0 B11R1.83 CCCC1=CC=C(NN)C=C1 1149AE [0,0,0,0,0,0|2,0,2]=4 1 B11R1.83 COC1=CC=C(CNO)C=C1 7133AB [0,0,0,0,0,0|2,0,0]=2 2 B11R1.83 COC1=NC=C(CCN)C=C1 1228AJ [0,0,0,0,0,0|2,0,1]=3 3 B11R1.83 COCC1=CC=C(CO)C=C1 8790AH [0,0,0,0,0,0|3,0,1]=4 4 B11R1.83 N#CC1=CC=C(CCCl)C=C1 4983AA [0,0,0,0,0,0|3,0,1]=4 5 B11R1.83 NCCC1=CC=C(CO)C=C1 9331AH [0,0,0,0,0,0|3,0,1]=4 6 B11R1.83 NCCC1=CC=C(CO)C=C1 9332AH [0,0,0,0,0,0|3,0,1]=4 7 B10R1.1 BrC1=CC=C(CCI)C=C1 3237AC [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 C=CCC1=CC=C(Br)C=C1 7818AD [1,0,0,0,0,0|1,0,0]=2 9 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [1,0,0,0,0,0|1,0,0]=2 10 B10R1.1 C=CCC1=CC=C(F)C=C1 0990AQ [1,0,0,0,0,0|1,0,0]=2 11 B10R1.1 CC1=CC=C(CCO)C=C1 X8365 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.1 CC1=CC=C(NC=O)C=C1 6608AL [1,0,0,0,0,0|2,0,0]=3 13 B10R1.1 CC1=NC=C(CC#N)C=C1 7400AB [1,0,0,0,0,0|2,0,1]=4 14 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [1,0,0,0,0,0|0,0,2]=3 15 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [1,0,0,0,0,0|1,0,2]=4 16 B10R1.1 CCNC1=CC=C(C)C=C1 U343 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [1,0,0,0,0,0|1,0,2]=4 18 B10R1.1 CNCC1=CC=C(O)C=C1 6057AJ [1,0,0,0,0,0|1,0,1]=3 19 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [1,0,0,0,0,0|2,0,1]=4 20 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [1,0,0,0,0,0|2,0,1]=4 21 B10R1.1 NNCC1=CC=C(F)C=C1 0826AC [1,0,0,0,0,0|3,0,0]=4 22 B10R1.1 NOCC1=CC=C(Br)C=C1 5547AB [1,0,0,0,0,0|3,0,0]=4 23 B10R1.1 NOCC1=CC=C(Cl)C=C1 X4802 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.1 O\N=C\C1=CC=C(O)C=C1 6494AE [1,0,0,0,0,0|2,0,1]=4 25 B10R1.3 C#CC1=CC=C(CN)C=C1 0181AB [1,0,0,0,0,0|2,0,1]=4 26 B10R1.3 C#CC1=CC=C(OC)N=C1 0197AC [1,0,0,0,0,0|1,0,2]=4 27 B10R1.3 C=CC1=CC=C(C#N)C=C1 8141AJ [1,0,0,0,0,0|2,0,0]=3 28 B10R1.3 C=CC1=CC=C(CN)C=C1 X4444 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.3 CCC1=CC=C(CN)C=C1 9087AE [1,0,0,0,0,0|2,0,0]=3 30 B10R1.3 CCC1=CC=C(NN)C=C1 8775AH [1,0,0,0,0,0|2,0,1]=4 31 B10R1.3 CCC1=CN=C(CN)C=C1 8048AB [1,0,0,0,0,0|3,0,0]=4 32 B10R1.3 CNC1=NC=C(C=O)C=C1 8681AE [1,0,0,0,0,0|3,0,0]=4 33 B10R1.3 COC1=CC=C(CN)C=N1 V4770 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.3 COC1=CN=C(CCl)C=C1 2740AC [1,0,0,0,0,0|2,0,0]=3 35 B10R1.3 COC1=NC=C(CBr)C=C1 Y7368 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.3 COC1=NC=C(CCl)C=C1 3509AA [1,0,0,0,0,0|2,0,0]=3 37 B10R1.3 COC1=NC=C(CN)C=N1 6170AC [1,0,0,0,0,0|3,0,0]=4 38 B10R1.3 CSC1=CC=C(CCl)C=C1 I304 [1,0,0,0,0,0|1,1,0]=3 39 B10R1.3 CSC1=CC=C(NN)C=C1 1474AE [1,0,0,0,0,0|2,1,0]=4 40 B10R1.3 CSC1=NC=C(C=O)C=C1 Z0204 [1,0,0,0,0,0|2,1,0]=4 41 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 7787AC [1,0,0,0,0,0|1,0,1]=3 42 B12R1.4 C=C(Br)CC1=CC=C(SC)C=C1 0379AF [0,1,0,0,0,0|0,1,0]=2 43 B12R1.4 C=C(C)CC1=CC=C(OC)C=C1 7091AD [0,1,0,0,0,0|0,0,0]=1 44 B12R1.4 CC(=O)CC1=CC=C(C#N)C=C1 8757AB [0,1,0,0,0,0|2,0,1]=4 45 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 7067AA [0,1,0,0,0,0|2,0,0]=3 46 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 2717AL [0,1,0,0,0,0|1,0,1]=3 47 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 0374AC [0,1,0,0,0,0|2,0,0]=3 48 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 X5525 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.4 COC1=CC=C(NC(C)C)C=C1 8375AA [0,1,0,0,0,0|1,0,2]=4 50 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 3012AB [0,1,0,0,0,0|3,0,0]=4 51 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 7496AE [0,1,0,0,0,0|3,0,0]=4 52 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 4244AB [0,1,0,0,0,0|3,0,0]=4 53 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 7913AD [0,1,0,0,0,0|0,0,2]=3 54 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 X9190 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.5 COC1=CC=C(C(=O)C#N)C=C1 8793AH [0,1,0,0,0,0|1,0,2]=4 56 B12R1.5 COC1=CC=C(C(=O)ON)C=C1 1197AF [0,1,0,0,0,0|2,0,1]=4 57 B12R1.5 COC1=CC=C(C(O)CN)C=C1 8059AB [0,1,0,0,0,0|1,0,1]=3 58 B12R1.5 COC1=CC=C(N(C)C=O)C=C1 6568AL [0,1,0,0,0,0|2,0,0]=3 59 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 7517AB [0,1,0,0,0,0|1,1,1]=4 60 B12R1.71 CCC1=CC=C(OCCN)C=C1 7905AE [0,1,0,0,0,0|2,0,1]=4 61 B12R1.71 COC1=CC=C(C#CCO)C=C1 2004AJ [0,1,0,0,0,0|0,0,3]=4 62 B12R1.71 COC1=CC=C(CN=C=O)C=C1 5757AE [0,1,0,0,0,0|1,0,1]=3 63 B12R1.71 COC1=CC=C(OCCN)C=C1 4509AE [0,1,0,0,0,0|1,0,1]=3 64 B12R1.71 COC1=CC=C(OCCO)C=C1 5212AE [0,1,0,0,0,0|1,0,1]=3 65 B12R1.71 COC1=CC=C(\C=C\CO)C=C1 5877AD [0,1,0,0,0,0|0,0,2]=3 66 B12R1.71 CSC1=CC=C(OCC#N)C=C1 5394AJ [0,1,0,0,0,0|1,1,1]=4 67 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 5439AB [0,1,0,0,0,0|2,0,1]=4 68 B12R1.113 CC(=O)C1=CC=C(CCCl)C=C1 8308AE [0,1,0,0,0,0|2,0,1]=4 69 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 3688AE [0,1,0,0,0,0|2,0,0]=3 70 B12R1.113 CC(C)C1=CC=C(CNN)C=C1 0542AD [0,1,0,0,0,0|3,0,0]=4 71 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 2970AF [0,1,0,0,0,0|1,0,2]=4 72 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 7699AC [0,1,0,0,0,0|2,0,1]=4 73 B12R1.113 CNCC1=CC=C(N(C)C)C=C1 7290AJ [0,1,0,0,0,0|2,0,1]=4 74 B12R1.114 C=CCC1=CC=C(OC)C=C1C 5471AD [0,1,0,0,0,0|0,0,0]=1 75 B12R1.114 COC1=CC=C(CC#N)C(Cl)=C1 5502AD [0,1,0,0,0,0|1,0,1]=3 76 B12R1.116 C=CCC1=CC=C(OCC)C=C1 1796AE [0,1,0,0,0,0|0,0,0]=1 77 B12R1.116 C=CCC1=CC=C(SCC)C=C1 0378AF [0,1,0,0,0,0|0,1,0]=2 78 B12R1.116 CCOC1=CC=C(CNC)C=C1 V5862 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.116 ClCCC1=CC=C(CCCl)C=C1 4601AL [0,1,0,0,0,0|2,0,1]=4 80 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 9540AE [0,1,0,0,0,0|1,0,1]=3 81 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 1712AC [0,1,0,0,0,0|1,0,1]=3 82 B12R1.288 COC1=C(Cl)C=C(CCN)C=C1 9277AE [0,1,0,0,0,0|1,0,1]=3 83 B12R1.288 COC1=C(Cl)C=C(N=C=O)C=C1 9115AD [0,1,0,0,0,0|2,0,1]=4 84 B12R2.44 BrCC1=CC=C2OC=CC2=C1 6275AJ [0,0,0,1,0,0|3,0,0]=4 85 B12R2.44 CNC1=CC2=C(C=C1)CCC2 4154AJ [0,0,0,1,0,0|1,0,2]=4 86 B12R2.44 CNC1=CC2=C(C=C1)NN=C2 8328AH [0,0,0,1,0,0|3,0,0]=4 87 B12R2.44 COC1=CC2=C(C=C1)C=NO2 5243AB [0,0,0,1,0,0|2,0,1]=4 88 B12R2.44 COC1=CC2=C(C=C1)CNC2 1266AA [0,0,0,1,0,0|1,0,1]=3 89 B12R2.44 COC1=CC2=C(C=C1)CNC2 X9691 [0,0,0,1,0,0|1,0,1]=3 90 B12R2.44 COC1=CC2=C(C=C1)OC=C2 6140AA [0,0,0,1,0,0|1,0,0]=2 91 B12R2.44 COC1=CC2=C(C=C1)OC=N2 5948AA [0,0,0,1,0,0|2,0,0]=3 92 B12R2.44 COC1=CC2=C(C=C1)ON=C2 5244AB [0,0,0,1,0,0|2,0,0]=3 93 B12R2.44 COC1=CC2=C(C=C1)SC=C2 Y1904 [0,0,0,1,0,0|1,0,0]=2 94 B12R2.44 COC1=CC2=C(C=CC2)C=C1 4207AB [0,0,0,1,0,0|0,0,2]=3 95 B12R2.44 COC1=CC2=C(C=CS2)C=C1 5075AC [0,0,0,1,0,0|1,0,1]=3 96 B12R2.44 COC1=CC2=NSN=C2C=C1 5858AD [0,0,0,1,0,0|3,0,0]=4 97 B12R2.44 COC1=CC=C2C=NNC2=C1 L862 [0,0,0,1,0,0|2,0,1]=4 98 B12R2.44 COC1=CC=C2CC=CC2=C1 4206AB [0,0,0,1,0,0|0,0,0]=1 99 B12R2.44 COC1=CC=C2CCNC2=C1 3570AJ [0,0,0,1,0,0|1,0,1]=3 100 B12R2.44 COC1=CN=C2C=CNC2=C1 X9352 [0,0,0,1,0,0|2,0,1]=4 101 B12R2.44 CSC1=CC2=C(C=C1)NC=C2 2950AL [0,0,0,1,0,0|1,1,0]=3 102 B12R2.44 N#CC1=CC=C2SC=CC2=C1 Y8190 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.44 NCC1=CC=C2OC=CC2=C1 Y8924 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.44 NCC1=CC=C2SC=CC2=C1 Y9486 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.44 O=CC1=CC=C2SC=CC2=C1 Y6790 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 V0759 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.44 OCC1=CC=C2SC=CC2=C1 Y8181 [0,0,0,1,0,0|3,0,0]=4 108 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [2,0,0,0,0,0|1,0,0]=3 109 B9R1.1 C=CC1=NC=C(Br)C=C1 1393AB [2,0,0,0,0,0|2,0,0]=4 110 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [2,0,0,0,0,0|1,0,0]=3 111 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [2,0,0,0,0,0|0,0,1]=3 114 B9R1.1 CCC1=CC=C(S)C=C1 S243 [2,0,0,0,0,0|0,1,1]=4 115 B9R1.1 CNC1=CC=C(I)C=C1 W7309 [2,0,0,0,0,0|2,0,0]=4 116 B9R1.1 CNC1=CC=C(N)C=C1 F921 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.1 COC1=CC=C(C)N=C1 8055AB [2,0,0,0,0,0|1,0,0]=3 118 B9R1.1 C[N+]1=CC=C(CO)C=C1 7356AE [2,0,0,0,0,0|2,0,0]=4 119 B9R1.1 ClCC1=CC=C(I)C=C1 Y6287 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.1 NCC1=CC=C(I)C=C1 5275AB [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [2,0,0,0,0,0|1,0,0]=3 122 B9R1.8 CNCC1=CC=CC=C1 3855AD [2,0,0,0,0,0|1,0,1]=4 123 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [2,0,0,0,0,0|0,0,2]=4 124 B9R1.8 NCCC1=CC=CC=C1 5784AL [2,0,0,0,0,0|1,0,1]=4 125 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 3482AH [2,0,0,0,0,0|1,0,1]=4 126 B11R1.1 C=CCCC1=CC=C(C)C=C1 6965AD [1,1,0,0,0,0|0,0,0]=2 127 B11R1.1 C=CCOC1=CC=C(N)C=C1 5430AD [1,1,0,0,0,0|1,0,0]=3 128 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 5559AD [1,1,0,0,0,0|2,0,0]=4 129 B11R1.1 CC1=CC=C(NCCO)C=C1 9296AD [1,1,0,0,0,0|1,0,1]=4 130 B11R1.1 CC1=CC=C(OCCBr)C=C1 V3999 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.1 CC1=CC=C(OCCCl)C=C1 7057AD [1,1,0,0,0,0|1,0,1]=4 132 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [1,1,0,0,0,0|0,0,2]=4 133 B11R1.1 CCNCC1=CC=C(O)C=C1 6053AJ [1,1,0,0,0,0|0,0,2]=4 134 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 3648AL [1,1,0,0,0,0|2,0,0]=4 135 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 4423AJ [1,1,0,0,0,0|2,0,0]=4 137 B11R1.20 NC(=O)NC1=CC=C(O)C=C1 7848AA [1,1,0,0,0,0|2,0,0]=4 138 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 7203AB [1,1,0,0,0,0|1,0,1]=4 139 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [1,1,0,0,0,0|1,0,1]=4 140 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [1,1,0,0,0,0|1,0,1]=4 141 B11R1.22 CC1=CC=C(N(C)C=O)C=C1 8372AL [1,1,0,0,0,0|2,0,0]=4 142 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [1,1,0,0,0,0|0,0,2]=4 143 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [1,1,0,0,0,0|0,0,2]=4 144 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 5627AH [1,1,0,0,0,0|1,0,1]=4 145 B11R1.81 C=CCC1=CC=C(F)C=C1Cl X7339 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.81 CC1=CC=C(CC#N)C(C)=C1 8114AE [1,1,0,0,0,0|1,0,1]=4 147 B11R1.81 N#CCC1=CC=C(O)C=C1O W1996 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.192 C=CCC1=CC(Cl)=C(Cl)C=C1 7092AD [1,1,0,0,0,0|1,0,0]=3 149 B11R1.192 CNCC1=CC=C(O)C(O)=C1 6058AJ [1,1,0,0,0,0|1,0,1]=4 150 B11R1.192 O=CCC1=CC=C(Cl)C(Cl)=C1 W9614 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 5524AD [1,1,0,0,0,0|0,0,0]=2 152 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 X2027 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 0840AB [1,1,0,0,0,0|1,0,1]=4 154 B11R1.3 CN(C)C1=CC=C(CO)C=C1 O083 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.3 COC1=CC=C(C(N)=S)C=N1 Y5310 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.3 COC1=CN=C(C(C)=O)C=C1 V5184 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.3 COC1=CN=C(C(N)=O)C=C1 V8588 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.3 COC1=NC=C(C(=N)N)C=C1 W4265 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.3 COC1=NC=C(C(N)=O)C=C1 V7449 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.3 CSC1=CC=C(C(=O)Cl)C=C1 0486AQ [1,1,0,0,0,0|1,1,0]=4 161 B11R1.279 COC1=C(Br)C=C(CN)C=C1 4741AJ [1,1,0,0,0,0|1,0,0]=3 162 B11R1.279 COC1=C(I)C=C(CO)C=C1 4275AH [1,1,0,0,0,0|1,0,0]=3 163 B11R1.279 COC1=CC(Cl)=C(CO)C=C1 8489AH [1,1,0,0,0,0|1,0,0]=3 164 B11R1.279 COC1=CC=C(C=O)C(C)=N1 Z0230 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.279 COC1=CC=C(CBr)C(Cl)=C1 7963AB [1,1,0,0,0,0|1,0,0]=3 166 B11R1.279 COC1=CC=C(CCl)C=C1F 1271AE [1,1,0,0,0,0|1,0,0]=3 167 B11R1.279 COC1=CC=C(CO)C(Br)=C1 5480AJ [1,1,0,0,0,0|1,0,0]=3 168 B11R1.279 COC1=CC=C(CO)C(C)=N1 Z0506 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.279 COC1=CC=C(NN)C(C)=C1 X7938 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.279 COC1=CN=C(C=O)C=C1O 6931AD [1,1,0,0,0,0|2,0,0]=4 171 B11R1.279 COC1=NC=C(C=O)C=C1C Y3925 [1,1,0,0,0,0|2,0,0]=4 172 B13R1.4 COC1=CC=C(CC(C)(C)N)C=C1 9488AH [0,2,0,0,0,0|0,0,2]=4 173 B13R1.4 COC1=CC=C(C[B-](F)(F)F)C=C1 7314AJ [0,2,0,0,0,0|2,0,0]=4 174 B13R1.5 COC(=O)NC1=CC=C(OC)C=C1 4552AD [0,2,0,0,0,0|1,0,1]=4 175 B13R1.5 COC1=CC=C(CC(C)C=O)C=C1 2238AL [0,2,0,0,0,0|0,0,1]=3 176 B13R1.5 COC1=CC=C(NC(=O)CN)C=C1 0810AF [0,2,0,0,0,0|1,0,1]=4 177 B13R1.5 COC1=CC=C(NC(=S)NN)C=C1 5370AB [0,2,0,0,0,0|2,0,0]=4 178 B13R1.5 COC1=CC=C(OC(C)CN)C=C1 5943AC [0,2,0,0,0,0|1,0,1]=4 179 B13R1.35 COC1=CC=C(NC(C)=O)C=C1Cl 8498AE [0,2,0,0,0,0|1,0,1]=4 180 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 1870AB [0,2,0,0,0,0|1,0,0]=3 181 B13R1.36 CSC1=CC=C(C(N)C(=O)O)C=C1 V7512 [0,2,0,0,0,0|1,1,0]=4 182 B13R1.142 CCOC1=CC=C(NC(N)=O)C=C1 Y7595 [0,2,0,0,0,0|2,0,0]=4 183 B13R1.142 COCC1=CC=C(CC(=O)O)C=C1 4129AB [0,2,0,0,0,0|1,0,0]=3 184 B13R1.142 NCCC1=CC=C(CC(=O)O)C=C1 4950AH [0,2,0,0,0,0|2,0,0]=4 185 B13R1.142 NCCC1=CC=C(OC(F)F)C=C1 1440AJ [0,2,0,0,0,0|1,0,1]=4 186 B13R1.585 CN(C)C1=CC=C(CC(=O)O)C=C1 X5523 [0,2,0,0,0,0|2,0,0]=4 187 B13R1.653 COC1=CC(C)=C(CC(C)=O)C=C1 1438AL [0,2,0,0,0,0|0,0,1]=3 188 B13R1.653 COC1=CC=C(CC(=O)O)C(Br)=C1 X2673 [0,2,0,0,0,0|1,0,0]=3 189 B13R1.653 COC1=CC=C(CC(=O)O)C(F)=C1 W9056 [0,2,0,0,0,0|1,0,0]=3 190 B13R1.653 COC1=CC=C(CC(C)=O)C(O)=C1 6279AC [0,2,0,0,0,0|0,0,1]=3 191 B13R1.653 COC1=CC=C(NC(C)=O)C(Br)=C1 V7779 [0,2,0,0,0,0|1,0,1]=4 192 B13R1.139 CCOC1=CC=C(C(C)NC)C=C1 V9168 [0,2,0,0,0,0|1,0,1]=4 193 B13R1.139 CCOC1=CC=C(C(N)CC)C=C1 0839AD [0,2,0,0,0,0|0,0,2]=4 194 B13R1.139 CCOC1=CC=C(C(N)CC)C=C1 3370AF [0,2,0,0,0,0|0,0,2]=4 195 B13R1.139 CCOC1=CC=C(C(O)CC)C=C1 7742AC [0,2,0,0,0,0|0,0,2]=4 196 B13R1.139 COC(=O)C1=CC=C(CCN)C=C1 8209AB [0,2,0,0,0,0|1,0,1]=4 197 B13R1.139 COC(=O)C1=CC=C(CCN)C=C1 Y4060 [0,2,0,0,0,0|1,0,1]=4 198 B13R1.139 COCC1=CC=C(C(=O)OC)C=C1 3557AL [0,2,0,0,0,0|1,0,1]=4 199 B13R1.187 COC1=CC=C(C(C)(C)CN)C=C1 V6337 [0,2,0,0,0,0|1,0,1]=4 200 B13R1.452 COC1=CC=C(C(N)CCO)C=C1 0512AC [0,2,0,0,0,0|0,0,2]=4 201 B13R1.452 COC1=CC=C([C@H](N)CCO)C=C1 1210AL [0,2,0,0,0,0|0,0,2]=4 202 B13R1.452 COC1=CC=C(\C(Cl)=C\C#N)C=C1 3851AC [0,2,0,0,0,0|0,0,2]=4 203 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 9197AD [0,2,0,0,0,0|1,0,1]=4 204 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 1270AB [0,2,0,0,0,0|0,0,2]=4 205 B13R1.3 COC1=CC=C(CCC(N)=O)C=C1 Z2631 [0,2,0,0,0,0|0,0,1]=3 206 B13R1.3 COC1=CC=C(CSC(N)=[NH2+])C=C1 AMTEC006 [0,2,0,0,0,0|1,0,0]=3 207 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 G949 [0,2,0,0,0,0|1,0,0]=3 208 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 7597AE [0,2,0,0,0,0|0,0,2]=4 209 B13R1.3 COC1=CC=C(OCC(C)O)C=C1 4291AL [0,2,0,0,0,0|0,0,2]=4 210 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 6135AC [0,2,0,0,0,0|0,0,1]=3 211 B13R1.74 C=CCCC1=CC=C(C(=O)O)C=C1 4836AD [0,2,0,0,0,0|2,0,0]=4 212 B13R1.74 C=CCOC1=CC=C(B(O)O)C=C1 X1624 [0,2,0,0,0,0|2,0,0]=4 213 B13R1.74 C=CCOC1=CC=C(C(C)=O)C=C1 7073AD [0,2,0,0,0,0|1,0,0]=3 214 B13R1.77 C=CCC1=CC=C(CCCC)C=C1 0376AF [0,2,0,0,0,0|1,0,0]=3 215 B13R1.77 CCCOC1=CC=C(CCN)C=C1 5700AE [0,2,0,0,0,0|1,0,1]=4 216 B13R1.77 CCOC1=CC=C(OCCCl)C=C1 1381AL [0,2,0,0,0,0|1,0,1]=4 217 B13R1.371 CNCCOC1=CC=C(OC)C=C1 7615AC [0,2,0,0,0,0|0,0,2]=4 218 B13R1.371 COC1=CC=C(CCCCN)C=C1 1233AC [0,2,0,0,0,0|0,0,2]=4 219 B13R1.371 COC1=CC=C(OCCCI)C=C1 0683AD [0,2,0,0,0,0|0,0,2]=4 220 B13R1.371 COC1=CC=C(OCCCN)C=C1 7280AC [0,2,0,0,0,0|0,0,2]=4 221 B13R1.577 CNCCC1=CC=C(OC)C(Br)=C1 Z2052 [0,2,0,0,0,0|0,0,2]=4 222 B13R1.577 COC1=C(Br)C=C(CCC#N)C=C1 6124AC [0,2,0,0,0,0|0,0,2]=4 223 B13R1.1249 C=CCC1=C(OC)C=C(OC)C=C1 1795AE [0,2,0,0,0,0|0,0,0]=2 224 B13R1.2901 COC1=C(C)C=C(CC#N)C(C)=C1 8268AC [0,2,0,0,0,0|1,0,1]=4 225 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 7168AE [0,2,0,0,0,0|1,0,1]=4 226 B13R1.4031 C=CCC1=CC(C)=C(OC)C(C)=C1 5107AE [0,2,0,0,0,0|0,0,0]=2 227 B11R1.280 C=CC1=CC(OC)=CC=C1N Y8221 [0,0,1,1,0,0|1,0,1]=4 228 B11R2.36 CC1=CC2=C(C=C1)N=CS2 8274AJ [1,0,0,1,0,0|2,0,0]=4 229 B11R2.36 CC1=CC2=C(C=C1)OC=C2 6383AJ [1,0,0,1,0,0|1,0,0]=3 230 B11R2.36 CC1=CC2=C(C=C1)SC=N2 2988AB [1,0,0,1,0,0|2,0,0]=4 231 B11R2.36 CC1=CC=C2CCNC2=C1 3598AJ [1,0,0,1,0,0|1,0,1]=4 232 B11R2.36 CC1=CC=C2N=COC2=C1 Z6795 [1,0,0,1,0,0|2,0,0]=4 233 B11R2.36 CC1=CC=C2NC=CC2=N1 6692AB [1,0,0,1,0,0|2,0,0]=4 234 B11R2.36 ClC1=CC=C2CC=CC2=C1 5224AB [1,0,0,1,0,0|1,0,0]=3 235 B11R2.36 NC1=CC2=C(C=C1)NC=C2 5783AH [1,0,0,1,0,0|2,0,0]=4 236 B11R2.36 NC1=CC=C2SC=CC2=C1 W4319 [1,0,0,1,0,0|2,0,0]=4 237 B11R2.36 OC1=CC2=C(N=C1)SC=C2 0855AB [1,0,0,1,0,0|2,0,0]=4 238 B11R2.36 OC1=CC=C2C=COC2=C1 5917AA [1,0,0,1,0,0|1,0,1]=4 239 B11R2.36 OC1=CC=C2CCOC2=C1 W4735 [1,0,0,1,0,0|1,0,1]=4 240 B11R2.36 OC1=CC=C2NC=CC2=N1 Z4288 [1,0,0,1,0,0|2,0,0]=4 241 B11R2.36 OC1=CN2C=CN=C2C=C1 4145AJ [1,0,0,1,0,0|2,0,0]=4 242 B11R2.190 C=CC1=CC=C2CCC2=C1 6995AC [1,0,0,1,0,0|1,0,0]=3 243 B11R2.190 OCC1=CC=C2C=CC2=C1 L732 [1,0,0,1,0,0|2,0,0]=4 244 B13R2.2121 COC1=CC2=C(C=C1)N=C(C)O2 1706AB [0,1,0,1,0,0|1,0,1]=4 245 B13R2.2121 COC1=CC2=C(C=C1)OC(Cl)=N2 6709AB [0,1,0,1,0,0|2,0,0]=4 246 B13R2.2121 COC1=CC2=C(C=C1)SC(Cl)=N2 4292AB [0,1,0,1,0,0|2,0,0]=4 247 B13R2.2121 COC1=CC2=C(C=N1)NC(C)=C2 Y7031 [0,1,0,1,0,0|2,0,0]=4 248 B13R2.2121 COC1=CC2=CN(C)N=C2C=C1 Y9405 [0,1,0,1,0,0|2,0,0]=4 249 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 V6158 [0,1,0,1,0,0|1,0,1]=4 250 B13R2.2121 COC1=CC=C2SC(C)=NC2=C1 E648 [0,1,0,1,0,0|1,0,1]=4 251 B13R2.2121 COC1=CN2C=C(Br)N=C2C=C1 Z6734 [0,1,0,1,0,0|2,0,0]=4 252 B13R2.2130 COC1=CC2=C(C=C1)C(=O)C=C2 1323AC [0,1,0,1,0,0|0,0,1]=3 253 B13R2.2130 COC1=CC2=C(C=C1)N(C)C=C2 V4681 [0,1,0,1,0,0|1,0,0]=3 254 B13R2.2130 COC1=CC=C2C(=N1)C=CN2O V2838 [0,1,0,1,0,0|2,0,0]=4 255 B13R2.57 COC1=CC2=C(C=C1)CCNC2 W3809 [0,1,0,1,0,0|0,0,2]=4 256 B13R2.57 COC1=CN=C2C=CC=NC2=C1 3302AD [0,1,0,1,0,0|1,0,1]=4 257 B13R2.669 COC1=CC2=C(C=C1)CCC2N 0729AA [0,1,0,1,0,0|0,0,2]=4 258 B13R2.669 COC1=CC2=C(C=C1)CC[C@@H]2N 1312AL [0,1,0,1,0,0|0,0,2]=4 259 B13R2.669 COC1=CC2=C(C=C1)CC[C@H]2N 1226AL [0,1,0,1,0,0|0,0,2]=4 260 B13R2.669 COC1=CC2=C(C=C1)CC[C@H]2N W8136 [0,1,0,1,0,0|0,0,2]=4 261 B13R2.669 COC1=CC2=C(C=C1)CNC2=O X9840 [0,1,0,1,0,0|1,0,0]=3 262 B13R2.669 COC1=CC2=C(C=C1)NN=C2Cl 4313AC [0,1,0,1,0,0|2,0,0]=4 263 B13R2.669 COC1=CC2=C(C=C1)NN=C2I V4948 [0,1,0,1,0,0|2,0,0]=4 264 B13R2.669 COC1=CC2=C(C=C1)OC=C2Cl 2137AC [0,1,0,1,0,0|1,0,0]=3 265 B13R2.669 COC1=CC=C2NC=C(C)C2=C1 1126AB [0,1,0,1,0,0|1,0,0]=3 266 B13R2.669 COC1=CC=C2NC=C(C)C2=N1 Z4137 [0,1,0,1,0,0|2,0,0]=4 267 B13R2.669 COC1=CC=C2NC=C(I)C2=N1 2989AF [0,1,0,1,0,0|2,0,0]=4 268 B13R2.669 COC1=CN=C2NC=C(Br)C2=C1 1226AA [0,1,0,1,0,0|2,0,0]=4 269 B13R2.669 COC1=CN=C2NC=C(I)C2=C1 V9059 [0,1,0,1,0,0|2,0,0]=4 270 B13R2.654 COC1=CC2=C(C=CN2)C(Br)=C1 5147AB [0,1,0,1,0,0|1,0,1]=4 271 B13R2.449 CCOC1=CC=C2NN=CC2=C1 5841AH [0,1,0,1,0,0|2,0,0]=4 272 B13R2.449 CNCC1=CC=C2OCOC2=C1 Y7605 [0,1,0,1,0,0|1,0,1]=4 273 B13R2.449 ClCCC1=CC=C2OCCC2=C1 X5646 [0,1,0,1,0,0|1,0,1]=4 274 B13R2.449 N#CCC1=CC=C2OCCC2=C1 0124AB [0,1,0,1,0,0|1,0,1]=4 275 B13R2.449 NCCC1=CC2=C(C=C1)NC=C2 Y8219 [0,1,0,1,0,0|2,0,0]=4 276 B13R2.449 NNCC1=CC2=C(C=C1)OCO2 4672AE [0,1,0,1,0,0|2,0,0]=4 277 B13R2.449 OCCC1=CC=C2OCCC2=C1 Z5567 [0,1,0,1,0,0|1,0,1]=4 278 B13R2.84 COC1=C(Cl)C2=C(C=C1)OC=C2 2138AC [0,1,0,1,0,0|1,0,0]=3 279 B13R2.84 COC1=C(F)C2=C(C=C1)NC=C2 2872AB [0,1,0,1,0,0|1,0,0]=3 280 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 1392AA [0,1,0,1,0,0|1,0,0]=3 281 B13R2.599 COC1=C(Br)C=C2NN=CC2=C1 3585AA [0,1,0,1,0,0|2,0,0]=4 282 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 1512AA [0,1,0,1,0,0|1,0,1]=4 283 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 3750AA [0,1,0,1,0,0|1,0,1]=4 284 B13R2.599 COC1=CC2=C(C=CN2)C=C1Cl 5107AC [0,1,0,1,0,0|1,0,1]=4 285 B9R1.7 C=CCC1=CC=C(Br)S1 5032AD [1,0,0,0,1,0|2,0,0]=4 286 B9R1.21 COC1=CC=C(C=O)S1 4303AB [1,0,0,0,1,0|2,0,0]=4