0 B10R1.17 BrCCSC1=CC=CC=C1 5534AL [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 C#CCOC1=CC=CC=C1 3952AD [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 C=CCSC1=CC=CC=C1 7036AL [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 C=COCC1=CC=CC=C1 1335AL [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 CCOCC1=CC=CC=C1 S562 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.17 CNCCC1=CC=NC=C1 5553AE [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 COCSC1=CC=CC=C1 8208AL [0,0,0,0,0,0|1,0,0]=1 7 B10R1.17 ClCC#CC1=CC=CC=C1 U705 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 ClCSCC1=CC=CC=C1 2470AE [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 NCCCC1=CC=CN=C1 X2118 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 NCCCC1=CC=NC=C1 3209AB [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 NCCOC1=NC=CC=C1 W5199 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.17 NNCCC1=CC=CC=C1 4752AE [0,0,0,0,0,0|2,0,0]=2 13 B10R1.17 OCCNC1=CC=CC=C1 V7623 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 BrCCC1=NC=CC=C1 W8132 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 BrCC[N+]1=CC=CC=C1 V0516 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 C=COC1=CC=CC=C1 1277AQ [1,0,0,0,0,0|1,0,2]=4 17 B9R1.8 CC#CC1=CC=CC=C1 4952AL [1,0,0,0,0,0|0,0,2]=3 18 B9R1.8 CCCC1=NC=CC=C1 C946 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 CCCC1=NC=CN=C1 6087AD [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CCNC1=CC=CC=N1 5047AL [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 CCOC1=NN=CC=C1 W7464 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 COCC1=CC=CN=C1 5231AH [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 COCC1=CC=NC=C1 5493AH [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 COCC1=NC=CC=C1 V2195 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 CSCC1=CC=CC=C1 7914AF [1,0,0,0,0,0|0,1,0]=2 27 B9R1.8 C\C=C/C1=CC=CC=C1 7457AL [1,0,0,0,0,0|0,0,2]=3 28 B9R1.8 C\N=C\C1=CC=CC=C1 R179 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 ClCCC1=NC=CC=C1 W3687 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 ICCC1=CC=CC=C1 4037AL [1,0,0,0,0,0|1,0,0]=2 31 B9R1.8 N#COC1=CC=CC=C1 3790AL [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 NCCC1=CC=CC=C1 5784AL [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 NCCC1=CC=CN=C1 9756AD [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 NCCC1=CC=CN=C1 W8702 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 NCCC1=CC=NC=C1 W7604 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 NNCC1=CC=NC=C1 2364AF [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 N\N=C\C1=CC=CC=C1 7871AF [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 O=S=NC1=CC=CC=C1 8948AJ [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 OCCC1=CC=CC=C1 V0900 [1,0,0,0,0,0|0,0,0]=1 40 B9R1.8 OCCC1=CC=CN=C1 Y9667 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.8 OCCC1=CC=NC=C1 6680AL [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 ONCC1=CC=CC=C1 9353AB [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 O\N=C\C1=NC=CC=C1 W9914 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 Y9586 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 [CH2][CH][CH]C1=CC=CC=C1 8736AL [1,0,0,0,0,0|0,0,3]=4 46 B11R1.1 BrCCOC1=CC=C(Br)C=C1 Z0310 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.1 C=CCCC1=CC=C(F)C=C1 7681AD [0,1,0,0,0,0|1,0,1]=3 48 B11R1.1 C=CCOC1=CC=C(C)C=C1 7037AL [0,1,0,0,0,0|2,0,1]=4 49 B11R1.1 CC1=CC=C(CN=C=O)C=C1 5756AE [0,1,0,0,0,0|3,0,0]=4 50 B11R1.1 CC1=CC=C(CN=C=S)C=C1 Y8894 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.1 CC1=CC=C(OCCN)C=C1 Y8506 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.1 CC1=CC=C(OCCO)C=C1 7911AL [0,1,0,0,0,0|3,0,0]=4 53 B11R1.1 CC1=CC=C(SCC#N)C=C1 1025AB [0,1,0,0,0,0|3,0,0]=4 54 B11R1.1 CCCCC1=CC=C(Cl)C=C1 4800AL [0,1,0,0,0,0|1,0,0]=2 55 B11R1.1 CCCOC1=CC=C(Br)C=C1 Z0571 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.1 CCCOC1=NC=C(Cl)C=C1 Y3728 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.1 CCNCC1=CC=C(Cl)C=C1 7274AJ [0,1,0,0,0,0|2,0,0]=3 58 B11R1.1 CCNCC1=CC=C(Cl)C=C1 7613AC [0,1,0,0,0,0|2,0,0]=3 59 B11R1.1 CNCCC1=CC=C(Cl)C=C1 2068AE [0,1,0,0,0,0|1,0,0]=2 60 B11R1.1 CNCCC1=CC=C(O)C=C1 R512 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.1 ClC1=CC=C(CCCBr)C=C1 V7097 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 7334AE [0,1,0,0,0,0|2,0,0]=3 63 B11R1.1 FC1=CC=C(OCCBr)C=C1 0479AE [0,1,0,0,0,0|3,0,0]=4 64 B11R1.1 N#CCCC1=CC=C(Br)C=C1 8533AB [0,1,0,0,0,0|2,0,0]=3 65 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 0196AE [0,1,0,0,0,0|2,0,0]=3 66 B11R1.1 N#CCOC1=CC=C(Br)C=C1 V5695 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.1 N#CCSC1=CC=C(Cl)C=C1 6217AD [0,1,0,0,0,0|3,0,0]=4 68 B11R1.1 N#CSCC1=CC=C(Cl)C=C1 7087AD [0,1,0,0,0,0|3,0,0]=4 69 B11R1.1 N(CC)CC1=CC=C(F)C=C1 7275AJ [0,1,0,0,0,0|2,0,0]=3 70 B11R1.1 NCCOC1=CC=C(Cl)C=C1 V4925 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.1 NCCOC1=CC=C(F)C=C1 Y9609 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.1 O=CCCC1=CC=C(Br)C=C1 2565AC [0,1,0,0,0,0|2,0,0]=3 73 B11R1.1 O=CCCC1=CC=C(F)C=C1 W7539 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.1 OCCCC1=CC=C(O)C=C1 W2096 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.1 OCCOC1=CC=C(Br)C=C1 V5363 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.1 OCCSC1=CC=C(Cl)C=C1 6217AA [0,1,0,0,0,0|3,0,0]=4 77 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [0,1,0,0,0,0|1,0,1]=3 78 B11R1.16 CCCC(=O)C1=CC=NC=C1 8728AA [0,1,0,0,0,0|2,0,1]=4 79 B11R1.16 CCCC(=O)C1=CN=CC=C1 8727AA [0,1,0,0,0,0|2,0,1]=4 80 B11R1.16 CCCC(=O)C1=NC=CC=C1 V4534 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.16 CCCC(O)C1=CC=CC=C1 4946AL [0,1,0,0,0,0|1,0,0]=2 82 B11R1.16 CCO[P+](=O)C1=CC=CC=C1 1965AB [0,1,0,0,0,0|3,0,0]=4 83 B11R1.16 CN(CCN)C1=CC=CC=C1 3619AL [0,1,0,0,0,0|3,0,0]=4 84 B11R1.16 CNCC(O)C1=CC=CC=C1 7554AE [0,1,0,0,0,0|1,0,0]=2 85 B11R1.16 CNOC(=O)C1=CC=CC=C1 8702AL [0,1,0,0,0,0|2,0,1]=4 86 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 8510AJ [0,1,0,0,0,0|3,0,0]=4 87 B11R1.16 N#CCC(O)C1=CC=CC=C1 5339AH [0,1,0,0,0,0|2,0,0]=3 88 B11R1.16 NCCC(O)C1=CC=CC=C1 6964AB [0,1,0,0,0,0|2,0,0]=3 89 B11R1.17 C=CCOC1=C(C)C=CC=C1 7034AL [0,1,0,0,0,0|2,0,1]=4 90 B11R1.17 CC1=C(CN=C=S)C=CC=C1 5365AD [0,1,0,0,0,0|3,0,0]=4 91 B11R1.17 CC1=CC=CC=C1OCC#N W6590 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.17 CCCCC1=C(Br)C=NC=N1 V6044 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.17 CCCNC1=C(Cl)C=CC=C1 8047AB [0,1,0,0,0,0|2,0,0]=3 94 B11R1.17 CCCOC1=CC=CC=C1F V4197 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.17 CCCOC1=CC=CC=C1O 9496AB [0,1,0,0,0,0|2,0,0]=3 96 B11R1.17 CCCOC1=NC=CC=C1Br V7645 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.17 CCCOC1=NC=CC=C1I W9297 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.17 FC1=C(CN=C=S)C=CC=C1 7326AE [0,1,0,0,0,0|3,0,0]=4 99 B11R1.17 N#CCOC1=C(F)C=CC=C1 5562AJ [0,1,0,0,0,0|3,0,0]=4 100 B11R1.17 NCCOC1=CC=CC=C1F Z8222 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.17 O=CCCC1=CC=CC=C1F W3826 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.17 OCCCC1=CC=CC=C1Cl V6977 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.24 CC1=CC(CN=C=S)=CC=C1 1791AE [0,1,0,0,0,0|3,0,0]=4 104 B11R1.24 CC1=CC(OCCN)=CC=C1 7393AE [0,1,0,0,0,0|3,0,0]=4 105 B11R1.24 CC1=CC=CC(CCCO)=N1 6752AE [0,1,0,0,0,0|3,0,0]=4 106 B11R1.24 CCCNC1=NC(Br)=CC=C1 Z7608 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.24 CCCOC1=CC(Br)=CC=C1 Z0201 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.24 CCCOC1=CC(C)=CC=C1 V5255 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.24 CCCOC1=CN=CC(Br)=C1 V5553 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.24 CCNCC1=CC(O)=CC=C1 5753AJ [0,1,0,0,0,0|2,0,0]=3 111 B11R1.24 CCNCC1=CC=CC(Br)=C1 7269AJ [0,1,0,0,0,0|2,0,0]=3 112 B11R1.24 CCNCC1=CC=CC(F)=C1 V8908 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.24 CCOCC1=CC(Cl)=CC=C1 V7289 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.24 COCOC1=CC=CC(F)=C1 5292AA [0,1,0,0,0,0|1,0,0]=2 115 B11R1.24 FC1=CC=CC(CN=C=S)=C1 7121AE [0,1,0,0,0,0|3,0,0]=4 116 B11R1.24 N#CCCC1=CC=CC(Br)=C1 1944AE [0,1,0,0,0,0|2,0,0]=3 117 B11R1.24 N#CCOC1=CC=CC(Br)=C1 V9591 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.24 NC1=CC=CC(OCCO)=C1 4547AE [0,1,0,0,0,0|3,0,0]=4 119 B11R1.24 OCCCC1=CC=CC(Br)=C1 V7142 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.28 C=CCC#CC1=CC=CC=C1 1010AQ [0,1,0,0,0,0|1,0,2]=4 121 B11R1.28 C=CCNCC1=CC=CC=C1 3700AL [0,1,0,0,0,0|1,0,1]=3 122 B11R1.28 C=CCOCC1=CC=CC=C1 3133AL [0,1,0,0,0,0|1,0,1]=3 123 B11R1.28 CCCC#CC1=CC=CC=C1 4951AL [0,1,0,0,0,0|1,0,1]=3 124 B11R1.28 CCCCCC1=CC=NC=C1 3027AB [0,1,0,0,0,0|2,0,0]=3 125 B11R1.28 CCCCCC1=NC=CC=C1 S154 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.28 CNCCOC1=CC=CC=C1 0730AF [0,1,0,0,0,0|1,0,0]=2 127 B11R1.28 ClCCCCC1=CC=CC=C1 4817AL [0,1,0,0,0,0|1,0,0]=2 128 B11R1.28 ClCCCCC1=CC=NC=C1 7448AA [0,1,0,0,0,0|2,0,0]=3 129 B11R1.28 NCCCCC1=CC=CC=C1 9681AD [0,1,0,0,0,0|1,0,0]=2 130 B11R1.28 O=CCCCC1=CC=CC=C1 6150AD [0,1,0,0,0,0|1,0,1]=3 131 B11R1.28 O=CNCCC1=CC=CC=C1 1248AQ [0,1,0,0,0,0|1,0,1]=3 132 B11R1.28 OCCCNC1=CC=CC=C1 5828AL [0,1,0,0,0,0|2,0,0]=3 133 B11R1.40 CC(CO)OC1=CC=CC=C1 5778AL [0,1,0,0,0,0|3,0,0]=4 134 B11R1.40 CNC(=O)CC1=CC=CC=C1 8080AE [0,1,0,0,0,0|1,0,1]=3 135 B11R1.40 CNC(C)CC1=NC=CC=C1 5554AE [0,1,0,0,0,0|2,0,0]=3 136 B11R1.40 COC(=O)CC1=CC=CN=C1 X5277 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.40 COC(=O)CC1=CN=CC=N1 4720AB [0,1,0,0,0,0|2,0,1]=4 138 B11R1.40 COC(=O)CC1=NC=CC=N1 9043AB [0,1,0,0,0,0|2,0,1]=4 139 B11R1.40 N\C(CC1=CC=CC=C1)=N/O 6479AD [0,1,0,0,0,0|2,0,1]=4 140 B11R1.91 C=C(C)OCC1=CC=CC=C1 7143AL [0,1,0,0,0,0|2,0,0]=3 141 B11R1.91 CC(=O)C#CC1=CC=CC=C1 W3943 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.91 CC(=O)CSC1=CC=CC=C1 4421AE [0,1,0,0,0,0|2,0,0]=3 143 B11R1.91 CC(=O)NCC1=CC=NC=C1 8097AD [0,1,0,0,0,0|3,0,0]=4 144 B11R1.91 CC(C)CCC1=CC=CC=C1 5880AF [0,1,0,0,0,0|1,0,0]=2 145 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,1,0,0,0,0|3,0,0]=4 146 B11R1.91 N=C(N)NCC1=CC=CC=C1 8483AD [0,1,0,0,0,0|3,0,0]=4 147 B11R1.91 NC(=O)COC1=CC=CC=C1 6854AE [0,1,0,0,0,0|3,0,0]=4 148 B11R1.91 NC(=S)COC1=CC=CC=C1 9422AJ [0,1,0,0,0,0|3,0,0]=4 149 B11R1.91 O=C(O)CCC1=CC=NC=C1 Y9675 [0,1,0,0,0,0|3,0,0]=4 150 B11R2.1 CC1=CCC2=C1C=CC=C2 1962AC [0,0,0,1,0,0|1,0,1]=3 151 B11R2.1 CC1=COC2=CC=CC=C12 W4465 [0,0,0,1,0,0|2,0,1]=4 152 B11R2.1 CC1=CSC2=CC=CC=C12 I293 [0,0,0,1,0,0|2,0,1]=4 153 B11R2.1 CC1=NNC2=C1C=CC=C2 W5365 [0,0,0,1,0,0|3,0,0]=4 154 B11R2.1 CC1=NOC2=CC=CC=C21 Z4787 [0,0,0,1,0,0|3,0,0]=4 155 B11R2.1 CN1N=CC2=C1C=CC=C2 Z9755 [0,0,0,1,0,0|2,0,1]=4 156 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [0,0,0,1,0,0|2,0,0]=3 157 B11R2.1 NC1=NCC2=C1C=CC=C2 2334AL [0,0,0,1,0,0|3,0,0]=4 158 B11R2.1 NN1CCC2=C1C=CC=C2 3264AF [0,0,0,1,0,0|2,0,0]=3 159 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 X8642 [0,0,0,1,0,0|2,0,0]=3 160 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 Z4595 [0,0,0,1,0,0|2,0,0]=3 161 B11R2.1 O=C1CCC2=C1C=CN=C2 4302AB [0,0,0,1,0,0|3,0,0]=4 162 B11R2.1 O=C1CCC2=CC=CN=C12 W5328 [0,0,0,1,0,0|3,0,0]=4 163 B11R2.1 O=C1CCC2=NC=CC=C12 W5126 [0,0,0,1,0,0|3,0,0]=4 164 B11R2.1 O=C1CSC2=CC=CC=C12 X9761 [0,0,0,1,0,0|3,0,0]=4 165 B11R2.1 OC1CCC2=CC=CN=C21 W6188 [0,0,0,1,0,0|3,0,0]=4 166 B11R2.4 NC1CC1C2=CC=CC=C2 5104AH [0,0,0,1,0,0|2,0,0]=3 167 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [0,0,0,1,0,0|2,0,0]=3 168 B11R2.20 C1=CC2=C(C=C1)CC=CC2 U920 [0,0,0,1,0,0|1,0,1]=3 169 B11R2.20 C1=CC2=C(C=C1)CCC=C2 5653AF [0,0,0,1,0,0|1,0,1]=3 170 B11R2.20 C1=CC2=C(C=C1)NCCN2 W5637 [0,0,0,1,0,0|3,0,0]=4 171 B11R2.20 C1=CC2=C(C=C1)OCCC2 V6174 [0,0,0,1,0,0|2,0,0]=3 172 B11R2.20 C1=CC2=C(C=N1)CCCN2 X9942 [0,0,0,1,0,0|3,0,0]=4 173 B11R2.20 C1=CC2=C(C=N1)CNCC2 X9919 [0,0,0,1,0,0|2,0,0]=3 174 B11R2.20 C1=CC2=C(CCCN2)N=C1 6807AA [0,0,0,1,0,0|3,0,0]=4 175 B11R2.20 C1=CC2=C(CCNC2)N=C1 4253AB [0,0,0,1,0,0|2,0,0]=3 176 B11R2.20 C1=CC2=C(CCNC2)N=C1 X9281 [0,0,0,1,0,0|2,0,0]=3 177 B11R2.20 C1=CC2=C(CNCC2)N=C1 4315AB [0,0,0,1,0,0|2,0,0]=3 178 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z4118 [0,0,0,1,0,0|3,0,0]=4 179 B11R2.20 C1=CC=C2SCCNC2=C1 X7913 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.20 C1=NC=NC2=C1CNCC2 W3415 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.238 C1=CC=C(NC2CC2)C=C1 Z3373 [0,0,0,1,0,0|2,0,0]=3 182 B11R2.239 C1=CC(C2CNC2)=CN=C1 4511AA [0,0,0,1,0,0|2,0,0]=3 183 B9R1.12 CCCCC1=CC=CS1 Z5462 [0,0,0,0,1,0|2,0,0]=3 184 B9R1.12 CCCCN1C=CC=N1 Z0656 [0,0,0,0,1,0|3,0,0]=4 185 B9R1.12 CCNCC1=CC=CS1 V6759 [0,0,0,0,1,0|3,0,0]=4 186 B9R1.12 CCOCC1=CC=CO1 Z4965 [0,0,0,0,1,0|3,0,0]=4 187 B9R1.12 OCCCC1=CC=CS1 X0200 [0,0,0,0,1,0|3,0,0]=4 188 B9R1.12 OCCCC1=CSC=C1 5648AJ [0,0,0,0,1,0|3,0,0]=4 189 B8R0.4 CCC\C=C\C=C\CO Z4325 [1,0,1,0,0,0|1,0,1]=4 190 B8R1.2 BrCC1=CC=NC=C1 Y7030 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.2 COC1=CC=NC=N1 Y3333 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.2 COC1=CCC=CC1 Y5373 [2,0,0,0,0,0|0,0,2]=4 193 B8R1.2 COC1=CN=CN=C1 W5346 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.2 CSC1=NC=CC=C1 L314 [2,0,0,0,0,0|1,1,0]=4 195 B8R1.2 Cl[Hg]C1=CC=CC=C1 7627AF [2,0,0,0,0,0|2,0,0]=4 196 B8R1.2 N#CC1=CC=CC=C1 E085 [2,0,0,0,0,0|1,0,1]=4 197 B8R1.2 NCC1=CC=NC=C1 Z3385 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 OCC1=CC=NC=N1 W5525 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 OCC1=CN=CN=C1 W4842 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.2 OCC1=CN=NC=C1 7045AB [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 OCC1=NC=CC=N1 W6241 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.1 CC1=CC=C(CCBr)C=C1 W7663 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.1 CC1=CC=C(CCN)C=C1 1184AJ [1,1,0,0,0,0|1,0,0]=3 204 B10R1.1 CCCC1=CC=C(Cl)C=C1 5012AE [1,1,0,0,0,0|0,0,0]=2 205 B10R1.1 CCCC1=CN=C(Cl)N=C1 7472AD [1,1,0,0,0,0|2,0,0]=4 206 B10R1.1 CCOC1=CN=C(Br)C=C1 V5913 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.1 CCOC1=NC=C(F)C=C1 3377AC [1,1,0,0,0,0|2,0,0]=4 208 B10R1.1 CCSC1=CC=C(Br)C=C1 9641AD [1,1,0,0,0,0|1,0,0]=3 209 B10R1.1 CNCC1=CC=C(Br)C=C1 7292AJ [1,1,0,0,0,0|1,0,0]=3 210 B10R1.1 CNCC1=CC=C(C)C=C1 7294AJ [1,1,0,0,0,0|1,0,0]=3 211 B10R1.1 CNCC1=CC=C(C)C=C1 W7964 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.1 CNCC1=CC=C(Cl)C=C1 7293AJ [1,1,0,0,0,0|1,0,0]=3 213 B10R1.1 COCC1=CC=C(Br)C=C1 Z0209 [1,1,0,0,0,0|0,0,0]=2 214 B10R1.1 COCC1=CC=C(N)C=C1 V7837 [1,1,0,0,0,0|0,0,0]=2 215 B10R1.1 CSCC1=CN=C(Cl)C=C1 7608AC [1,1,0,0,0,0|1,1,0]=4 216 B10R1.1 N#CCC1=CC=C(I)C=C1 X2663 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.1 N#CCC1=CC=C(N)C=C1 4180AB [1,1,0,0,0,0|1,0,1]=4 218 B10R1.1 NCCC1=CC=C(Br)C=C1 0590AB [1,1,0,0,0,0|1,0,0]=3 219 B10R1.1 NNCC1=CC=C(Br)C=C1 3948AE [1,1,0,0,0,0|2,0,0]=4 220 B10R1.1 NNCC1=CC=C(F)C=C1 Z3849 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.1 NOCC1=CC=C(F)C=C1 9348AA [1,1,0,0,0,0|1,0,0]=3 222 B10R1.1 O=CCC1=CC=C(Br)C=C1 W5028 [1,1,0,0,0,0|0,0,2]=4 223 B10R1.1 O=CCC1=CC=C(Cl)C=C1 W6225 [1,1,0,0,0,0|0,0,2]=4 224 B10R1.1 O=CCC1=CC=C(F)C=C1 8959AA [1,1,0,0,0,0|0,0,2]=4 225 B10R1.1 OC1=CC=C(CCBr)C=C1 6870AA [1,1,0,0,0,0|1,0,0]=3 226 B10R1.1 OCCC1=CC=C(Cl)N=C1 1226AJ [1,1,0,0,0,0|1,0,0]=3 227 B10R1.1 OCCC1=CC=C(I)C=C1 W6745 [1,1,0,0,0,0|0,0,0]=2 228 B10R1.1 OCCC1=NC=C(Br)C=C1 3590AA [1,1,0,0,0,0|1,0,0]=3 229 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.4 C=CCC1=C(C)C=CC=C1 7968AA [1,1,0,0,0,0|0,0,2]=4 231 B10R1.4 CC1=CC=CC=C1CCN S579 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.4 CCCC1=CC=NC=C1C 1078AE [1,1,0,0,0,0|1,0,0]=3 233 B10R1.4 CCCC1=NC=CN=C1C 5716AL [1,1,0,0,0,0|2,0,0]=4 234 B10R1.4 CCNC1=CC=CC=C1F 8903AD [1,1,0,0,0,0|1,0,0]=3 235 B10R1.4 CCOC1=C(Br)C=CC=N1 8550AB [1,1,0,0,0,0|2,0,0]=4 236 B10R1.4 CCOC1=C(Cl)C=CC=C1 9221AB [1,1,0,0,0,0|1,0,0]=3 237 B10R1.4 CCOC1=C(I)C=CC=N1 9446AE [1,1,0,0,0,0|2,0,0]=4 238 B10R1.4 CCOC1=C(N)C=CN=C1 Z5305 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.4 CCOC1=C(N)C=NC=C1 W3561 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.4 CCOC1=C(N)N=CC=C1 7078AC [1,1,0,0,0,0|2,0,0]=4 241 B10R1.4 CCOC1=CC=CC=C1F Z0605 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.4 CCOC1=CC=CC=C1N 8719AL [1,1,0,0,0,0|1,0,0]=3 243 B10R1.4 CNCC1=C(C)N=CC=C1 5583AJ [1,1,0,0,0,0|2,0,0]=4 244 B10R1.4 CNCC1=C(O)C=CC=C1 5657AL [1,1,0,0,0,0|1,0,0]=3 245 B10R1.4 CNCC1=CC=CC=C1F W6033 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.4 COCC1=C(O)C=CC=C1 5292AJ [1,1,0,0,0,0|0,0,0]=2 247 B10R1.4 COCC1=CC=CC=C1Br Z0660 [1,1,0,0,0,0|0,0,0]=2 248 B10R1.4 ClC1=C(CCBr)C=CC=C1 8570AA [1,1,0,0,0,0|1,0,0]=3 249 B10R1.4 FC1=CC=CC=C1CCBr W9375 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.4 N#CCC1=C(N)C=CC=C1 5596AB [1,1,0,0,0,0|1,0,1]=4 251 B10R1.4 NCCC1=CC=CC=C1Br Z8825 [1,1,0,0,0,0|1,0,0]=3 252 B10R1.4 NCCC1=CC=CC=C1N X9142 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.4 NNCC1=CC=CC=C1F 9039AF [1,1,0,0,0,0|2,0,0]=4 254 B10R1.4 O\N=C\C1=CC=CC=C1Cl 1838AE [1,1,0,0,0,0|1,0,1]=4 255 B10R1.10 BrCCC1=CC=CC(Br)=C1 1605AL [1,1,0,0,0,0|1,0,0]=3 256 B10R1.10 C=CCC1=CC(F)=CC=C1 9816AD [1,1,0,0,0,0|0,0,2]=4 257 B10R1.10 C=CCC1=CC=CC(Cl)=C1 2150AE [1,1,0,0,0,0|0,0,2]=4 258 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [1,1,0,0,0,0|0,0,0]=2 259 B10R1.10 CCCC1=CC(N)=NC=C1 2922AJ [1,1,0,0,0,0|1,0,0]=3 260 B10R1.10 CCCC1=CC=CC(N)=N1 5785AB [1,1,0,0,0,0|1,0,0]=3 261 B10R1.10 CCNC1=CC=CC(O)=C1 9329AB [1,1,0,0,0,0|1,0,0]=3 262 B10R1.10 CCOC1=CC=CC(Br)=N1 Y5031 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.10 CCOC1=CN=CC(Br)=C1 Z0262 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.10 CCOC1=NC=CC(Br)=C1 Z0708 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.10 CCSC1=CC(Br)=CC=C1 V3919 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.10 CNCC1=CC(Br)=CN=C1 W8153 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.10 CNCC1=CC=CC(Br)=C1 7287AJ [1,1,0,0,0,0|1,0,0]=3 268 B10R1.10 CNCC1=CC=CC(C)=C1 5109AB [1,1,0,0,0,0|1,0,0]=3 269 B10R1.10 CNCC1=CC=CC(Cl)=C1 7403AJ [1,1,0,0,0,0|1,0,0]=3 270 B10R1.10 COCC1=CC(Br)=CC=C1 Z0210 [1,1,0,0,0,0|0,0,0]=2 271 B10R1.10 COCC1=CC(N)=CC=C1 V6465 [1,1,0,0,0,0|0,0,0]=2 272 B10R1.10 ClC1=CC(CCBr)=CC=C1 4892AJ [1,1,0,0,0,0|1,0,0]=3 273 B10R1.10 N#CCC1=CC(I)=CC=C1 5596AA [1,1,0,0,0,0|1,0,1]=4 274 B10R1.10 N#CCC1=CC=CC(N)=C1 Z4772 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.10 NC1=CC(CCO)=CC=C1 7359AB [1,1,0,0,0,0|0,0,0]=2 276 B10R1.10 NCCC1=CC=CC(Br)=C1 V4368 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.10 NNCC1=CC(Cl)=CC=C1 7157AB [1,1,0,0,0,0|2,0,0]=4 278 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.10 NOCC1=CC=CC(F)=C1 7198AB [1,1,0,0,0,0|1,0,0]=3 280 B10R1.10 OCCC1=CC(O)=CC=C1 X9865 [1,1,0,0,0,0|0,0,0]=2 281 B10R1.10 OCCC1=CC=CC(Cl)=C1 X8323 [1,1,0,0,0,0|0,0,0]=2 282 B10R1.10 OCCC1=NC(Br)=CC=C1 X5060 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [1,1,0,0,0,0|0,0,1]=3 284 B10R1.15 CC(CBr)C1=CC=CC=C1 Y3159 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.15 CC(CN)C1=CC=CC=C1 W4299 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.15 CCC(=O)C1=CC=CN=C1 Y5018 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.15 CCC(=O)C1=NC=CC=C1 Y6177 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.15 CCC(C)C1=NC=CN=C1 R546 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.15 CCC(N)C1=CC=NC=C1 4998AJ [1,1,0,0,0,0|1,0,0]=3 290 B10R1.15 CCC(N)C1=NC=CC=C1 4914AJ [1,1,0,0,0,0|1,0,0]=3 291 B10R1.15 CCN(C)C1=CC=CC=C1 W7366 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.15 CCN(C)C1=CC=CC=N1 5048AL [1,1,0,0,0,0|2,0,0]=4 293 B10R1.15 CCN(N)C1=CC=CC=C1 4841AL [1,1,0,0,0,0|1,0,0]=3 294 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [1,1,0,0,0,0|0,0,0]=2 295 B10R1.15 CNC(C)C1=CC=CC=C1 V5180 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.15 CNC(C)C1=CC=CN=C1 0995AD [1,1,0,0,0,0|2,0,0]=4 297 B10R1.15 CNC(C)C1=CC=NC=C1 5030AD [1,1,0,0,0,0|2,0,0]=4 298 B10R1.15 CNC(C)C1=NC=CC=C1 9484AC [1,1,0,0,0,0|2,0,0]=4 299 B10R1.15 COC(=N)C1=CC=NC=C1 4422AB [1,1,0,0,0,0|1,0,1]=4 300 B10R1.15 COC(=N)C1=NC=CC=C1 3585AL [1,1,0,0,0,0|1,0,1]=4 301 B10R1.15 COS(=O)C1=CC=CC=C1 0314AC [1,1,0,0,0,0|1,0,0]=3 302 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 V5313 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.15 NC(CO)C1=CC=CC=N1 1465AJ [1,1,0,0,0,0|1,0,0]=3 304 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [1,1,0,0,0,0|1,0,0]=3 305 B10R1.15 NCC(O)C1=CC=CN=C1 5727AC [1,1,0,0,0,0|2,0,0]=4 306 B10R1.15 NCC(O)C1=NC=CC=C1 4964AH [1,1,0,0,0,0|2,0,0]=4 307 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 X3539 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.15 N\C(=N/O)C1=CC=CC=C1 3148AL [1,1,0,0,0,0|1,0,1]=4 309 B10R1.15 O=C(O[Ag])C1=CC=CC=C1 7828AF [1,1,0,0,0,0|1,0,1]=4 310 B10R1.18 CC(=O)CC1=CC=NC=C1 4765AJ [1,1,0,0,0,0|1,0,1]=4 311 B10R1.18 CC(=O)CC1=NC=CC=C1 W7508 [1,1,0,0,0,0|1,0,1]=4 312 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 4736AL [1,1,0,0,0,0|1,0,1]=4 313 B10R1.18 CC(=O)SC1=CC=CC=C1 9002AL [1,1,0,0,0,0|1,0,1]=4 314 B10R1.18 CC(Br)CC1=CC=CC=C1 0794AB [1,1,0,0,0,0|0,0,0]=2 315 B10R1.18 CC(C)OC1=NC=CC=C1 Z0239 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.18 CC(N)CC1=CC=CN=C1 V7434 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.16 COCCN1C=C(N)C=N1 4185AF [0,1,0,0,1,0|2,0,0]=4 318 B10R1.21 CCCCCC1=CC=CO1 4832AB [0,1,0,0,1,0|2,0,0]=4 319 B10R1.21 CCCCCC1=CSC=C1 Z5434 [0,1,0,0,1,0|2,0,0]=4 320 B12R1.1 CC1=CC=C(CCN=C=S)C=C1 3730AD [0,2,0,0,0,0|1,0,1]=4 321 B12R1.1 CCCCCC1=CC=C(Cl)C=C1 9802AE [0,2,0,0,0,0|1,0,0]=3 322 B12R1.1 CCCCCC1=CC=C(I)C=C1 0657AF [0,2,0,0,0,0|1,0,0]=3 323 B12R1.1 COCCNC1=NC=C(Br)C=N1 W9133 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.1 COCCOC1=CC=C(N)C=C1 Z4603 [0,2,0,0,0,0|0,0,0]=2 325 B12R1.1 COCCOC1=CC=C(O)C=C1 7293AB [0,2,0,0,0,0|0,0,0]=2 326 B12R1.1 COCCOC1=NC=C(F)C=C1 Z9500 [0,2,0,0,0,0|1,0,0]=3 327 B12R1.1 C\C=N\OCC1=CC=C(Cl)C=C1 Z8576 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.1 ClC1=CC=C(OCCCBr)C=C1 9050AD [0,2,0,0,0,0|2,0,0]=4 329 B12R1.1 ClCCCSC1=CC=C(Br)C=C1 1124AL [0,2,0,0,0,0|2,0,0]=4 330 B12R1.1 N#CCCOC1=CC=C(Br)C=C1 5650AJ [0,2,0,0,0,0|2,0,0]=4 331 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 4535AE [0,2,0,0,0,0|2,0,0]=4 332 B12R1.1 NCCSCC1=CC=C(F)C=C1 9785AC [0,2,0,0,0,0|2,0,0]=4 333 B12R1.1 OCCOCC1=CC=C(Cl)C=C1 0828AD [0,2,0,0,0,0|2,0,0]=4 334 B12R1.16 CC1=CC=C(C(N)CCO)C=C1 Z3667 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.16 CCCC(=O)C1=CC=C(Br)C=C1 V6195 [0,2,0,0,0,0|1,0,1]=4 336 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 5727AB [0,2,0,0,0,0|1,0,1]=4 337 B12R1.16 CCCC(=O)C1=CC=C(Cl)C=C1 V1725 [0,2,0,0,0,0|1,0,1]=4 338 B12R1.16 CCCC(=O)C1=CC=C(N)C=C1 8631AA [0,2,0,0,0,0|1,0,1]=4 339 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 X9684 [0,2,0,0,0,0|1,0,0]=3 340 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 W7350 [0,2,0,0,0,0|2,0,0]=4 341 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 W9123 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 0827AD [0,2,0,0,0,0|2,0,0]=4 343 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 5686AF [0,2,0,0,0,0|2,0,0]=4 344 B12R1.21 CC(C)COC1=CC=C(N)C=C1 4819AE [0,2,0,0,0,0|2,0,0]=4 345 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 8511AE [0,2,0,0,0,0|2,0,0]=4 346 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 5530AH [0,2,0,0,0,0|1,0,0]=3 347 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 3569AL [0,2,0,0,0,0|0,0,1]=3 348 B12R1.49 COC(=O)CC1=CC=C(Cl)N=C1 Z6313 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 X5344 [0,2,0,0,0,0|0,0,1]=3 350 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 6147AJ [0,2,0,0,0,0|2,0,0]=4 351 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 W5702 [0,2,0,0,0,0|2,0,0]=4 352 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 5559AB [0,2,0,0,0,0|2,0,0]=4 353 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 6908AB [0,2,0,0,0,0|2,0,0]=4 354 B12R1.71 CCCCC1=CC=C(C#N)C=C1 6992AD [0,2,0,0,0,0|1,0,0]=3 355 B12R1.71 CCCCC1=CC=C(C=O)C=C1 6440AL [0,2,0,0,0,0|1,0,0]=3 356 B12R1.71 CCCNC1=CC=C(C#N)C=C1 V6078 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.71 CCNCC1=CC=C(OC)C=C1 V4536 [0,2,0,0,0,0|2,0,0]=4 358 B12R1.71 CCNCC1=CC=C(OC)C=C1 V8907 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.71 CNCCC1=CC=C(OC)C=C1 Z3352 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.71 COC1=CC=C(CCC=O)C=C1 0461AB [0,2,0,0,0,0|2,0,0]=4 361 B12R1.71 COC1=CC=C(CCCBr)C=C1 0984AQ [0,2,0,0,0,0|2,0,0]=4 362 B12R1.71 COC1=CC=C(CCCN)C=C1 Z2630 [0,2,0,0,0,0|2,0,0]=4 363 B12R1.385 CCCOC1=CC=C(Br)C(C)=C1 Z7469 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 W7846 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.30 CCCCC(=O)C1=NC=CC=C1 V7440 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.30 CCCCC(O)C1=CC=CC=C1 8631AB [0,2,0,0,0,0|1,0,0]=3 367 B12R1.30 CCCCN(N)C1=CC=CC=C1 4924AL [0,2,0,0,0,0|1,0,0]=3 368 B12R1.30 CCCNC(C)C1=CC=CC=C1 4612AD [0,2,0,0,0,0|1,0,0]=3 369 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 5672AH [0,2,0,0,0,0|2,0,0]=4 370 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 9744AA [0,2,0,0,0,0|0,0,2]=4 371 B12R1.34 COC(=O)C(N)C1=CC=NC=C1 6941AJ [0,2,0,0,0,0|1,0,1]=4 372 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 5781AL [0,2,0,0,0,0|1,0,1]=4 373 B12R1.39 COCS(=O)(=O)C1=CC=CC=C1 8209AL [0,2,0,0,0,0|1,0,0]=3 374 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 2907AH [0,2,0,0,0,0|2,0,0]=4 375 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 8629AB [0,2,0,0,0,0|1,0,1]=4 376 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 5910AJ [0,2,0,0,0,0|2,0,0]=4 377 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 W5641 [0,2,0,0,0,0|2,0,0]=4 378 B12R1.121 CCCNC1=CC=CC=C1C#N V7576 [0,2,0,0,0,0|2,0,0]=4 379 B12R1.121 CCCOC1=C(C#N)C=CC=C1 7590AE [0,2,0,0,0,0|2,0,0]=4 380 B12R1.125 CC1=C(OCC(C)O)C=CC=C1 4280AL [0,2,0,0,0,0|2,0,0]=4 381 B12R1.125 O=C(O)CCC1=C(I)C=CC=C1 6771AC [0,2,0,0,0,0|2,0,0]=4 382 B12R1.267 C=CCOCC1=CC=CC=C1F Z8149 [0,2,0,0,0,0|1,0,1]=4 383 B12R1.267 CCCCOC1=CC=CC=C1Br Z0681 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.267 COCCOC1=C(N)C=CC=C1 8828AE [0,2,0,0,0,0|0,0,0]=2 385 B12R1.267 N#CCCOC1=C(F)C=CC=C1 8773AC [0,2,0,0,0,0|2,0,0]=4 386 B12R1.371 CNC(C)CC1=NC=CC=C1C 3717AF [0,2,0,0,0,0|2,0,0]=4 387 B12R1.371 COC(=O)CC1=CC=CC=C1N 4195AJ [0,2,0,0,0,0|0,0,1]=3 388 B12R1.371 COC(=O)CC1=CC=CC=C1N W5714 [0,2,0,0,0,0|0,0,1]=3 389 B12R1.374 CCCOC1=CC(C)=CC=C1F Z9546 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.374 CCNCC1=C(O)C=CC(Cl)=C1 6129AJ [0,2,0,0,0,0|2,0,0]=4 391 B12R1.374 CCNCC1=CC(Br)=CC=C1O 6109AJ [0,2,0,0,0,0|2,0,0]=4 392 B12R1.374 COCOC1=CC(F)=CC=C1Br V3626 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.1631 CCNCC1=C(Cl)C=CC=C1F 2063AL [0,2,0,0,0,0|2,0,0]=4 394 B12R1.1631 [C-]#[N+]CCC1=C(Cl)C=CC=C1Cl Z2251 [0,2,0,0,0,0|1,0,1]=4 395 B12R1.28 CC1=CC=CC(CSCCN)=C1 9801AC [0,2,0,0,0,0|2,0,0]=4 396 B12R1.28 CCCCCC1=CC=CC(=O)O1 6874AL [0,2,0,0,0,0|2,0,0]=4 397 B12R1.28 CCCCOC1=CC=CC(Br)=N1 Z7251 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.28 COCCOC1=CC=CC(N)=C1 1940AA [0,2,0,0,0,0|0,0,0]=2 399 B12R1.28 NCCSCC1=CC(Cl)=CC=C1 9790AC [0,2,0,0,0,0|2,0,0]=4 400 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 7522AB [0,2,0,0,0,0|0,0,1]=3 401 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 W3284 [0,2,0,0,0,0|0,0,1]=3 402 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 Z4831 [0,2,0,0,0,0|0,0,1]=3 403 B12R1.226 CC(C)CSC1=CC(Br)=CC=C1 Z8144 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.226 CC1=CC=CC(OCC(C)O)=C1 4284AL [0,2,0,0,0,0|2,0,0]=4 405 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 X0194 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F258 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.382 CCCOC1=CC(C=O)=CC=C1 7958AE [0,2,0,0,0,0|2,0,0]=4 408 B12R1.8 CCCCCCC1=NC=CC=C1 2237AA [0,2,0,0,0,0|2,0,0]=4 409 B12R1.8 CCCCCC[N+]1=CC=CC=C1 4881AL [0,2,0,0,0,0|2,0,0]=4 410 B12R1.8 CCCCCNC1=CC=CC=C1 8652AL [0,2,0,0,0,0|1,0,0]=3 411 B12R1.8 CCCCOCC1=CC=CC=C1 7140AL [0,2,0,0,0,0|1,0,0]=3 412 B12R1.8 ClCCCCCC1=CC=CC=C1 4694AH [0,2,0,0,0,0|1,0,0]=3 413 B12R1.8 ClCCCOCC1=CC=CC=C1 2353AB [0,2,0,0,0,0|1,0,0]=3 414 B12R1.8 O=COC\C=C\C1=CC=CC=C1 Z3647 [0,2,0,0,0,0|0,0,2]=4 415 B12R1.8 OCCCC#CC1=CC=CC=C1 6815AL [0,2,0,0,0,0|1,0,1]=4 416 B12R1.8 OCCCNCC1=CC=CC=C1 6427AB [0,2,0,0,0,0|1,0,0]=3 417 B12R1.8 S=C=NCCCC1=CC=CC=C1 8721AD [0,2,0,0,0,0|1,0,1]=4 418 B12R1.27 COC(=O)C#CC1=CC=CC=C1 8246AL [0,2,0,0,0,0|0,0,2]=4 419 B12R1.27 COC(=O)CCC1=NC=CC=C1 6978AJ [0,2,0,0,0,0|1,0,0]=3 420 B12R1.27 NCC(O)COC1=CC=CC=C1 3219AE [0,2,0,0,0,0|2,0,0]=4 421 B12R1.27 NCC(O)COC1=CC=CC=C1 Z2335 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 2113AB [0,2,0,0,0,0|2,0,0]=4 423 B12R1.27 O=C(CO)OCC1=CC=CC=C1 3173AB [0,2,0,0,0,0|2,0,0]=4 424 B12R1.32 C#CCN(C)CC1=CC=CC=C1 V1637 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.32 CCCC(=O)CC1=CC=CC=C1 U242 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.32 CN(CCN)CC1=CC=CC=C1 6899AA [0,2,0,0,0,0|2,0,0]=4 427 B12R1.252 CC(=O)COCC1=CC=CC=C1 1360AB [0,2,0,0,0,0|1,0,0]=3 428 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [0,2,0,0,0,0|1,0,0]=3 429 B12R1.252 CN(C)CCOC1=CC=CC=C1 X9881 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 X5394 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.252 O=C(O)CCNC1=CC=CC=C1 V6650 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.252 O=C(O)CCSC1=CC=CC=C1 7334AB [0,2,0,0,0,0|2,0,0]=4 433 B12R1.43 CC(=O)C(C)OC1=CC=CC=C1 7325AE [0,2,0,0,0,0|2,0,0]=4 434 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 6370AD [0,2,0,0,0,0|1,0,1]=4 435 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 1968AL [0,2,0,0,0,0|2,0,0]=4 436 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 8476AC [0,2,0,0,0,0|2,0,0]=4 437 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 9207AA [0,2,0,0,0,0|2,0,0]=4 438 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 3046AC [0,2,0,0,0,0|1,0,0]=3 439 B12R1.118 N#CC(CO)CC1=CC=CC=C1 5460AJ [0,2,0,0,0,0|2,0,0]=4 440 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 5701AL [0,2,0,0,0,0|1,0,0]=3 441 B12R1.891 FC(F)(F)CCC1=CC=CC=C1 4975AD [0,2,0,0,0,0|2,0,0]=4 442 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 3756AB [0,2,0,0,0,0|2,0,0]=4 443 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 W6072 [0,2,0,0,0,0|1,1,0]=4 444 B10R1.172 C=CC1=CC(OC)=CC=C1 9451AB [0,0,1,1,0,0|0,0,2]=4 445 B10R2.6 C1=CC=C(C2CC2)C=C1 V8423 [1,0,0,1,0,0|0,0,0]=2 446 B10R2.7 C1=CC2=C(C=C1)COC2 6725AB [1,0,0,1,0,0|0,0,0]=2 447 B10R2.7 C1=CC2=C(C=N1)CNC2 X5477 [1,0,0,1,0,0|2,0,0]=4 448 B10R2.7 C1=CC2=C(C=N1)CNC2 X6082 [1,0,0,1,0,0|2,0,0]=4 449 B10R2.7 C1=CC2=C(N=C1)NCC2 X8780 [1,0,0,1,0,0|2,0,0]=4 450 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 X9385 [0,1,0,1,0,0|2,0,0]=4 451 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 W4543 [0,1,0,1,0,0|1,0,0]=3 452 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 W4477 [0,1,0,1,0,0|1,0,0]=3 453 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 W4639 [0,1,0,1,0,0|1,0,0]=3 454 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 W4577 [0,1,0,1,0,0|2,0,0]=4 455 B12R2.24 CC1=CC2=C(C=C1)CCNC2 W4357 [0,1,0,1,0,0|1,0,0]=3 456 B12R2.24 CC1=CC=C2CNCCC2=C1 6012AH [0,1,0,1,0,0|1,0,0]=3 457 B12R2.24 CC1CNC2=C(C=CC=C2)S1 6248AE [0,1,0,1,0,0|2,0,0]=4 458 B12R2.24 CC1CNC2=CC=CC=C2N1 1064AQ [0,1,0,1,0,0|2,0,0]=4 459 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 1343AC [0,1,0,1,0,0|1,0,0]=3 460 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 X4674 [0,1,0,1,0,0|1,0,0]=3 461 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 3925AB [0,1,0,1,0,0|1,0,0]=3 462 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 W5519 [0,1,0,1,0,0|1,0,0]=3 463 B12R2.24 ClC1=CC=C2CCCCC2=N1 Z4404 [0,1,0,1,0,0|2,0,0]=4 464 B12R2.24 ClC1=CC=C2CCCNC2=C1 5077AC [0,1,0,1,0,0|2,0,0]=4 465 B12R2.24 ClC1=CC=C2CNCCC2=N1 W8340 [0,1,0,1,0,0|2,0,0]=4 466 B12R2.24 FC1=CC2=C(C=C1)CNCC2 2484AC [0,1,0,1,0,0|1,0,0]=3 467 B12R2.24 NC1=CC2=C(C=C1)CCNC2 4601AH [0,1,0,1,0,0|1,0,0]=3 468 B12R2.24 NC1=CC2=C(C=C1)CCNC2 9210AA [0,1,0,1,0,0|1,0,0]=3 469 B12R2.24 NC1=CC=C2CCCCC2=C1 X6988 [0,1,0,1,0,0|1,0,0]=3 470 B12R2.24 NC1COC2=C(C=CC=C2)C1 9680AA [0,1,0,1,0,0|2,0,0]=4 471 B12R2.24 O=C1C=CC2=C(CCCC2)N1 V6554 [0,1,0,1,0,0|2,0,0]=4 472 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [0,1,0,1,0,0|2,0,0]=4 473 B12R2.24 OC1=CC2=C(C=C1)CNCC2 W7258 [0,1,0,1,0,0|1,0,0]=3 474 B12R2.24 OC1CNC2=CC=CC=C2C1 3033AH [0,1,0,1,0,0|2,0,0]=4 475 B12R2.132 NC1=CC2=C(C=C1)CCC2=O S967 [0,1,0,1,0,0|2,0,0]=4 476 B12R2.294 IC1=CC=C(OC2CC2)C=C1 4594AA [0,1,0,1,0,0|2,0,0]=4 477 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 2234AL [0,1,0,1,0,0|1,0,0]=3 478 B12R2.2 C1=CC=C(C2CCNC2)N=C1 7524AA [0,1,0,1,0,0|2,0,0]=4 479 B12R2.2 C1=CC=C(C2SCCS2)C=C1 2161AL [0,1,0,1,0,0|2,0,0]=4 480 B12R2.2 C1=CN=C(C2CCCN2)C=C1 2691AD [0,1,0,1,0,0|2,0,0]=4 481 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 7465AB [0,1,0,1,0,0|1,0,0]=3 482 B12R2.116 NC1(C2=CC=CC=C2)CCC1 Z3969 [0,1,0,1,0,0|1,0,0]=3 483 B12R2.1081 BrC1=CC=CC2=C1CCCN2 2430AA [0,1,0,1,0,0|2,0,0]=4 484 B12R2.1081 BrC1=CC=CC2=C1CCCN2 X8838 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.1081 BrC1=CC=CC2=C1CCNC2 W8577 [0,1,0,1,0,0|1,0,0]=3 486 B12R2.1081 BrC1=CC=CC2=C1CNCC2 1719AC [0,1,0,1,0,0|1,0,0]=3 487 B12R2.1081 BrC1=CC=CC2=C1CNCC2 X9139 [0,1,0,1,0,0|1,0,0]=3 488 B12R2.1081 CC1=NCCC2=C1C=CC=C2 Z2315 [0,1,0,1,0,0|1,0,0]=3 489 B12R2.1081 CC1CCNC2=C1C=CC=C2 0022AB [0,1,0,1,0,0|1,0,0]=3 490 B12R2.1081 CC1CCNC2=C1C=CC=C2 Z5091 [0,1,0,1,0,0|1,0,0]=3 491 B12R2.1081 CC1NCCC2=C1C=CC=C2 X8977 [0,1,0,1,0,0|1,0,0]=3 492 B12R2.1081 CN1CCCC2=C1C=CC=C2 6666AB [0,1,0,1,0,0|1,0,0]=3 493 B12R2.1081 CN1CCNC2=C1C=CC=C2 X9648 [0,1,0,1,0,0|1,0,0]=3 494 B12R2.1081 ClC1=CC=CC2=C1CNCC2 9240AB [0,1,0,1,0,0|1,0,0]=3 495 B12R2.1081 NC1CCCC2=CC=CN=C21 3020AJ [0,1,0,1,0,0|2,0,0]=4 496 B12R2.1081 NC1CCOC2=C1C=CC=C2 W6827 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.1081 NC1CCOC2=CC=CC=C21 5088AC [0,1,0,1,0,0|2,0,0]=4 498 B12R2.1081 NN1CCCC2=C1C=CC=C2 6035AE [0,1,0,1,0,0|2,0,0]=4 499 B12R2.1081 N[C@@H]1CCOC2=CC=CC=C21 0758AB [0,1,0,1,0,0|2,0,0]=4 500 B12R2.1081 N[C@H]1CCCC2=CC=CC=C21 B573 [0,1,0,1,0,0|1,0,0]=3 501 B12R2.1081 O=C1CCNC2=C1C=CC=C2 W8031 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.1081 O=C1COCC2=C1C=CC=C2 W4380 [0,1,0,1,0,0|0,0,1]=3 503 B12R2.1081 O=C1CSCC2=C1C=CC=C2 X5478 [0,1,0,1,0,0|0,1,1]=4 504 B12R2.1081 O=C1NCCC2=C1C=CC=C2 X9392 [0,1,0,1,0,0|1,0,1]=4 505 B12R2.1081 OC1=CC=CC2=C1CNCC2 3757AB [0,1,0,1,0,0|1,0,0]=3 506 B12R2.1081 OC1=CC=CC2=C1NCCC2 W7741 [0,1,0,1,0,0|2,0,0]=4 507 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 V1329 [0,1,0,1,0,0|1,0,0]=3 508 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 9076AB [0,1,0,1,0,0|1,0,1]=4 509 B12R2.2028 NC1CC(=O)C2=CC=CC=C21 4741AD [0,1,0,1,0,0|2,0,0]=4 510 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 5276AB [0,1,0,1,0,0|1,0,0]=3 511 B12R2.2075 NC(C1=CC=CN=C1)C2CC2 6582AJ [0,1,0,1,0,0|2,0,0]=4 512 B12R2.2075 NC(C1=CC=NC=C1)C2CC2 5116AJ [0,1,0,1,0,0|2,0,0]=4 513 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 W9898 [0,1,0,1,0,0|1,0,0]=3 514 B12R2.32 COC1=NC2=CC=CC=C2S1 0772AQ [0,1,0,1,0,0|1,0,1]=4 515 B12R2.32 OCC1CC2=CC=CC=C2O1 W7718 [0,1,0,1,0,0|2,0,0]=4 516 B12R2.196 O=C1CCC2=C1C=CC=C2Cl W3302 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.196 O=C1CCC2=C1C=CC=C2I W7326 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.196 OC1CCC2=C1C=CC=C2Br 8482AA [0,1,0,1,0,0|2,0,0]=4 519 B12R2.225 BrC1=CC=CC=C1OC2CC2 Y8944 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 X4357 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 W5654 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 W7651 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 W5631 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.612 NC1CCC2=CC(Br)=CC=C21 3110AJ [0,1,0,1,0,0|2,0,0]=4 525 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 Y5457 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.1 COC1OCC2=CC=CC=C21 4557AL [0,1,0,1,0,0|0,0,0]=2 527 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 P609 [0,1,0,1,0,0|0,0,0]=2 528 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 9499AD [0,1,0,1,0,0|1,0,0]=3 529 B12R2.18 CC1CC2=C(C=CC=C2)C1=O 9059AA [0,1,0,1,0,0|2,0,0]=4 530 B12R2.18 CC1NC2=C(C=CC=C2)C1C 1212AB [0,1,0,1,0,0|2,0,0]=4 531 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 1660AL [0,1,0,1,0,0|1,0,1]=4 532 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 6832AA [0,1,0,1,0,0|2,0,0]=4 533 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 9149AE [0,1,0,1,0,0|2,0,0]=4 534 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O 4008AL [0,1,0,1,0,0|2,0,0]=4 535 B12R2.18 OC1C2=C(C=CC=C2)CC1Br 7739AB [0,1,0,1,0,0|2,0,0]=4 536 B12R2.18 OC1CC2=C(C=CC=C2)C1O 4451AL [0,1,0,1,0,0|2,0,0]=4 537 B12R2.2403 CC1(C)CNC2=C1C=CC=C2 2275AL [0,1,0,1,0,0|2,0,0]=4 538 B8R1.8 CCCC1=NC=CS1 9241AA [1,0,0,0,1,0|2,0,0]=4 539 B8R1.8 CCCN1C=CC=N1 Z0507 [1,0,0,0,1,0|2,0,0]=4 540 B8R1.8 CNCC1=CC=CS1 V7562 [1,0,0,0,1,0|2,0,0]=4 541 B8R1.8 CNCC1=CC=CS1 W7142 [1,0,0,0,1,0|2,0,0]=4 542 B8R1.8 CSCC1=CC=CO1 9711AJ [1,0,0,0,1,0|1,1,0]=4 543 B8R1.8 NCCC1=CSC=C1 Y8818 [1,0,0,0,1,0|2,0,0]=4 544 B8R1.8 OCCC1=CNC=N1 W8955 [1,0,0,0,1,0|2,0,0]=4 545 B8R1.8 OCCN1C=CC=N1 V7005 [1,0,0,0,1,0|2,0,0]=4