0 B10R1.1 BrC1=CC=C(CCI)C=C1 3237AC [0,0,0,0,0,0|2,0,1]=3 1 B10R1.1 C=CCC1=CC=C(Br)C=C1 7818AD [0,0,0,0,0,0|2,0,0]=2 2 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [0,0,0,0,0,0|2,0,0]=2 3 B10R1.1 C=CCC1=CC=C(F)C=C1 0990AQ [0,0,0,0,0,0|2,0,0]=2 4 B10R1.1 CC1=CC=C(CCO)C=C1 X8365 [0,0,0,0,0,0|0,0,2]=2 5 B10R1.1 CC1=CC=C(NC=O)C=C1 6608AL [0,0,0,0,0,0|1,0,0]=1 6 B10R1.1 CC1=NC=C(CC#N)C=C1 7400AB [0,0,0,0,0,0|2,0,1]=3 7 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [0,0,0,0,0,0|1,0,1]=2 8 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [0,0,0,0,0,0|2,0,1]=3 9 B10R1.1 CCNC1=CC=C(C)C=C1 U343 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.1 CCNC1=CC=C(F)C=C1 5502AB [0,0,0,0,0,0|3,0,1]=4 11 B10R1.1 CCNC1=CC=C(O)C=C1 0115AC [0,0,0,0,0,0|3,0,1]=4 12 B10R1.1 CNCC1=CC=C(Cl)N=C1 9680AL [0,0,0,0,0,0|4,0,0]=4 13 B10R1.1 CNCC1=CC=C(O)C=C1 6057AJ [0,0,0,0,0,0|3,0,0]=3 14 B10R1.1 CNCC1=CN=C(C)N=C1 Z4024 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [0,0,0,0,0,0|3,0,0]=3 16 B10R1.1 N#CCC1=CN=C(Br)C=C1 7149AA [0,0,0,0,0,0|3,0,1]=4 17 B10R1.1 NCCC1=CC=C(Br)C=N1 1783AL [0,0,0,0,0,0|3,0,1]=4 18 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [0,0,0,0,0,0|2,0,1]=3 19 B10R1.1 NNCC1=CC=C(F)C=C1 0826AC [0,0,0,0,0,0|3,0,0]=3 20 B10R1.1 NOCC1=CC=C(Br)C=C1 5547AB [0,0,0,0,0,0|3,0,0]=3 21 B10R1.1 NOCC1=CC=C(Cl)C=C1 X4802 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.1 O=C=NC1=CN=C(Cl)C=C1 0276AQ [0,0,0,0,0,0|3,0,1]=4 23 B10R1.1 O\N=C\C1=CC=C(O)C=C1 6494AE [0,0,0,0,0,0|2,0,2]=4 24 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 C#CC1=CC=C(I)C=C1 1951AC [1,0,0,0,0,0|1,0,2]=4 26 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.1 C=CC1=NC=C(Br)C=C1 1393AB [1,0,0,0,0,0|2,0,1]=4 28 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [1,0,0,0,0,0|0,1,0]=2 29 B9R1.1 CC1=CN=C(C=O)N=C1 5145AC [1,0,0,0,0,0|2,0,0]=3 30 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 CC1=CN=C(CN)C=N1 N635 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 CC1=CN=C(CN)N=C1 5734AC [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 CC1=CN=C(CN)N=C1 8860AH [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 CC1=CN=C(CO)N=C1 5144AC [1,0,0,0,0,0|2,0,1]=4 35 B9R1.1 CC1=NC=C(CBr)C=N1 2514AC [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.1 CC1=NC=C(NN)C=C1 0173AB [1,0,0,0,0,0|3,0,0]=4 39 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [1,0,0,0,0,0|0,0,1]=2 40 B9R1.1 CCC1=CC=C(S)C=C1 S243 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.1 CCC1=CN=C(Cl)C=C1 4992AC [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [1,0,0,0,0,0|2,0,1]=4 43 B9R1.1 CNC1=CC=C(I)C=C1 W7309 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.1 CNC1=CC=C(N)C=C1 F921 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.1 COC1=CC=C(C)N=C1 8055AB [1,0,0,0,0,0|2,0,1]=4 46 B9R1.1 C[N+]1=CC=C(CO)C=C1 7356AE [1,0,0,0,0,0|1,0,1]=3 47 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 ClCC1=CC=C(I)C=C1 Y6287 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.1 ClCC1=NC=C(Br)C=C1 8626AA [1,0,0,0,0,0|3,0,0]=4 50 B9R1.1 FC1=CN=C(CCl)C=C1 9982AL [1,0,0,0,0,0|3,0,0]=4 51 B9R1.1 N#CC1=CC=C(S)C=C1 V7013 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 NC1=CC=C(CO)C=N1 U962 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.1 NCC1=CC=C(I)C=C1 5275AB [1,0,0,0,0,0|2,0,0]=3 54 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.1 NCC1=NC=C(F)C=C1 Y9474 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 O=C1C=CC(=NCl)C=C1 8527AL [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 O=CC1=NN=C(O)C=C1 V9271 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 BrCCC1=CC=CC=N1 5125AB [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 CNCC1=CC=CC=N1 0916AP [1,0,0,0,0,0|3,0,0]=4 64 B9R1.8 CNCC1=CC=CC=N1 7146AD [1,0,0,0,0,0|3,0,0]=4 65 B9R1.8 CNCC1=CC=NC=C1 7436AH [1,0,0,0,0,0|3,0,0]=4 66 B9R1.8 CNNC1=CC=CC=C1 V2456 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 ClCCC1=NC=CC=C1 X6257 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 N#CCC1=CC=NC=C1 Z9553 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 NCCC1=CC=CC=C1 5784AL [1,0,0,0,0,0|1,0,1]=3 71 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 O=C=NC1=CC=CN=C1 Y9342 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 O=CNC1=NC=CC=C1 1807AL [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 SCCC1=CC=NC=C1 9519AJ [1,0,0,0,0,0|1,1,1]=4 75 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 3482AH [1,0,0,0,0,0|2,0,0]=3 76 B11R1.1 C=CCCC1=CC=C(C)C=C1 6965AD [0,1,0,0,0,0|1,0,0]=2 77 B11R1.1 C=CCOC1=CC=C(N)C=C1 5430AD [0,1,0,0,0,0|2,0,0]=3 78 B11R1.1 CC1=CC=C(CN=[N+]=[N-])C=C1 5559AD [0,1,0,0,0,0|2,0,0]=3 79 B11R1.1 CC1=CC=C(NCCO)C=C1 9296AD [0,1,0,0,0,0|0,0,2]=3 80 B11R1.1 CC1=CC=C(OCCBr)C=C1 V3999 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.1 CC1=CC=C(OCCCl)C=C1 7057AD [0,1,0,0,0,0|1,0,1]=3 82 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [0,1,0,0,0,0|1,0,1]=3 83 B11R1.1 CCCCC1=CN=C(C)C=C1 5821AH [0,1,0,0,0,0|2,0,1]=4 84 B11R1.1 CCNCC1=CC=C(N)C=C1 7272AJ [0,1,0,0,0,0|2,0,1]=4 85 B11R1.1 CCNCC1=CC=C(O)C=C1 6053AJ [0,1,0,0,0,0|2,0,1]=4 86 B11R1.1 CNCCC1=CC=C(Br)C=C1 V7496 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.1 CNCCC1=CC=C(N)C=C1 X8249 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.1 CN\N=N\C1=CC=C(C)C=C1 4909AL [0,1,0,0,0,0|3,0,0]=4 89 B11R1.1 CO\C=C\C1=CC=C(Br)C=C1 8849AB [0,1,0,0,0,0|1,0,2]=4 90 B11R1.1 ClC1=CC=C(\C=C\CBr)C=C1 1548AL [0,1,0,0,0,0|2,0,1]=4 91 B11R1.1 ClCCCC1=CC=C(Br)C=C1 Y9960 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.1 ClC\C=C\C1=CC=C(Br)C=C1 Y1270 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.1 FC1=CC=C(CCCBr)C=C1 V4639 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.1 FCCOC1=CC=C(Br)C=C1 V5244 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.1 N#CCOC1=CC=C(F)C=C1 8133AD [0,1,0,0,0,0|2,0,1]=4 96 B11R1.1 NC1=CC=C(CCCO)C=C1 7207AA [0,1,0,0,0,0|1,0,2]=4 97 B11R1.1 NCCCC1=CC=C(F)C=C1 3289AD [0,1,0,0,0,0|2,0,1]=4 98 B11R1.1 NCCCC1=CC=C(F)C=C1 7357AC [0,1,0,0,0,0|2,0,1]=4 99 B11R1.1 NCCCC1=CC=C(N)C=C1 9266AB [0,1,0,0,0,0|2,0,1]=4 100 B11R1.1 NCCNC1=CC=C(Cl)C=C1 4194AD [0,1,0,0,0,0|2,0,1]=4 101 B11R1.1 NCCNC1=CC=C(F)C=C1 4360AJ [0,1,0,0,0,0|2,0,1]=4 102 B11R1.1 O=CNCC1=CC=C(Cl)C=C1 3648AL [0,1,0,0,0,0|1,0,0]=2 103 B11R1.1 OCCCC1=CC=C(F)C=C1 V7380 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 8226AC [0,1,0,0,0,0|1,0,2]=4 105 B11R1.1 [N-]=[N+]=NCC1=CC=C(F)C=C1 5092AD [0,1,0,0,0,0|3,0,0]=4 106 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 V5002 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.20 CC(=O)NC1=NC=C(C)C=C1 Y9207 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N473 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [0,1,0,0,0,0|2,0,1]=4 110 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 4423AJ [0,1,0,0,0,0|2,0,0]=3 112 B11R1.20 CC1=CC=C(\C=[N+](\C)[O-])C=C1 5147AD [0,1,0,0,0,0|1,0,2]=4 113 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 0100AC [0,1,0,0,0,0|3,0,0]=4 114 B11R1.20 NC(=O)NC1=CC=C(O)C=C1 7848AA [0,1,0,0,0,0|2,0,0]=3 115 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 2203AE [0,1,0,0,0,0|3,0,0]=4 116 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 5213AB [0,1,0,0,0,0|2,0,0]=3 117 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 9998AA [0,1,0,0,0,0|2,0,0]=3 118 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 X9387 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.20 S=C(Cl)OC1=CC=C(Cl)C=C1 6457AL [0,1,0,0,0,0|2,1,0]=4 120 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 7203AB [0,1,0,0,0,0|2,0,1]=4 121 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 P247 [0,1,0,0,0,0|1,0,2]=4 122 B11R1.22 CC1=CC=C(C(O)CN)C=C1 7582AB [0,1,0,0,0,0|1,0,1]=3 123 B11R1.22 CC1=CC=C(C(O)CN)C=C1 9378AJ [0,1,0,0,0,0|1,0,1]=3 124 B11R1.22 CC1=CC=C(N(C)C=O)C=C1 8372AL [0,1,0,0,0,0|1,0,0]=2 125 B11R1.22 CCC(N)C1=CC=C(C)C=C1 5656AD [0,1,0,0,0,0|1,0,1]=3 126 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 9145AE [0,1,0,0,0,0|2,0,1]=4 127 B11R1.22 CCC(N)C1=CC=C(F)C=C1 8597AC [0,1,0,0,0,0|2,0,1]=4 128 B11R1.22 CCC(N)C1=CC=C(F)C=C1 9157AE [0,1,0,0,0,0|2,0,1]=4 129 B11R1.22 CCN(N)C1=CC=C(C)C=C1 4836AL [0,1,0,0,0,0|2,0,1]=4 130 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 1684AB [0,1,0,0,0,0|1,0,1]=3 131 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y6691 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 X9085 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.22 COC(C)C1=CC=C(Br)C=C1 6457AE [0,1,0,0,0,0|3,0,0]=4 134 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 1817AC [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 X4763 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 3000AE [0,1,0,0,0,0|2,0,1]=4 137 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 9601AB [0,1,0,0,0,0|2,0,1]=4 138 B11R1.22 NCC(O)C1=CC=C(F)C=C1 3928AE [0,1,0,0,0,0|2,0,1]=4 139 B11R1.22 NCC(O)C1=CC=C(F)C=C1 5412AB [0,1,0,0,0,0|2,0,1]=4 140 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 X6771 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 A976 [0,1,0,0,0,0|1,0,1]=3 142 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 5627AH [0,1,0,0,0,0|1,0,1]=3 143 B11R1.22 OCC(Cl)C1=CC=C(Cl)C=C1 2030AL [0,1,0,0,0,0|1,0,2]=4 144 B11R1.81 C=CCC1=CC=C(F)C=C1Cl X7339 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.81 CC1=CC(F)=CC=C1CC#N X8385 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.81 CC1=CC=C(CC#N)C(C)=C1 8114AE [0,1,0,0,0,0|1,0,1]=3 147 B11R1.81 N#CCC1=CC=C(O)C=C1O W1996 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.81 NCCC1=CC=C(F)C=C1F 6230AA [0,1,0,0,0,0|2,0,1]=4 149 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 1901AL [0,1,0,0,0,0|3,0,0]=4 150 B11R1.81 NOCC1=C(Cl)C=C(Cl)C=C1 7381AB [0,1,0,0,0,0|3,0,0]=4 151 B11R1.81 NOCC1=C(Cl)C=C(F)C=C1 3474AB [0,1,0,0,0,0|3,0,0]=4 152 B11R1.81 O=C=NC1=C(Cl)C=C(Br)C=C1 6431AD [0,1,0,0,0,0|2,0,1]=4 153 B11R1.81 O=CNC1=C(Br)C=C(F)C=C1 Y2967 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.83 CCCC1=CC=C(NN)C=C1 1149AE [0,1,0,0,0,0|2,0,1]=4 155 B11R1.83 COC1=CC=C(CNO)C=C1 7133AB [0,1,0,0,0,0|1,0,1]=3 156 B11R1.83 COC1=NC=C(CCN)C=C1 1228AJ [0,1,0,0,0,0|2,0,1]=4 157 B11R1.83 COCC1=CC=C(CO)C=C1 8790AH [0,1,0,0,0,0|2,0,0]=3 158 B11R1.83 N#CC1=CC=C(CCCl)C=C1 4983AA [0,1,0,0,0,0|1,0,2]=4 159 B11R1.83 NCCC1=CC=C(CO)C=C1 9331AH [0,1,0,0,0,0|1,0,1]=3 160 B11R1.83 NCCC1=CC=C(CO)C=C1 9332AH [0,1,0,0,0,0|1,0,1]=3 161 B11R1.192 C=CCC1=CC(Cl)=C(Cl)C=C1 7092AD [0,1,0,0,0,0|2,0,0]=3 162 B11R1.192 CC1=CC(CC#N)=CC=C1Br V4369 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.192 CC1=CC(N=C=O)=CC=C1Br 5048AD [0,1,0,0,0,0|2,0,1]=4 164 B11R1.192 CNCC1=CC=C(O)C(O)=C1 6058AJ [0,1,0,0,0,0|3,0,0]=4 165 B11R1.192 NOCC1=CC(O)=C(Br)C=C1 SYN5502 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.192 NOCC1=CC=C(Cl)C(Cl)=C1 7654AA [0,1,0,0,0,0|3,0,0]=4 167 B11R1.192 O=CCC1=CC=C(Cl)C(Cl)=C1 W9614 [0,1,0,0,0,0|1,0,0]=2 168 B11R2.34 BrC1=CC=C(C2CO2)C=C1 1753AL [0,0,0,1,0,0|1,0,2]=4 169 B11R2.34 ClC1=CC=C(C2CC2)C=C1 V3884 [0,0,0,1,0,0|2,0,1]=4 170 B11R2.34 FC1=CC=C(C2CC2)C=C1 V3957 [0,0,0,1,0,0|2,0,1]=4 171 B11R2.36 BrC1=CC2=C(C=C1)CCN2 V2379 [0,0,0,1,0,0|2,0,1]=4 172 B11R2.36 BrC1=CC2=C(C=C1)COC2 3099AJ [0,0,0,1,0,0|3,0,0]=4 173 B11R2.36 BrC1=CC=C2C=COC2=C1 X5968 [0,0,0,1,0,0|1,0,2]=4 174 B11R2.36 BrC1=CC=C2CCNC2=C1 3136AA [0,0,0,1,0,0|2,0,1]=4 175 B11R2.36 CC1=CC2=C(C=C1)N=CS2 8274AJ [0,0,0,1,0,0|1,1,0]=3 176 B11R2.36 CC1=CC2=C(C=C1)OC=C2 6383AJ [0,0,0,1,0,0|2,0,0]=3 177 B11R2.36 CC1=CC2=C(C=C1)SC=N2 2988AB [0,0,0,1,0,0|2,0,0]=3 178 B11R2.36 CC1=CC2=C(C=CN2)C=N1 X5582 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.36 CC1=CC=C2C=CNC2=N1 W8621 [0,0,0,1,0,0|2,0,1]=4 180 B11R2.36 CC1=CC=C2CCNC2=C1 3598AJ [0,0,0,1,0,0|1,0,1]=3 181 B11R2.36 CC1=CC=C2N=COC2=C1 Z6795 [0,0,0,1,0,0|1,0,1]=3 182 B11R2.36 CC1=CC=C2NC=CC2=N1 6692AB [0,0,0,1,0,0|3,0,0]=4 183 B11R2.36 ClC1=CC2=C(C=C1)CNC2 0868AC [0,0,0,1,0,0|3,0,0]=4 184 B11R2.36 ClC1=CC2=C(C=C1)CNC2 5317AA [0,0,0,1,0,0|3,0,0]=4 185 B11R2.36 ClC1=CC2=C(C=C1)CNC2 W9372 [0,0,0,1,0,0|3,0,0]=4 186 B11R2.36 ClC1=CC=C2CC=CC2=C1 5224AB [0,0,0,1,0,0|2,0,0]=3 187 B11R2.36 FC1=CC2=C(C=C1)CCC2 Z4670 [0,0,0,1,0,0|2,0,1]=4 188 B11R2.36 FC1=CC2=C(C=C1)CCN2 Z5776 [0,0,0,1,0,0|2,0,1]=4 189 B11R2.36 IC1=CC2=C(C=C1)CCC2 3759AD [0,0,0,1,0,0|2,0,1]=4 190 B11R2.36 IC1=CC2=C(C=C1)SC=N2 4855AC [0,0,0,1,0,0|3,0,0]=4 191 B11R2.36 NC1=CC2=C(C=C1)CCN2 9087AD [0,0,0,1,0,0|2,0,1]=4 192 B11R2.36 NC1=CC2=C(C=C1)CNC2 6912AB [0,0,0,1,0,0|3,0,0]=4 193 B11R2.36 NC1=CC2=C(C=C1)NC=C2 5783AH [0,0,0,1,0,0|3,0,0]=4 194 B11R2.36 NC1=CC2=C(C=C1)OC=N2 9776AB [0,0,0,1,0,0|3,0,0]=4 195 B11R2.36 NC1=CC=C2CNCC2=C1 6301AB [0,0,0,1,0,0|3,0,0]=4 196 B11R2.36 NC1=CC=C2SC=CC2=C1 W4319 [0,0,0,1,0,0|3,0,0]=4 197 B11R2.36 OC1=CC=C2C=COC2=C1 5917AA [0,0,0,1,0,0|1,0,2]=4 198 B11R2.36 OC1=CC=C2CCOC2=C1 W4735 [0,0,0,1,0,0|1,0,2]=4 199 B9R1.7 C=CCC1=CC=C(Br)S1 5032AD [0,0,0,0,1,0|3,0,0]=4 200 B9R1.7 CC1=CC=C(CCN)S1 5238AJ [0,0,0,0,1,0|2,0,1]=4 201 B9R1.7 CC1=CC=C(CCN)S1 9610AD [0,0,0,0,1,0|2,0,1]=4 202 B9R1.7 CC1=CSC(N=C=O)=C1 W8779 [0,0,0,0,1,0|2,0,1]=4 203 B9R1.7 CNCC1=CC=C(C)S1 5250AC [0,0,0,0,1,0|3,0,0]=4 204 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [2,0,0,0,0,0|2,0,0]=4 205 B8R1.2 CC[N+]1=CC=CC=C1 E438 [2,0,0,0,0,0|1,0,1]=4 206 B8R1.2 FCC1=CC=NC=C1 2557AL [2,0,0,0,0,0|2,0,0]=4 207 B8R1.2 NCC1=CC=CC=C1 7149AL [2,0,0,0,0,0|1,0,0]=3 208 B8R1.2 NCC1=CC=NC=C1 Z3385 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.2 O=CC1=CN=NC=C1 7044AB [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 O=CC1=NC=CC=N1 Y3220 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.2 O=CC1=NC=CN=C1 X7048 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.2 SCC1=CC=CN=C1 Z2753 [2,0,0,0,0,0|1,1,0]=4 213 B8R1.3 CC1=CN=C(C)N=C1 1431AB [2,0,0,0,0,0|2,0,0]=4 214 B8R1.3 CC1=NN=C(C)C=C1 X3917 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.3 [O-]C1=CC=C(Cl)C=C1 3305AA [2,0,0,0,0,0|1,0,1]=4 216 B10R1.3 C#CC1=CC=C(CN)C=C1 0181AB [1,1,0,0,0,0|0,0,2]=4 217 B10R1.3 C=CC1=CC=C(C#N)C=C1 8141AJ [1,1,0,0,0,0|0,0,2]=4 218 B10R1.3 C=CC1=CC=C(CN)C=C1 X4444 [1,1,0,0,0,0|0,0,1]=3 219 B10R1.3 CCC1=CC=C(CN)C=C1 9087AE [1,1,0,0,0,0|0,0,1]=3 220 B10R1.3 CCC1=CC=C(NN)C=C1 8775AH [1,1,0,0,0,0|1,0,1]=4 221 B10R1.3 CCC1=CN=C(CN)C=C1 8048AB [1,1,0,0,0,0|1,0,1]=4 222 B10R1.3 CCC1=NC=C(C=O)C=N1 S530 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.3 CNC1=NC=C(C=O)C=C1 8681AE [1,1,0,0,0,0|1,0,0]=3 224 B10R1.3 CNC1=NC=C(C=O)C=N1 7888AE [1,1,0,0,0,0|2,0,0]=4 225 B10R1.3 COC1=CC=C(CN)C=N1 V4770 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.3 COC1=CN=C(CCl)C=C1 2740AC [1,1,0,0,0,0|2,0,0]=4 227 B10R1.3 COC1=NC=C(CBr)C=C1 Y7368 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.3 COC1=NC=C(CCl)C=C1 3509AA [1,1,0,0,0,0|2,0,0]=4 229 B10R1.3 CSC1=CC=C(CCl)C=C1 I304 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.3 CSC1=CC=C(NN)C=C1 1474AE [1,1,0,0,0,0|2,0,0]=4 231 B10R1.3 CSC1=NC=C(C=O)C=C1 Z0204 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 7787AC [1,1,0,0,0,0|1,0,1]=4 233 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [1,1,0,0,0,0|1,0,1]=4 234 B10R1.13 C=C(C)C1=CC=C(O)C=C1 5917AB [1,1,0,0,0,0|1,0,1]=4 235 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [1,1,0,0,0,0|1,0,0]=3 236 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.13 CC(=O)C1=CN=C(C)N=C1 4912AJ [1,1,0,0,0,0|2,0,0]=4 238 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [1,1,0,0,0,0|2,0,0]=4 239 B10R1.13 CC(=O)C1=NC=C(C)N=C1 9503AH [1,1,0,0,0,0|2,0,0]=4 240 B10R1.13 CC(N)C1=CC=C(I)C=C1 4982AC [1,1,0,0,0,0|1,0,1]=4 241 B10R1.13 CC(N)C1=CC=C(O)C=C1 3888AD [1,1,0,0,0,0|1,0,1]=4 242 B10R1.13 CC(O)C1=CC=C(N)C=C1 7206AA [1,1,0,0,0,0|1,0,1]=4 243 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [1,1,0,0,0,0|0,0,0]=2 244 B10R1.13 CC1=CC=C(C(C)N)N=C1 4578AH [1,1,0,0,0,0|1,0,1]=4 245 B10R1.13 CC1=CC=C(C(C)N)N=C1 9504AH [1,1,0,0,0,0|1,0,1]=4 246 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 O143 [1,1,0,0,0,0|0,0,1]=3 247 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 2564AB [1,1,0,0,0,0|0,0,1]=3 248 B10R1.13 CC1=CN=C(C(=O)O)N=C1 Z5426 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 5861AC [1,1,0,0,0,0|2,0,0]=4 250 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 X3988 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.13 C[C@H](N)C1=CC=C(Cl)C=C1 8310AB [1,1,0,0,0,0|1,0,1]=4 252 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 7591AD [1,1,0,0,0,0|1,0,1]=4 253 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [1,1,0,0,0,0|1,0,1]=4 255 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2844AJ [1,1,0,0,0,0|2,0,0]=4 256 B10R1.13 N=C(N)C1=CC=C(N)C=C1 W8418 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.13 NC(=O)C1=CN=C(N)C=C1 Z2495 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.13 NC(=O)C1=CN=C(O)C=C1 U983 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.13 NC1=CC=C(C(=O)O)C=N1 3422AJ [1,1,0,0,0,0|2,0,0]=4 260 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 7848AF [1,1,0,0,0,0|1,0,0]=3 261 B10R1.13 NC1=CC=C(C(F)F)C=C1 Z1981 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 3348AA [1,1,0,0,0,0|2,0,0]=4 263 B10R1.13 O=[PH](O)C1=CC=C(Br)C=C1 5127AB [1,1,0,0,0,0|2,0,0]=4 264 B10R1.25 C(=O)C1=CNC(C)=CC1=O KMA0017 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.25 C(O)C1=C(Cl)C=C(Br)C=C1 KMA0152 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.25 C=CC1=CC=C(F)C=C1F 5271AB [1,1,0,0,0,0|1,0,1]=4 267 B10R1.25 CC1=C(C=O)C=CC(N)=N1 3414AJ [1,1,0,0,0,0|2,0,0]=4 268 B10R1.25 CC1=C(C=O)C=NC(Br)=C1 5663AC [1,1,0,0,0,0|2,0,0]=4 269 B10R1.25 CC1=C(CN)C=CC(F)=C1 2721AL [1,1,0,0,0,0|2,0,0]=4 270 B10R1.25 CC1=CC(Br)=NC=C1C=O Z0096 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.25 CC1=CC(C)=C(CCl)C=C1 0187AF [1,1,0,0,0,0|1,0,0]=3 272 B10R1.25 CC1=CC(C)=C(CO)C=C1 7829AJ [1,1,0,0,0,0|0,0,1]=3 273 B10R1.25 CC1=CC(C)=C(CO)N=C1 0399AB [1,1,0,0,0,0|1,0,1]=4 274 B10R1.25 CC1=CC(F)=C(NN)C=C1 6959AB [1,1,0,0,0,0|2,0,0]=4 275 B10R1.25 CC1=CC(N)=CC=C1CO 6079AJ [1,1,0,0,0,0|1,0,1]=4 276 B10R1.25 CC1=CC=C(CO)C(=O)N1 4788AB [1,1,0,0,0,0|1,0,1]=4 277 B10R1.25 CC1=CC=C(NN)C(C)=C1 1053AL [1,1,0,0,0,0|2,0,0]=4 278 B10R1.25 CC1=CC=C(NN)C(Cl)=C1 Y4636 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.25 CC1=CC=C(NN)C(F)=C1 8500AH [1,1,0,0,0,0|2,0,0]=4 280 B10R1.25 CC1=CN=C(C=O)C(C)=C1 Z0771 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.25 CC1=NC(Br)=CC=C1C=O Y4718 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.25 CC1=NC(F)=CC=C1C=O Z0986 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.25 CCC1=C(N)C=C(C)N=C1 7618AB [1,1,0,0,0,0|1,0,1]=4 284 B10R1.25 CCC1=CC=C(Br)C=C1N 3118AJ [1,1,0,0,0,0|1,0,1]=4 285 B10R1.25 CCC1=CC=C(C)C=C1C Y1729 [1,1,0,0,0,0|0,0,1]=3 286 B10R1.25 CCC1=CC=C(C)N=C1N X4575 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.25 CCC1=CN=C(C)C=C1Br 6901AC [1,1,0,0,0,0|1,0,1]=4 288 B10R1.25 CNC1=C(C)C=C(C)C=C1 3570AD [1,1,0,0,0,0|1,0,1]=4 289 B10R1.25 ClCC1=C(Cl)C=C(Br)C=C1 9687AA [1,1,0,0,0,0|2,0,0]=4 290 B10R1.25 NC1=CC=C(C=O)C(Br)=C1 X5129 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.25 NCC1=C(O)C=C(O)C=C1 9679AB [1,1,0,0,0,0|2,0,0]=4 292 B10R1.25 NCC1=CC=C(Br)C=C1Cl 8748AH [1,1,0,0,0,0|2,0,0]=4 293 B10R1.25 NCC1=CC=C(Br)C=C1O 1235AJ [1,1,0,0,0,0|2,0,0]=4 294 B10R1.25 NCC1=CC=C(Cl)C=C1F C294 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 Z3894 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.25 O=CC1=CC=C(Br)C=C1I 2692AJ [1,1,0,0,0,0|1,0,0]=3 297 B10R1.25 O=CC1=CC=C(Br)N=C1Br Z0686 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.25 O=CC1=CN=C(Br)C=C1Br 3733AA [1,1,0,0,0,0|2,0,0]=4 299 B10R1.25 O=CC1=CN=C(Cl)C=C1Br 1353AA [1,1,0,0,0,0|2,0,0]=4 300 B10R1.25 O=CC1=CN=C(F)C=C1Cl 4845AA [1,1,0,0,0,0|2,0,0]=4 301 B10R1.25 O=CC1=NC=C(Br)C=C1Br 4900AC [1,1,0,0,0,0|2,0,0]=4 302 B10R1.25 O=CC1=NC=C(Cl)C=C1Br Y3906 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.25 O=CC1=NC=C(Cl)C=C1Cl W6408 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.25 SCC1=C(Cl)C=C(Cl)C=C1 X4598 [1,1,0,0,0,0|1,1,0]=4 305 B10R1.176 CC1=C(Br)C=C(CO)N=C1 8751AH [1,1,0,0,0,0|1,0,1]=4 306 B10R1.176 CC1=C(F)C=C(CBr)C=C1 7166AA [1,1,0,0,0,0|1,0,0]=3 307 B10R1.176 CC1=C(O)C=CC(CO)=C1 9583AA [1,1,0,0,0,0|1,0,1]=4 308 B10R1.176 CC1=CC(C=O)=CN=C1Br Z0993 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.176 CC1=CC(CN)=CC=C1Br W3251 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.176 CC1=CC(CO)=CC=C1Cl Z0082 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.176 CC1=CC(CO)=CC=C1N 2117AF [1,1,0,0,0,0|1,0,1]=4 312 B10R1.176 CC1=CC=C(C=O)C=C1I 8694AB [1,1,0,0,0,0|0,0,0]=2 313 B10R1.176 CC1=CC=C(CBr)C=C1C W9680 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.176 CC1=NC(C=O)=CC=C1F 4137AC [1,1,0,0,0,0|2,0,0]=4 315 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [1,1,0,0,0,0|0,0,1]=3 316 B10R1.176 CCC1=CC(F)=C(N)C=C1 3498AA [1,1,0,0,0,0|1,0,1]=4 317 B10R1.176 CCC1=CC(N)=C(F)C=C1 7951AA [1,1,0,0,0,0|1,0,1]=4 318 B10R1.176 CCC1=CC(N)=C(N)C=C1 2716AA [1,1,0,0,0,0|1,0,1]=4 319 B10R1.176 CCC1=CC=C(N)C(O)=C1 1522AJ [1,1,0,0,0,0|1,0,1]=4 320 B10R1.176 CCC1=CN=C(C)C(Br)=C1 5301AH [1,1,0,0,0,0|1,0,1]=4 321 B10R1.176 CN1C=CC(CO)=CC1=O 9917AH [1,1,0,0,0,0|1,0,1]=4 322 B10R1.176 CNC1=CC=C(C)C(Br)=C1 2220AJ [1,1,0,0,0,0|1,0,1]=4 323 B10R1.176 FC1=C(Br)C=C(CCl)C=C1 2257AC [1,1,0,0,0,0|2,0,0]=4 324 B10R1.176 FC1=CC(CCl)=CC=C1Br Z8298 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.176 FC1=CC(CCl)=CC=C1Cl X2645 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.176 NC1=C(N)C=C(CO)C=C1 7078AE [1,1,0,0,0,0|1,0,1]=4 327 B10R1.176 NC1=CC=C(CO)C=C1Cl 1122AL [1,1,0,0,0,0|1,0,1]=4 328 B10R1.176 NCC1=CC=C(Br)C(F)=C1 1145AD [1,1,0,0,0,0|2,0,0]=4 329 B10R1.176 NCC1=CC=C(Cl)C(Br)=C1 V7987 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.176 O=CC1=CC(Br)=C(Cl)N=C1 8633AE [1,1,0,0,0,0|2,0,0]=4 331 B10R1.176 OCC1=CC(O)=C(O)C=C1 5062AB [1,1,0,0,0,0|1,0,1]=4 332 B10R1.176 OCC1=CC=C(Cl)C(O)=C1 Y3989 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.4 CC1=CC=CC=C1CNN 4794AE [1,1,0,0,0,0|2,0,0]=4 335 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [1,1,0,0,0,0|1,0,1]=4 336 B10R1.4 CCCC1=C(N)C=CC=C1 P410 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.4 N#CCC1=C(O)C=CC=C1 7309AA [1,1,0,0,0,0|1,0,1]=4 338 B10R1.4 NCCC1=CC=CC=C1O Z4391 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.4 NNCC1=CC=CC=C1Cl 4668AE [1,1,0,0,0,0|2,0,0]=4 340 B10R1.4 NOCC1=CC=CC=C1F 7325AD [1,1,0,0,0,0|2,0,0]=4 341 B10R1.4 NOCC1=CC=CC=C1I 3260AC [1,1,0,0,0,0|2,0,0]=4 342 B10R1.4 O=CCC1=CC=CC=C1F 1702AC [1,1,0,0,0,0|0,0,0]=2 343 B10R1.4 ONCC1=CC=CC=C1F Z3766 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.10 C=CCC1=CC(Br)=CC=C1 6124AD [1,1,0,0,0,0|1,0,0]=3 345 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [1,1,0,0,0,0|1,0,1]=4 346 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [1,1,0,0,0,0|1,0,1]=4 347 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [1,1,0,0,0,0|2,0,0]=4 348 B10R1.10 N#CCC1=CC(O)=CC=C1 5340AH [1,1,0,0,0,0|1,0,1]=4 349 B10R1.10 NNCC1=CC(F)=CC=C1 4670AE [1,1,0,0,0,0|2,0,0]=4 350 B10R1.10 NOCC1=CC(Cl)=CC=C1 3026AB [1,1,0,0,0,0|2,0,0]=4 351 B10R1.10 O=CNC1=NC=CC(Br)=C1 Z9862 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [1,1,0,0,0,0|1,0,1]=4 353 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [1,1,0,0,0,0|1,0,1]=4 354 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [1,1,0,0,0,0|1,0,1]=4 355 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [1,1,0,0,0,0|1,0,1]=4 356 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [1,1,0,0,0,0|1,0,1]=4 357 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [1,1,0,0,0,0|1,0,1]=4 358 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [1,1,0,0,0,0|1,0,1]=4 359 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [1,1,0,0,0,0|1,0,1]=4 362 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [1,1,0,0,0,0|1,0,1]=4 363 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [1,1,0,0,0,0|1,0,1]=4 364 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [1,1,0,0,0,0|1,0,1]=4 365 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.17 C=CCNC1=CC=CN=C1 6927AD [1,1,0,0,0,0|2,0,0]=4 367 B10R1.17 C=CCNC1=CC=NC=C1 8332AC [1,1,0,0,0,0|2,0,0]=4 368 B10R1.17 NCCSC1=CC=CC=C1 6800AD [1,1,0,0,0,0|1,0,1]=4 369 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [1,1,0,0,0,0|0,0,0]=2 370 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [1,1,0,0,0,0|1,0,0]=3 371 B10R1.17 OCCSC1=CC=CC=C1 K990 [1,1,0,0,0,0|0,0,2]=4 372 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.18 BrC(Br)=CC1=CC=CC=C1 1551AC [1,1,0,0,0,0|1,0,1]=4 374 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [1,1,0,0,0,0|1,0,0]=3 375 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [1,1,0,0,0,0|2,0,0]=4 376 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [1,1,0,0,0,0|1,0,1]=4 377 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [1,1,0,0,0,0|0,0,2]=4 378 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [1,1,0,0,0,0|1,0,0]=3 379 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [1,1,0,0,0,0|2,0,0]=4 380 B10R1.18 O=C(O)CC1=CC=NC=N1 W5433 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.18 S=C(Cl)SC1=CC=CC=C1 5446AD [1,1,0,0,0,0|1,1,0]=4 383 B10R1.54 CC1=CC=C(CC(=O)O)S1 0941AC [0,1,0,0,1,0|1,0,0]=3 384 B10R1.54 CC1=CSC(CC(N)=O)=N1 5602AD [0,1,0,0,1,0|2,0,0]=4 385 B10R1.54 CC1=NC(CC(N)=O)=CS1 6231AD [0,1,0,0,1,0|2,0,0]=4 386 B10R1.54 CC1=NN(CC(=O)O)C=C1 9479AA [0,1,0,0,1,0|2,0,0]=4 387 B10R1.54 CN1C=NC(CC(=O)O)=C1 2304AB [0,1,0,0,1,0|2,0,0]=4 388 B12R1.1 CC1=CC=C(OCCCN)C=C1 4537AE [0,2,0,0,0,0|1,0,1]=4 389 B12R1.1 CNCCOC1=CC=C(C)C=C1 6914AE [0,2,0,0,0,0|1,0,1]=4 390 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 1218AL [0,2,0,0,0,0|0,0,2]=4 391 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 5727AB [0,2,0,0,0,0|1,0,1]=4 392 B12R1.16 O=C\C=C(/Cl)C1=CC=C(Cl)C=C1 V8620 [0,2,0,0,0,0|1,0,1]=4 393 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 8896AE [0,2,0,0,0,0|2,0,0]=4 394 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2186AC [0,2,0,0,0,0|0,0,0]=2 395 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [0,2,0,0,0,0|1,0,0]=3 396 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 5859AD [0,2,0,0,0,0|2,0,0]=4 397 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 0915AF [0,2,0,0,0,0|1,0,0]=3 398 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 8152AA [0,2,0,0,0,0|1,0,1]=4 399 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [0,2,0,0,0,0|0,0,0]=2 400 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [0,2,0,0,0,0|0,0,0]=2 401 B12R1.21 CC1=CC=C(NNC(N)=S)C=C1 9022AE [0,2,0,0,0,0|1,1,0]=4 402 B12R1.21 CC1=CC=C(NNC(N)=S)C=C1 9023AE [0,2,0,0,0,0|1,1,0]=4 403 B12R1.21 CC1=CC=C(OCC(C)O)C=C1 4293AL [0,2,0,0,0,0|0,0,2]=4 404 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 3924AD [0,2,0,0,0,0|0,0,1]=3 405 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 6319AE [0,2,0,0,0,0|2,0,0]=4 406 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 0097AE [0,2,0,0,0,0|2,0,0]=4 407 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 1170AJ [0,2,0,0,0,0|2,0,0]=4 408 B12R1.21 NC(=[NH2+])SCC1=CC=C(Br)C=C1 AMTEC010 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.21 NC(=[NH2+])SCC1=CC=C(F)C=C1 AMTEC009 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 W4673 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 8075AF [0,2,0,0,0,0|1,0,0]=3 412 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [0,2,0,0,0,0|1,0,1]=4 413 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Cl)C=C1 4346AF [0,2,0,0,0,0|1,0,1]=4 414 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [0,2,0,0,0,0|1,0,1]=4 415 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 O075 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 8063AF [0,2,0,0,0,0|1,0,0]=3 417 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 5933AE [0,2,0,0,0,0|0,0,0]=2 418 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 5090AE [0,2,0,0,0,0|1,0,0]=3 419 B12R1.49 CC1=CC=C(NC(=O)CN)C=C1 5390AE [0,2,0,0,0,0|1,0,0]=3 420 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 0275AE [0,2,0,0,0,0|1,0,0]=3 421 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 E021 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.49 O=C(CCl)NC1=CC=C(I)C=C1 8505AD [0,2,0,0,0,0|2,0,0]=4 423 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 8448AE [0,2,0,0,0,0|2,0,0]=4 424 B12R1.49 O=CC(Cl)CC1=CC=C(Cl)C=C1 Y6536 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.69 CC1=CC(C)=C(OCCN)C=C1 4538AE [0,2,0,0,0,0|1,0,1]=4 426 B12R1.71 CCC1=CC=C(OCCN)C=C1 7905AE [0,2,0,0,0,0|1,0,1]=4 427 B12R1.71 CCCCC1=CC=C(CBr)C=C1 6442AL [0,2,0,0,0,0|1,0,1]=4 428 B12R1.71 CCCCC1=CC=C(CO)C=C1 X4599 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.71 CCCOC1=CC=C(CN)C=C1 7209AD [0,2,0,0,0,0|1,0,1]=4 430 B12R1.71 COC1=CC=C(CN=C=O)C=C1 5757AE [0,2,0,0,0,0|0,0,1]=3 431 B12R1.71 COC1=CC=C(OCCN)C=C1 4509AE [0,2,0,0,0,0|1,0,1]=4 432 B12R1.71 COC1=CC=C(OCCO)C=C1 5212AE [0,2,0,0,0,0|0,0,2]=4 433 B12R1.71 COC1=CC=C(\C=C\CO)C=C1 5877AD [0,2,0,0,0,0|0,0,2]=4 434 B12R1.71 CSC1=CC=C(OCC#N)C=C1 5394AJ [0,2,0,0,0,0|1,0,1]=4 435 B12R1.385 CCCOC1=CC=C(C)C(Br)=C1 Y3542 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.4 C=C(Br)CC1=CC=C(SC)C=C1 0379AF [0,2,0,0,0,0|1,0,0]=3 437 B12R1.4 C=C(C)CC1=CC=C(OC)C=C1 7091AD [0,2,0,0,0,0|1,0,0]=3 438 B12R1.4 CC(=O)CC1=CC=C(C#N)C=C1 8757AB [0,2,0,0,0,0|0,0,1]=3 439 B12R1.4 CC(=O)OC1=CC=C(CCl)C=C1 X4658 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 7067AA [0,2,0,0,0,0|0,0,0]=2 441 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 2717AL [0,2,0,0,0,0|0,0,0]=2 442 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 0374AC [0,2,0,0,0,0|2,0,0]=4 443 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 X5525 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 3012AB [0,2,0,0,0,0|1,0,0]=3 445 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 7496AE [0,2,0,0,0,0|1,0,0]=3 446 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 4244AB [0,2,0,0,0,0|0,0,1]=3 447 B12R1.19 CC(=O)NC1=CC=C(Cl)C(O)=C1 V4906 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N 5220AJ [0,2,0,0,0,0|1,0,0]=3 449 B12R1.19 N=C(N)CC1=CC(F)=C(F)C=C1 4424AC [0,2,0,0,0,0|2,0,0]=4 450 B12R1.19 NC1=CC(CC(=O)O)=CC=C1O 2074AE [0,2,0,0,0,0|1,0,0]=3 451 B12R1.20 CC(=O)C(Br)C1=CC=C(O)C=C1 6547AC [0,2,0,0,0,0|1,0,0]=3 452 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 W8302 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 5426AJ [0,2,0,0,0,0|1,0,0]=3 454 B12R1.106 O=P(O)(O)CC1=CC=C(Br)C=C1 1129AQ [0,2,0,0,0,0|2,0,0]=4 455 B12R1.233 CC(=O)CC1=CC=C(Cl)C=C1Br 5576AA [0,2,0,0,0,0|1,0,0]=3 456 B12R1.233 NC1=CC(Br)=CN=C1CC(=O)O W9147 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 5009AH [0,2,0,0,0,0|1,0,0]=3 458 B12R1.233 O=C(O)CC1=NC=C(Cl)C=C1F Z8302 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 7913AD [0,2,0,0,0,0|1,0,1]=4 460 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 X9190 [0,2,0,0,0,0|0,0,1]=3 461 B12R1.5 COC1=CC=C(C(O)CN)C=C1 8059AB [0,2,0,0,0,0|1,0,1]=4 462 B12R1.5 COC1=CC=C(N(C)C=O)C=C1 6568AL [0,2,0,0,0,0|1,0,0]=3 463 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 7517AB [0,2,0,0,0,0|0,0,1]=3 464 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 W4089 [0,2,0,0,0,0|0,0,2]=4 465 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 9751AE [0,2,0,0,0,0|1,0,1]=4 466 B12R1.12 O=CC(C=O)C1=CC=C(Br)C=C1 8520AE [0,2,0,0,0,0|1,0,0]=3 467 B12R1.12 O=CC(C=O)C1=CC=C(F)C=C1 4244AE [0,2,0,0,0,0|1,0,0]=3 468 B12R1.367 CC1=CC=C(C(N)CO)C=C1C 4968AH [0,2,0,0,0,0|0,0,2]=4 469 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 4088AE [0,2,0,0,0,0|1,0,1]=4 470 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 4966AH [0,2,0,0,0,0|0,0,2]=4 471 B12R1.114 C=CCC1=CC=C(OC)C=C1C 5471AD [0,2,0,0,0,0|1,0,0]=3 472 B12R1.114 COC1=CC=C(CC#N)C(Cl)=C1 5502AD [0,2,0,0,0,0|1,0,1]=4 473 B12R1.544 CC1=C(F)C(F)=C(CC#N)C=C1 8683AD [0,2,0,0,0,0|1,0,1]=4 474 B12R1.1095 CC1=CC(C)=C(CC#N)C(C)=C1 I156 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.1095 CC1=CC(C)=C(N=C=O)C(C)=C1 0039AP [0,2,0,0,0,0|1,0,1]=4 476 B12R1.1095 CC1=CC(C)=C(NC=O)C(C)=C1 1233AQ [0,2,0,0,0,0|1,0,0]=3 477 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 5439AB [0,2,0,0,0,0|1,0,1]=4 478 B12R1.113 CC(=O)C1=CC=C(CCCl)C=C1 8308AE [0,2,0,0,0,0|1,0,1]=4 479 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 3688AE [0,2,0,0,0,0|0,0,0]=2 480 B12R1.113 CC(C)C1=CC=C(CNN)C=C1 0542AD [0,2,0,0,0,0|2,0,0]=4 481 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 2970AF [0,2,0,0,0,0|1,0,1]=4 482 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 7699AC [0,2,0,0,0,0|1,0,1]=4 483 B12R1.113 CNCC1=CC=C(N(C)C)C=C1 7290AJ [0,2,0,0,0,0|2,0,0]=4 484 B12R1.116 C=CCC1=CC=C(OCC)C=C1 1796AE [0,2,0,0,0,0|1,0,0]=3 485 B12R1.116 C=CCC1=CC=C(SCC)C=C1 0378AF [0,2,0,0,0,0|1,0,0]=3 486 B12R1.116 CCOC1=CC=C(CNC)C=C1 V5862 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.116 ClCCC1=CC=C(CCCl)C=C1 4601AL [0,2,0,0,0,0|1,0,1]=4 488 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 9540AE [0,2,0,0,0,0|1,0,1]=4 489 B12R1.288 COC1=C(C)C=C(CC#N)C=C1 1712AC [0,2,0,0,0,0|1,0,1]=4 490 B12R1.288 COC1=C(Cl)C=C(CCN)C=C1 9277AE [0,2,0,0,0,0|1,0,1]=4 491 B12R1.288 COC1=C(Cl)C=C(N=C=O)C=C1 9115AD [0,2,0,0,0,0|1,0,1]=4 492 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [1,0,0,1,0,0|2,0,0]=4 493 B10R2.7 C1=CC=C2NC=CC2=C1 J70045 [1,0,0,1,0,0|1,0,1]=4 494 B12R2.24 CC1=CC2=C(C=C1)CNCC2 5932AB [0,1,0,1,0,0|1,0,1]=4 495 B12R2.24 CC1=CC2=C(C=C1)OCCN2 1096AC [0,1,0,1,0,0|1,0,1]=4 496 B12R2.24 CC1=CC=C2CCNCC2=C1 2952AE [0,1,0,1,0,0|1,0,1]=4 497 B12R2.24 CC1=CC=C2CNCCC2=C1 6012AH [0,1,0,1,0,0|1,0,1]=4 498 B12R2.24 N1CCCC2=C1C=C(C)C=C2 9836AL [0,1,0,1,0,0|1,0,1]=4 499 B12R2.132 CC1=CC2=C(C=C1)NN=C2Br Y9031 [0,1,0,1,0,0|2,0,0]=4 500 B12R2.132 CC1=CC2=C(C=C1)NN=C2I Y5629 [0,1,0,1,0,0|2,0,0]=4 501 B12R2.132 CC1=CC=C2SC=C(C)C2=C1 Z5484 [0,1,0,1,0,0|1,0,1]=4 502 B12R2.132 O=C1NOC2=C1C=C(Cl)C=C2 1873AB [0,1,0,1,0,0|2,0,0]=4 503 B12R2.132 O=C1NOC2=CC=C(F)C=C12 Z5428 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.606 CC1=CC2=C(C=C1)SC(Br)=N2 7891AJ [0,1,0,1,0,0|2,0,0]=4 505 B12R2.606 CC1=CC=C2NC(=O)OC2=C1 7799AD [0,1,0,1,0,0|1,0,0]=3 506 B12R2.606 CC1=CC=C2OC(Cl)=NC2=C1 Y8920 [0,1,0,1,0,0|2,0,0]=4 507 B12R2.606 O=C1CC2=C(C=C(Cl)C=N2)N1 6528AA [0,1,0,1,0,0|2,0,0]=4 508 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 V2187 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 V2411 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 X6129 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.606 O=C1CC2=CC=C(O)C=C2O1 W1997 [0,1,0,1,0,0|1,0,0]=3 512 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 0047AA [0,1,0,1,0,0|2,0,0]=4 513 B12R2.606 O=C1NC2=C(C=C(I)C=C2)O1 6712AD [0,1,0,1,0,0|2,0,0]=4 514 B12R2.606 O=C1NC2=C(C=C(O)C=C2)O1 5997AH [0,1,0,1,0,0|2,0,0]=4 515 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 2094AC [0,1,0,1,0,0|2,0,0]=4 516 B12R2.606 S=C1CC2=CC=C(Br)C=C2N1 3437AJ [0,1,0,1,0,0|1,1,0]=4 517 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 9971AH [0,1,0,1,0,0|1,0,1]=4 518 B12R2.612 CC1=CC2=C(C=C1)C(O)CC2 3976AB [0,1,0,1,0,0|1,0,1]=4 519 B12R2.246 CC1=CC2=C(C=CN2)C(Br)=C1 4346AC [0,1,0,1,0,0|1,0,1]=4 520 B12R2.246 CC1=CC2=C(C=CN2)C(C)=C1 1804AC [0,1,0,1,0,0|1,0,1]=4 521 B12R2.246 CC1=CC2=C(C=CN2)C(O)=C1 9236AB [0,1,0,1,0,0|1,0,1]=4 522 B12R2.246 CC1=CC2=C(NC=C2)C(Br)=C1 0612AQ [0,1,0,1,0,0|2,0,0]=4 523 B12R2.44 BrCC1=CC=C2OC=CC2=C1 6275AJ [0,1,0,1,0,0|2,0,0]=4 524 B12R2.44 CNC1=CC2=C(C=C1)CCC2 4154AJ [0,1,0,1,0,0|1,0,1]=4 525 B12R2.44 COC1=CC2=C(C=C1)CNC2 1266AA [0,1,0,1,0,0|2,0,0]=4 526 B12R2.44 COC1=CC2=C(C=C1)CNC2 X9691 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.44 COC1=CC2=C(C=C1)OC=C2 6140AA [0,1,0,1,0,0|2,0,0]=4 528 B12R2.44 COC1=CC2=C(C=C1)OC=N2 5948AA [0,1,0,1,0,0|2,0,0]=4 529 B12R2.44 COC1=CC2=C(C=C1)SC=C2 Y1904 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.44 COC1=CC2=C(C=CC2)C=C1 4207AB [0,1,0,1,0,0|1,0,1]=4 531 B12R2.44 COC1=CC2=C(C=CS2)C=C1 5075AC [0,1,0,1,0,0|0,1,1]=4 532 B12R2.44 COC1=CC=C2CC=CC2=C1 4206AB [0,1,0,1,0,0|1,0,0]=3 533 B12R2.44 COC1=CC=C2CCNC2=C1 3570AJ [0,1,0,1,0,0|1,0,1]=4 534 B12R2.44 CSC1=CC2=C(C=C1)NC=C2 2950AL [0,1,0,1,0,0|2,0,0]=4 535 B12R2.44 NCC1=CC2=C(C=C1)COC2 9619AH [0,1,0,1,0,0|2,0,0]=4 536 B12R2.44 NCC1=CC=C2OC=CC2=C1 Y8924 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.44 NCC1=CC=C2SC=CC2=C1 Y9486 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.44 OCC1=CC2=C(C=C1)CCC2 3229AJ [0,1,0,1,0,0|1,0,1]=4 539 B12R2.44 OCC1=CC2=C(C=C1)NC=C2 V0759 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.44 OCC1=CC2=C(C=C1)SC=N2 5155AB [0,1,0,1,0,0|2,0,0]=4 541 B12R2.44 OCC1=CC=C2SC=CC2=C1 Y8181 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.82 CC1=C(O)C2=C(C=C1)CCC2 0400AB [0,1,0,1,0,0|1,0,1]=4 543 B12R2.82 CC1=CC=C2NC=CC2=C1Br 9141AB [0,1,0,1,0,0|2,0,0]=4 544 B12R2.100 CC1=CC2=C(C=C1F)NC=C2 8212AA [0,1,0,1,0,0|2,0,0]=4 545 B12R2.100 CC1=CC2=C(C=CO2)C=C1Br 1113AB [0,1,0,1,0,0|0,0,2]=4 546 B8R1.1 CC1=CC=C(CCl)S1 4231AB [1,0,0,0,1,0|2,0,0]=4 547 B8R1.1 CC1=CC=C(CN)S1 V3761 [1,0,0,0,1,0|2,0,0]=4 548 B8R1.1 CC1=CC=C(CN)S1 Z2080 [1,0,0,0,1,0|2,0,0]=4 549 B8R1.1 CC1=CC=C(CO)S1 V7056 [1,0,0,0,1,0|1,0,1]=4 550 B8R1.1 CC1=CNC(CO)=C1 4693AD [1,0,0,0,1,0|1,0,1]=4 551 B8R1.1 CC1=CSC(CN)=C1 Y6895 [1,0,0,0,1,0|2,0,0]=4 552 B8R1.1 CC1=NC=C(C=O)O1 4199AC [1,0,0,0,1,0|2,0,0]=4 553 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [1,0,0,0,1,0|2,0,0]=4 554 B8R1.1 CCC1=CC=C(C)O1 8739AA [1,0,0,0,1,0|1,0,1]=4 555 B8R1.1 O=CC1=CC(Cl)=CS1 8472AB [1,0,0,0,1,0|2,0,0]=4 556 B8R1.1 O=CC1=CC=C(I)S1 7666AB [1,0,0,0,1,0|2,0,0]=4 557 B8R1.1 O=CC1=CSC(Br)=C1 9797AA [1,0,0,0,1,0|2,0,0]=4 558 B8R1.1 O=CC1=CSC(Cl)=C1 4568AB [1,0,0,0,1,0|2,0,0]=4