C2=CC=C(Br)C=C2)C1 SY017013 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.147 N[C@H]1C[C@H](C2=CC=C(Br)C=C2)C1 SY162987 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 SY017720 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.147 OC1CC(C2=CC=C(Br)C=C2)C1 SY018394 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.520 NC(C1=CC=C(Cl)C=C1)C2CC2 SY029749 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.2986 CC1=CC=C(C2(N)CCC2)C=C1 SY213263 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.2986 CC1=CC=C(C2(N)CCC2)C=C1 SY225605 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 SY110193 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CCC1 SY180392 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CNC1 SY237465 [0,1,0,1,0,0|1,0,0]=3 472 B13R2.2986 NC1(C2=CC=C(Br)C=C2)CNC1 SY237466 [0,1,0,1,0,0|1,0,0]=3 473 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)CCC1 SY179169 [0,1,0,1,0,0|2,0,0]=4 474 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)CCC1 SY200035 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.2986 NC1(C2=CC=C(F)C=C2)CCC1 SY181447 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.2986 NC1(C2=CC=C(I)C=C2)CCC1 SY226744 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.2986 NC1=CC=C(C2(N)CCC2)C=C1 SY225550 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.2986 OC1(C2=CC=C(Br)C=C2)CCC1 SY024536 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.2986 OC1(C2=CC=C(Br)C=C2)COC1 SY098643 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.5179 NC1CCCC2=C1C=CC(Br)=C2 SY114651 [0,1,0,1,0,0|2,0,0]=4 481 B13R2.5179 NC1COCC2=CC(Br)=CC=C21 SY257848 [0,1,0,1,0,0|2,0,0]=4 482 B13R2.5179 OC1COCC2=C1C=CC(Br)=C2 SY300524 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.5187 CC1=NN(C)C2=C1C=CC(Br)=C2 SY097665 [0,1,0,1,0,0|1,0,1]=4 484 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 SY081244 [0,1,0,1,0,0|2,0,0]=4 485 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 SY008915 [0,1,0,1,0,0|2,0,0]=4 486 B13R2.13 FC1=CC([C@H]2CCCN2)=CC=C1 SY008576 [0,1,0,1,0,0|2,0,0]=4 487 B13R2.13 FC1=CC([C@H]2CCCN2)=CC=C1 SY008898 [0,1,0,1,0,0|2,0,0]=4 488 B13R2.13 NC1=CC=CC(N2CCCC2)=C1 SY028684 [0,1,0,1,0,0|2,0,0]=4 489 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 SY174507 [0,1,0,1,0,0|2,0,0]=4 490 B13R2.162 CC1CNCC2=C1C=C(Br)C=C2 SY262273 [0,1,0,1,0,0|0,0,0]=2 491 B13R2.162 CC1CNCC2=C1C=C(Cl)C=C2 SY262274 [0,1,0,1,0,0|0,0,0]=2 492 B13R2.162 CC1NCCC2=C1C=C(Br)C=C2 SY253755 [0,1,0,1,0,0|2,0,0]=4 493 B13R2.162 NC1=CC2=C(C=C1)CCCC2O SY006450 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.3018 NC1(C2=CC=CC(Br)=C2)CCC1 SY101808 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.3018 NC1(C2=CC=CC(Br)=C2)CCC1 SY174398 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)CCC1 SY073306 [0,1,0,1,0,0|2,0,0]=4 497 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)CCC1 SY118478 [0,1,0,1,0,0|2,0,0]=4 498 B13R2.3018 NC1(C2=CC=CC(F)=C2)CCC1 SY225887 [0,1,0,1,0,0|2,0,0]=4 499 B13R2.223 NC1(C2=CC=CC=C2)CCCC1 SY044957 [0,1,0,1,0,0|1,0,0]=3 500 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 SY061805 [0,1,0,1,0,0|1,0,1]=4 501 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 SY037547 [0,1,0,1,0,0|2,0,0]=4 502 B13R2.32 CC1CCC2=C(C=CC=C2)N1C SY280205 [0,1,0,1,0,0|2,0,0]=4 503 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 SY059152 [0,1,0,1,0,0|1,0,1]=4 504 B13R2.3085 CN1C(=O)N(C)C2=CC=CC=C21 SY045942 [0,1,0,1,0,0|1,0,1]=4 505 B13R2.12159 CC1(C)CC(=O)C2=C1C=CC=C2 SY053429 [0,1,0,1,0,0|2,0,0]=4 506 B13R2.12159 CC1(C)CC(O)C2=C1C=CC=C2 SY297314 [0,1,0,1,0,0|2,0,0]=4 507 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 SY056952 [0,1,0,1,0,0|2,0,0]=4 508 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY028926 [0,1,0,1,0,0|2,0,0]=4 509 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 SY260952 [0,1,0,1,0,0|2,0,0]=4 510 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SY152256 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.18 BrC1=CC=CC=C1C2CCNC2 SY258994 [0,1,0,1,0,0|0,0,0]=2 512 B13R2.18 BrC1=CC=CC=C1N2CCCC2 SY033680 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.18 ClC1=CC=CC=C1C2CCNC2 SY035246 [0,1,0,1,0,0|0,0,0]=2 514 B13R2.18 FC1=CC=CC=C1C2CCCN2 SY102416 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.18 NC1=CC=CC=C1C2CCCN2 SY246717 [0,1,0,1,0,0|2,0,0]=4 516 B13R2.216 O=C1CC(C2=CC=CC=C2Cl)C1 SY033757 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.216 OC1CC(C2=CC=CC=C2Cl)C1 SY033758 [0,1,0,1,0,0|2,0,0]=4 518 B13R2.3569 CC1=CC=CC=C1C2(N)CCC2 SY213493 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.3569 CC1=CC=CC=C1C2(N)CCC2 SY226683 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.3569 CC1=CC=CC=C1C2(O)CCC2 SY264720 [0,1,0,1,0,0|2,0,0]=4 521 B13R2.3569 NC1(C2=CC=CC=C2Br)CCC1 SY225683 [0,1,0,1,0,0|2,0,0]=4 522 B13R2.3569 NC1(C2=CC=CC=C2Cl)CCC1 SY225684 [0,1,0,1,0,0|2,0,0]=4 523 B13R2.3569 NC1(C2=CC=CC=C2F)CCC1 SY225682 [0,1,0,1,0,0|2,0,0]=4 524 B13R2.3569 NC1=CC=CC=C1C2(N)CCC2 SY225640 [0,1,0,1,0,0|2,0,0]=4 525 B13R2.3569 OC1(C2=CC=CC=C2F)COC1 SY284134 [0,1,0,1,0,0|2,0,0]=4 526 B13R2.4818 NC1CCCC2=CC=CC(O)=C21 SY272104 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.11 CC(CN)C1=CN=CS1 SY271543 [1,0,0,0,1,0|2,0,0]=4