0 B11R1.182 CC1=C(CC#N)C=C(Cl)C=C1 AT13429 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13431 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.182 CC1=CC(CC#N)=C(Br)C=C1 D96277 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.182 CCCC1=C(Br)C=CC(O)=C1 57995 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.182 CCCN1C=C(N)C=CC1=O AT19282 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.182 CCOC1=C(F)C=CC(Br)=C1 H11056 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.182 CNCC1=C(Cl)C=CC(Cl)=C1 76693 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.182 CNCC1=C(F)C=CC(Br)=C1 36267 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.182 COCC1=C(Br)C=CC(F)=C1 N11817 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.182 ClC1=CC(CCBr)=C(Cl)C=C1 C78205 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.182 NC1=CN(CCO)C(=O)C=C1 AT19231 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.182 NCCC1=C(Br)C=CC(Cl)=C1 AT11063 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.182 NCCC1=C(F)C=CC(Br)=C1 N12525 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.182 NCCC1=C(F)C=CC(F)=C1 AT21560 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.182 NCCN1C=C(Br)C=CC1=O AT19269 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.182 NNCC1=C(Br)C=CC(Cl)=C1 AC5350 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.182 NNCC1=C(Cl)C=CC(F)=C1 AC5377 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.182 NNCC1=C(F)C=CC(Br)=C1 AC5379 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.182 N\N=C\C1=C(F)C=CC(Br)=C1 36791 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.182 O=C1C=CC(Br)=CN1CCO AT13854 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.4 CC1=CC=CN=C1CC#N C90297 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.4 NCCN1C=CC=CC1=O F15207 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.4 NCCN1C=CC=NC1=O AT13871 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.4 NCCN1C=NC=CC1=O AT13878 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.4 O=C1C=CC=CN1CCBr AT19229 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.10 CC1=CC=CC(CC=O)=C1 74805 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.10 CC1=NC=CC(CNN)=C1 F52070 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.10 CC1=NC=CC(CNN)=C1 F52466 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [1,0,0,0,0,0|2,0,0]=3 42 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.10 COCC1=CC(N)=CC=C1 30379 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.10 CSCC1=CC(N)=CC=C1 AT15211 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.10 NCCC1=CC=CC(I)=C1 C78608 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.10 NNCC1=CC(Br)=CN=C1 P11105 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.10 NNCC1=CC=CC(Cl)=C1 P15270 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.10 NNCC1=CC=CC(O)=C1 D87672 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.10 N\N=C\C1=CC=CC(O)=C1 F15561 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.10 O=CCC1=CC=CC(Cl)=C1 W16823 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.30 BrCC1=C(Br)C=CC(Br)=C1 68639 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.30 BrCC1=C(Br)C=CC(I)=C1 CL9154 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.30 BrCC1=C(I)C=CC(Br)=C1 CL9155 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.30 CC1=C(CBr)C=C(Cl)C=C1 73456 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.30 CC1=C(CO)C=C(O)C=C1 AC3540 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.30 CC1=C(CO)N=C(Br)C=C1 AT18411 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.30 CC1=CC(C#N)=C(S)C=C1 AT20893 [1,0,0,0,0,0|1,0,2]=4 62 B10R1.30 CC1=CC(CBr)=C(F)C=C1 98276 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.30 CC1=CC(CO)=C(I)C=C1 H11526 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.30 CC1=CC=C(C)C(C#N)=N1 Y10193 [1,0,0,0,0,0|1,0,2]=4 65 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 D85930 [1,0,0,0,0,0|3,0,0]=4 66 B10R1.30 CC1=NC(CO)=C(F)C=C1 C91534 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.30 CC1=NC=C(Br)C=C1CCl AC3206 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.30 CC1=NNC(=O)C(CN)=C1 P13172 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.30 CCC1=C(Br)C=NC(Cl)=C1 AT13829 [1,0,0,0,0,0|3,0,0]=4 70 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [1,0,0,0,0,0|0,0,0]=1 71 B10R1.30 CCC1=CC(Br)=NC=C1N 51679 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.30 CCN1C=C(N)C=CC1=O AT19278 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.30 CNC1=C(F)C=CC(Br)=C1 AC3023 [1,0,0,0,0,0|3,0,0]=4 74 B10R1.30 CNC1=C(N)C=CC(Cl)=C1 C76710 [1,0,0,0,0,0|3,0,0]=4 75 B10R1.30 CNC1=C(O)C=CC(C)=C1 C16345 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.30 CNC1=NC(C)=CC=C1N S10557 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.30 COC1=C(S)C=CC(N)=C1 D87749 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 C13369 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.30 NCC1=C(Br)C=CC(F)=C1 AC7757 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.30 NCC1=C(Br)C=CC(O)=C1 D88088 [1,0,0,0,0,0|2,0,0]=3 83 B10R1.30 NCC1=C(F)C=CC(N)=C1 AC9197 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.30 NCC1=C(I)C=CC(Br)=C1 67324 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.30 NCC1=C(N)C=CC(Br)=C1 O10495 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.30 NCC1=C(N)C=CC(F)=C1 CK2412 [1,0,0,0,0,0|2,0,0]=3 87 B10R1.30 NCC1=C(O)C=CC(Br)=C1 76231 [1,0,0,0,0,0|2,0,0]=3 88 B10R1.30 NCC1=CC(Br)=CN=C1F P12283 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.30 NCC1=CC(Br)=CN=C1N AC3840 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.30 NCC1=CC(Cl)=CN=C1O 79398 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.30 NNC1=C(Cl)C=CC(Br)=C1 E72103 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.30 NNC1=C(F)C=CC(Cl)=C1 A51221 [1,0,0,0,0,0|3,0,0]=4 93 B12R1.127 CC1=C(OC(F)F)C=C(Br)C=C1 F18846 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.127 CC1=C(OC(F)F)C=C(Cl)C=C1 F19069 [0,1,0,0,0,0|3,0,0]=4 95 B12R1.127 CC1=C(OC(F)F)C=C(F)C=C1 F19089 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.127 CC1=C(OC(F)F)C=C(I)C=C1 F19091 [0,1,0,0,0,0|3,0,0]=4 97 B12R1.127 CC1=CC(CC(=O)O)=C(Cl)C=C1 D96279 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.127 CC1=CC(OC(F)F)=C(N)C=C1 98228 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.127 C[C@H](N)CC1=C(F)C=CC(F)=C1 N11067 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.127 NC(=O)CC1=C(Br)C=CC(Cl)=C1 AT11065 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.127 NC(=O)CC1=C(F)C=CC(Br)=C1 92705 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.268 COC1=C(CC#N)C=C(F)C=C1 CK2057 [0,1,0,0,0,0|1,0,2]=4 103 B12R1.270 CCCC1=C(Br)C=CC(C=O)=C1 97132 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.354 CC1=CC(C(=O)NN)=C(C)C=C1 W15991 [0,1,0,0,0,0|1,0,1]=3 105 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13759 [0,1,0,0,0,0|0,0,0]=1 106 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13760 [0,1,0,0,0,0|0,0,0]=1 107 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13761 [0,1,0,0,0,0|0,0,0]=1 108 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13765 [0,1,0,0,0,0|0,0,0]=1 109 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13766 [0,1,0,0,0,0|0,0,0]=1 110 B12R1.354 CC1=CC([C@@H](N)CN)=C(C)C=C1 N13767 [0,1,0,0,0,0|0,0,0]=1 111 B12R1.354 CC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13640 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.354 CC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13641 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.354 CC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13642 [0,1,0,0,0,0|1,0,0]=2 114 B12R1.354 CC1=CC([C@@H](N)CN)=C(F)C=C1 N13595 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.354 CC1=CC([C@@H](N)CN)=C(F)C=C1 N13596 [0,1,0,0,0,0|1,0,0]=2 116 B12R1.354 CC1=CC([C@@H](N)CN)=C(F)C=C1 N13597 [0,1,0,0,0,0|1,0,0]=2 117 B12R1.354 CCC(=O)C1=C(F)C=CC(C)=C1 N14035 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.354 CC[C@H](N)C1=C(F)C=CC(F)=C1 N11165 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.354 CC[C@H](N)C1=C(F)C=CC(F)=C1 N12908 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.354 CC[C@H](N)C1=C(O)C=CC(C)=C1 N14793 [0,1,0,0,0,0|2,0,0]=3 121 B12R1.354 CC[C@H](O)C1=C(C)C=CC(C)=C1 N14426 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.354 CC[C@H](O)C1=C(F)C=CC(F)=C1 N14418 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.354 NCC(=O)C1=C(F)C=CC(F)=C1 O10640 [0,1,0,0,0,0|2,0,1]=4 124 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Br)=C1 N13699 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Br)=C1 N13700 [0,1,0,0,0,0|2,0,0]=3 126 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Br)=C1 N13701 [0,1,0,0,0,0|2,0,0]=3 127 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N13696 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N13697 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.354 NC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N13698 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Br)=C1 N13593 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Br)=C1 N13594 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Cl)=C1 N13590 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Cl)=C1 N13591 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.354 NC[C@H](N)C1=C(F)C=CC(Cl)=C1 N13592 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13584 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13587 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13588 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.354 NC[C@H](N)C1=C(F)C=CC(F)=C1 N13589 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.354 NC[C@H](O)C1=C(F)C=CC(F)=C1 C77859 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.354 N[C@@H](CO)C1=C(F)C=CC(F)=C1 N12983 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.374 CCOCC1=C(Br)C=CC(F)=C1 N10175 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.374 CCOCC1=C(F)C=CC(Br)=C1 N10200 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.374 ClC1=CC(OCCBr)=C(Br)C=C1 AT20088 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.374 FC1=CC(CCCBr)=C(F)C=C1 C77741 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.374 NCCCN1C=C(Br)C=CC1=O AT19270 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.374 OCCCC1=C(F)C=CC(F)=C1 C78523 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.497 NC1=C(CCO)C(F)=C(F)C=C1 12119 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.497 OCCC1=C(Cl)C=CC(F)=C1Cl W12045 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.1123 FC1=CC(F)=C(CCBr)C=C1F 39118 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.1123 NCCC1=CC(O)=C(O)C=C1O D87854 [0,1,0,0,0,0|2,0,0]=3 151 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 C13599 [0,0,0,1,0,0|2,0,0]=3 152 B12R2.24 CC1=CC2=C(C=C1)CNCC2 C15799 [0,0,0,1,0,0|0,0,0]=1 153 B12R2.24 CC1=CC2=C(C=C1)NCCO2 AC6673 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.24 CC1=CC2=C(C=C1)OCCN2 VT1288 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.24 CC1=CC2=C(C=C1)SCCN2 W10110 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 Y10725 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.24 ClC1=CC2=C(C=C1)COCC2 N14606 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.24 FC1=CC2=C(C=C1)CCNC2 76409 [0,0,0,1,0,0|3,0,0]=4 159 B12R2.24 FC1=CC2=C(C=C1)COCC2 N14605 [0,0,0,1,0,0|2,0,0]=3 160 B12R2.221 CC1=C2C=CNC2=C(C)C=C1 I11443 [0,0,0,1,0,0|0,0,2]=3 161 B12R2.221 CC1=C2NC=CC2=C(O)C=C1 F18320 [0,0,0,1,0,0|1,0,2]=4 162 B12R2.221 NC1=C2CCCC2=C(Br)C=C1 93743 [0,0,0,1,0,0|3,0,0]=4 163 B12R2.221 OC1=C2CCCC2=C(Br)C=C1 AT25822 [0,0,0,1,0,0|3,0,0]=4 164 B12R2.221 OC1=C2CCCC2=C(F)C=C1 N14302 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.606 NC1=CC2=C(C=C1)C[C@H](O)C2 94670 [0,0,0,1,0,0|2,0,0]=3 166 B12R2.606 N[C@H]1CC2=C(C=C(Cl)C=C2)C1 C16302 [0,0,0,1,0,0|1,0,0]=2 167 B12R2.606 N[C@H]1CC2=C(C=C(F)C=C2)C1 Y10225 [0,0,0,1,0,0|1,0,0]=2 168 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 25202 [0,0,0,1,0,0|1,0,0]=2 169 B12R2.606 N[C@H]1CC2=C(C=C(I)C=C2)C1 36607 [0,0,0,1,0,0|1,0,0]=2 170 B12R2.606 OC1=CC2=C(C=C1)C[C@H](O)C2 F53501 [0,0,0,1,0,0|2,0,0]=3 171 B12R2.1316 CC1=C(C2CC2)C=C(N)C=C1 AC9568 [0,0,0,1,0,0|2,0,0]=3 172 B12R2.1316 CC1=CC(C2CC2)=C(C)C=C1 AC9678 [0,0,0,1,0,0|1,0,0]=2 173 B12R2.1316 FC1=C(C2CC2)C=C(Cl)C=C1 AC8512 [0,0,0,1,0,0|3,0,0]=4 174 B12R2.1316 NC1=C(C2CC2)C=C(F)C=C1 AC3387 [0,0,0,1,0,0|3,0,0]=4 175 B12R2.1316 OC1=C(C2CC2)C=C(Br)C=C1 97770 [0,0,0,1,0,0|3,0,0]=4 176 B10R1.187 CC1=NNC(C)=C1CCBr F52606 [0,0,0,0,1,0|3,0,0]=4 177 B10R1.187 CC1=NNC(C)=C1CCN C80023 [0,0,0,0,1,0|2,0,0]=3 178 B10R1.187 CN1N=CC(Br)=C1CCN D79720 [0,0,0,0,1,0|3,0,0]=4 179 B10R1.187 NCCN1C(=O)C=CC1=O D73536 [0,0,0,0,1,0|3,0,0]=4 180 B9R1.8 BrCCC1=CN=CC=C1 C77647 [2,0,0,0,0,0|2,0,0]=4 181 B9R1.8 CCCC1=CC=CN=C1 O11051 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.8 FCCC1=CC=CC=C1 75534 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.8 NCCC1=CC=CC=C1 T71816 [2,0,0,0,0,0|0,0,0]=2 185 B9R1.8 NCCC1=CC=CC=C1 T72591 [2,0,0,0,0,0|0,0,0]=2 186 B9R1.8 NCCC1=NC=CC=N1 83201 [2,0,0,0,0,0|2,0,0]=4 187 B9R1.8 NCCC1=NC=CC=N1 P10852 [2,0,0,0,0,0|2,0,0]=4 188 B9R1.8 NCCC1=NC=CN=C1 AT22557 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.8 NCCC1=NC=NC=C1 P10950 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.8 NNCC1=NC=CC=C1 P10521 [2,0,0,0,0,0|2,0,0]=4 191 B9R1.8 OCCC1=CC=NC=C1 T72404 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.8 SCCC1=NC=CC=C1 F18309 [2,0,0,0,0,0|2,0,0]=4 193 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [2,0,0,0,0,0|0,0,2]=4 194 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [2,0,0,0,0,0|2,0,0]=4 197 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [2,0,0,0,0,0|2,0,0]=4 198 B9R1.15 CC1=CC=CN=C1CBr D97530 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.15 CC1=NC=CN=C1CN 38702 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [2,0,0,0,0,0|2,0,0]=4 201 B9R1.15 CCC1=CC=CN=C1C 75814 [2,0,0,0,0,0|1,0,0]=3 202 B9R1.15 COC1=C(C)C=NC=C1 D74380 [2,0,0,0,0,0|2,0,0]=4 203 B9R1.15 NCC1=C(Br)C=NC=C1 98160 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [2,0,0,0,0,0|2,0,0]=4 205 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [2,0,0,0,0,0|2,0,0]=4 206 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [2,0,0,0,0,0|1,0,0]=3 207 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.15 NCC1=CC=CN=C1Cl 37571 [2,0,0,0,0,0|2,0,0]=4 210 B9R1.15 NCC1=CC=CN=C1N CL0345 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.15 NCC1=[N+]([O-])C=CC=C1 D86206 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [2,0,0,0,0,0|2,0,0]=4 214 B9R1.2 CC1=CC(CN)=NC=N1 AT18324 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.2 CC1=CC=NC(CN)=N1 P10960 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.2 CC1=CN=NC(CN)=C1 P13788 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.2 CC1=NC=CC(CN)=N1 F14224 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.2 CC1=NC=CC(NN)=C1 F16202 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.2 C\N=C1\C=C(C)C=CN1 W18359 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.2 NCC1=CC(=O)NC=C1 37540 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.2 NCC1=CC(Br)=CN=C1 F19818 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.2 NCC1=CC(F)=NC=C1 W18404 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.2 NCC1=CC(N)=NC=C1 AC6477 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.2 NCC1=CC=CC(Cl)=N1 C72946 [2,0,0,0,0,0|2,0,0]=4 225 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.2 NCC1=CC=CC(O)=N1 F10425 [2,0,0,0,0,0|2,0,0]=4 227 B9R1.2 NCC1=NC=CC(Br)=C1 26892 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.2 NCC1=NC=CC(F)=C1 C71953 [2,0,0,0,0,0|2,0,0]=4 229 B9R1.2 NCC1=NC=CC(N)=C1 77886 [2,0,0,0,0,0|2,0,0]=4 230 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.69 CC1=C(C)N=C(Br)C=C1 F16237 [2,0,0,0,0,0|2,0,0]=4 232 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [2,0,0,0,0,0|2,0,0]=4 233 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [2,0,0,0,0,0|2,0,0]=4 234 B9R1.69 CC1=C(N)C=CC(S)=C1 AT20958 [2,0,0,0,0,0|2,0,0]=4 235 B9R1.69 CC1=C(S)C=C(Br)C=C1 AT20875 [2,0,0,0,0,0|2,0,0]=4 236 B9R1.69 CC1=C(S)C=C(N)C=C1 AT20843 [2,0,0,0,0,0|2,0,0]=4 237 B9R1.69 CC1=C(S)C=CC(Br)=C1 AT20848 [2,0,0,0,0,0|2,0,0]=4 238 B9R1.69 CC1=CC(N)=C(S)C=C1 AT19644 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.69 CC1=CC(S)=C(Cl)C=C1 AT20814 [2,0,0,0,0,0|2,0,0]=4 240 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19639 [2,0,0,0,0,0|2,0,0]=4 241 B9R1.69 CC1=CC(S)=C(N)C=C1 AT19640 [2,0,0,0,0,0|2,0,0]=4 242 B9R1.69 CC1=CC=C(N)C(N)=N1 C16371 [2,0,0,0,0,0|2,0,0]=4 243 B9R1.69 CC1=CN=C(N)C(N)=C1 27799 [2,0,0,0,0,0|2,0,0]=4 244 B9R1.69 CC1=CN=C(O)C=C1C AT24357 [2,0,0,0,0,0|2,0,0]=4 245 B9R1.69 NC1=C(O)C=CC(I)=C1 I10250 [2,0,0,0,0,0|2,0,0]=4 246 B9R1.69 NC1=C(S)C=CC(F)=C1 C90392 [2,0,0,0,0,0|2,0,0]=4 247 B11R1.13 CC1=C(Cl)C=CC=C1CC#N C90793 [1,1,0,0,0,0|0,0,2]=4 248 B11R1.13 CCOC1=C(C)C(N)=CC=C1 F18648 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.13 CN1C(=O)C=CN=C1CCN AT13879 [1,1,0,0,0,0|2,0,0]=4 250 B11R1.13 ClC1=CC=CC(CCBr)=C1Cl C78633 [1,1,0,0,0,0|2,0,0]=4 251 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.17 CC1=CC=CN=C1CCCN W10139 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [1,1,0,0,0,0|0,0,0]=2 256 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [1,1,0,0,0,0|1,0,0]=3 260 B11R1.17 NCCCN1C=CC=CC1=O AT19227 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.17 NCCOC1=C(Cl)C=CC=C1 L10067 [1,1,0,0,0,0|1,0,0]=3 262 B11R1.41 CCC1=C(CCO)C=CC=C1 C15362 [1,1,0,0,0,0|1,0,0]=3 263 B11R1.41 COC1=C(CNN)C=CC=C1 P10476 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.81 CCOC1=C(C)C=C(N)C=C1 N12561 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.81 NCCC1=C(Br)C=C(Br)C=C1 P18612 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.81 NCCC1=C(Br)C=C(Cl)C=C1 AC3186 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.81 NCCC1=C(Br)C=C(F)C=C1 AC7044 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.81 NCCC1=C(F)C=C(Br)C=C1 50240 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.81 NCCC1=C(F)C=C(O)C=C1 F51014 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.81 NNCC1=C(Br)C=C(F)C=C1 AC5368 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 AC4339 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 P10432 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 A12240 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 P10526 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.81 NNCC1=C(F)C=C(Br)C=C1 AC5349 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.81 NNCC1=C(F)C=C(F)C=C1 AC5364 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.81 OCCC1=C(Br)C=C(Cl)C=C1 D85895 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.81 OCCC1=C(F)C=C(F)C=C1 A50720 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [1,1,0,0,0,0|0,0,0]=2 281 B11R1.86 C[C@H](N)CC1=C(Br)C=CC=C1 N11144 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.86 C[C@H](N)CC1=C(Cl)C=CC=C1 N11063 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.222 C#C[C@@H](O)C1=C(C)C=CC=C1 AC4137 [1,1,0,0,0,0|1,0,1]=4 284 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15259 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15260 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15261 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.222 CC1=C([C@@H](N)CF)C=CC=C1 N14610 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13426 [1,1,0,0,0,0|0,0,0]=2 290 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13427 [1,1,0,0,0,0|0,0,0]=2 291 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13428 [1,1,0,0,0,0|0,0,0]=2 292 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13449 [1,1,0,0,0,0|0,0,0]=2 293 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13450 [1,1,0,0,0,0|0,0,0]=2 294 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13451 [1,1,0,0,0,0|0,0,0]=2 295 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N15069 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.222 CC1=CC=CN=C1[C@@H](N)CN N14901 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 35361 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.222 CC[C@H](N)C1=C(Br)C=CC=C1 N13015 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13856 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13857 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13858 [1,1,0,0,0,0|2,0,0]=4 302 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13859 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.222 CC[C@H](O)C1=C(Br)C=CC=C1 N12628 [1,1,0,0,0,0|2,0,0]=4 304 B11R1.222 CC[C@H](O)C1=C(C)C=CC=C1 N14414 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.222 CC[C@H](O)C1=C(Cl)C=CC=C1 N14413 [1,1,0,0,0,0|2,0,0]=4 306 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N12531 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [1,1,0,0,0,0|1,0,1]=4 308 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13418 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13419 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13441 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13442 [1,1,0,0,0,0|1,0,0]=3 312 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13403 [1,1,0,0,0,0|1,0,0]=3 313 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13409 [1,1,0,0,0,0|1,0,0]=3 314 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13410 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13390 [1,1,0,0,0,0|1,0,0]=3 316 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13391 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13392 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13393 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13394 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13395 [1,1,0,0,0,0|1,0,0]=3 321 B11R1.222 NC[C@H](O)C1=C(Br)C=CC=C1 71742 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.222 NC[C@H](O)C1=C(F)C=CC=C1 C78140 [1,1,0,0,0,0|1,0,0]=3 323 B11R1.222 NC[C@H](O)C1=C(I)C=CC=C1 O10641 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.222 N[C@@H](CF)C1=C(F)C=CC=C1 N14609 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 C77783 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15244 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15255 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.605 CCOC1=C(Br)C=CC=C1C N10239 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.605 ClC1=CC=CC(Cl)=C1CCBr C78204 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.605 NCCC1=C(F)C=CC=C1F AT21561 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.605 NCCC1=C(F)C=CC=C1O F50611 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.605 OCCC1=C(F)C=CC=C1F A50722 [1,1,0,0,0,0|2,0,0]=4 333 B11R1.23 C#C[C@@H](O)C1=CC(C)=CC=C1 AC5841 [1,1,0,0,0,0|1,0,1]=4 334 B11R1.23 C=C[C@H](N)C1=CC(C)=CC=C1 N15262 [1,1,0,0,0,0|1,0,1]=4 335 B11R1.23 C=C[C@H](N)C1=CC(C)=CC=C1 N15263 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.23 C=C[C@H](N)C1=CC(C)=CC=C1 N15264 [1,1,0,0,0,0|1,0,1]=4 337 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [1,1,0,0,0,0|1,0,1]=4 338 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13429 [1,1,0,0,0,0|0,0,0]=2 339 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13430 [1,1,0,0,0,0|0,0,0]=2 340 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13431 [1,1,0,0,0,0|0,0,0]=2 341 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13452 [1,1,0,0,0,0|0,0,0]=2 342 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13453 [1,1,0,0,0,0|0,0,0]=2 343 B11R1.23 CC1=CC=CC([C@@H](N)CN)=C1 N13454 [1,1,0,0,0,0|0,0,0]=2 344 B11R1.23 CC1=CC=CC([C@@H](O)CN)=C1 C78286 [1,1,0,0,0,0|0,0,0]=2 345 B11R1.23 CC[C@H](O)C1=CC(C)=CC=C1 N14416 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.23 CC[C@H](O)C1=CC=CC(Br)=C1 N12527 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.23 CC[C@H](O)C1=CC=CC(Cl)=C1 N12311 [1,1,0,0,0,0|2,0,0]=4 348 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 C77908 [1,1,0,0,0,0|1,0,1]=4 349 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13420 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13421 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13422 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13443 [1,1,0,0,0,0|1,0,0]=3 353 B11R1.23 NC[C@H](N)C1=CC=CC(Br)=C1 N13445 [1,1,0,0,0,0|1,0,0]=3 354 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13411 [1,1,0,0,0,0|1,0,0]=3 355 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13412 [1,1,0,0,0,0|1,0,0]=3 356 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13413 [1,1,0,0,0,0|1,0,0]=3 357 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13435 [1,1,0,0,0,0|1,0,0]=3 358 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13436 [1,1,0,0,0,0|1,0,0]=3 359 B11R1.23 NC[C@H](N)C1=CC=CC(Cl)=C1 N13437 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13396 [1,1,0,0,0,0|1,0,0]=3 361 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13397 [1,1,0,0,0,0|1,0,0]=3 362 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13398 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13399 [1,1,0,0,0,0|1,0,0]=3 364 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13404 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.23 NC[C@H](N)C1=CC=CC(F)=C1 N13405 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 58439 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 71528 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 92116 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 58428 [1,1,0,0,0,0|1,0,0]=3 370 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 C78287 [1,1,0,0,0,0|1,0,0]=3 371 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 D77208 [1,1,0,0,0,0|1,0,0]=3 372 B11R1.23 N[C@@H](CF)C1=CC=CC(Br)=C1 N14613 [1,1,0,0,0,0|2,0,0]=4 373 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N12818 [1,1,0,0,0,0|2,0,0]=4 374 B11R1.23 O[C@@H](CCl)C1=CC=CC(Br)=C1 58437 [1,1,0,0,0,0|2,0,0]=4 375 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58424 [1,1,0,0,0,0|2,0,0]=4 376 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C72678 [1,1,0,0,0,0|2,0,0]=4 377 B11R1.24 BrCCCC1=CC=CC(Br)=C1 C77758 [1,1,0,0,0,0|2,0,0]=4 378 B11R1.24 BrCCOC1=CC=CC(Br)=C1 98063 [1,1,0,0,0,0|2,0,0]=4 379 B11R1.24 CC1=CC(CCCN)=NC=C1 W10140 [1,1,0,0,0,0|1,0,0]=3 380 B11R1.24 CC1=CC=CC(CCC=O)=C1 C10532 [1,1,0,0,0,0|1,0,0]=3 381 B11R1.24 CC1=CC=CC(OCCO)=N1 N10107 [1,1,0,0,0,0|2,0,0]=4 382 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 C93515 [1,1,0,0,0,0|2,0,0]=4 383 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [1,1,0,0,0,0|2,0,0]=4 384 B11R1.24 CNCCC1=CC=CC(Br)=C1 C78466 [1,1,0,0,0,0|1,0,0]=3 385 B11R1.24 ClC1=CC=CC(CCCBr)=C1 C78574 [1,1,0,0,0,0|2,0,0]=4 386 B11R1.24 N#CCCC1=CC=CC(F)=C1 97618 [1,1,0,0,0,0|1,0,1]=4 387 B11R1.24 NC1=CC=CC(OCCO)=C1 C78268 [1,1,0,0,0,0|2,0,0]=4 388 B11R1.24 NCCCC1=CC=CC(F)=C1 97619 [1,1,0,0,0,0|1,0,0]=3 389 B11R1.24 NCCCC1=CC=CC(N)=C1 C78147 [1,1,0,0,0,0|1,0,0]=3 390 B11R1.24 NCCCC1=CC=CC(O)=C1 C78310 [1,1,0,0,0,0|1,0,0]=3 391 B11R1.24 O=CCCC1=CC(O)=CC=C1 F19734 [1,1,0,0,0,0|2,0,0]=4 392 B11R1.24 [C-]#[N+]CCC1=CC=CC(F)=C1 50335 [1,1,0,0,0,0|1,0,1]=4 393 B11R1.34 ClC1=CC(Cl)=CC(CCBr)=C1 C78597 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.34 NCCC1=CC(Cl)=CC(Cl)=C1 F12494 [1,1,0,0,0,0|1,0,0]=3 395 B11R1.34 NOCC1=CC(Cl)=CC(Cl)=C1 D74083 [1,1,0,0,0,0|2,0,0]=4 396 B11R1.34 OCCC1=CC(Br)=CC(Br)=C1 AT19150 [1,1,0,0,0,0|2,0,0]=4 397 B11R1.34 OCCC1=CC(O)=CC(O)=C1 AT19148 [1,1,0,0,0,0|2,0,0]=4 398 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [1,1,0,0,0,0|1,0,1]=4 399 B11R1.157 CC(C)CC1=CC=CC(N)=C1 O11024 [1,1,0,0,0,0|2,0,0]=4 400 B11R1.157 CC1=CC=CC(C[C@H](C)N)=C1 N11054 [1,1,0,0,0,0|0,0,0]=2 401 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 E72139 [1,1,0,0,0,0|1,0,0]=3 402 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 83690 [1,1,0,0,0,0|1,0,0]=3 403 B11R1.157 C[C@H](N)CC1=CC=CC(Cl)=C1 N11066 [1,1,0,0,0,0|1,0,0]=3 404 B11R1.157 C[C@H](N)CC1=CC=CC(F)=C1 N10878 [1,1,0,0,0,0|1,0,0]=3 405 B11R1.189 CCCC1=CC=CC(OC)=C1 AC9509 [1,1,0,0,0,0|1,0,0]=3 406 B11R1.189 CCOC1=CC(CN)=CC=C1 N12140 [1,1,0,0,0,0|2,0,0]=4 407 B11R1.189 COC1=NC=CC(CCN)=C1 AT18209 [1,1,0,0,0,0|1,0,0]=3 408 B11R1.189 COCC1=CC=CC(OC)=C1 N11528 [1,1,0,0,0,0|2,0,0]=4 409 B11R1.189 N#CC1=CC(CCN)=CC=C1 72737 [1,1,0,0,0,0|0,0,1]=3 410 B11R1.192 CC1=C(Cl)C=CC(CC#N)=C1 D96292 [1,1,0,0,0,0|0,0,2]=4 411 B11R1.192 CCCC1=CC(Br)=C(Cl)C=C1 F31327 [1,1,0,0,0,0|2,0,0]=4 412 B11R1.192 ClC1=C(Cl)C=C(CCBr)C=C1 C78192 [1,1,0,0,0,0|2,0,0]=4 413 B11R1.192 FC1=C(Br)C=CC(CCBr)=C1 AC8493 [1,1,0,0,0,0|2,0,0]=4 414 B11R1.192 NNCC1=CC(Br)=C(F)C=C1 E71963 [1,1,0,0,0,0|2,0,0]=4 415 B11R1.192 NNCC1=CC(Cl)=C(Cl)C=C1 AC5360 [1,1,0,0,0,0|2,0,0]=4 416 B11R1.192 NNCC1=CC(F)=C(F)C=C1 AC5348 [1,1,0,0,0,0|2,0,0]=4 417 B11R1.8 CC1=CC(CO)=C(N)C(C)=C1 AC7040 [1,1,0,0,0,0|2,0,0]=4 418 B11R1.8 CC1=CC(O)=C(C)C(CCl)=N1 44447 [1,1,0,0,0,0|2,0,0]=4 419 B11R1.8 CCC1=C(N)C(C)=CC(Br)=C1 68319 [1,1,0,0,0,0|2,0,0]=4 420 B11R1.8 COC1=CC(C)=CC(Br)=C1N 53837 [1,1,0,0,0,0|2,0,0]=4 421 B11R1.8 NCC1=CC(Br)=CC(Cl)=C1F C90209 [1,1,0,0,0,0|2,0,0]=4 422 B11R1.37 COC1=C(CN)C=C(F)C=C1 N12248 [1,1,0,0,0,0|1,0,0]=3 423 B11R1.37 COC1=C(NN)C=C(Cl)C=C1 F11157 [1,1,0,0,0,0|2,0,0]=4 424 B11R1.37 COC1=CC=C(C)N=C1OC D75013 [1,1,0,0,0,0|2,0,0]=4 425 B11R1.37 COC1=NC(C)=CC=C1CO W17835 [1,1,0,0,0,0|2,0,0]=4 426 B11R1.37 COC1=NC=C(Br)C=C1CN 37594 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.37 CSC1=C(CO)C=CC(Br)=C1 94653 [1,1,0,0,0,0|2,0,0]=4 428 B11R1.37 N#CC1=C(CN)C=C(F)C=C1 43931 [1,1,0,0,0,0|1,0,1]=4 429 B11R1.37 OCC1=C(CO)C=C(Cl)C=C1 Y11494 [1,1,0,0,0,0|2,0,0]=4 430 B11R1.37 OCC1=C(CO)C=C(F)C=C1 AB10273 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.72 CC1=C(Br)C=CC(F)=C1CN C91339 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.72 CC1=C(CN)C(=O)N(C)C=C1 W16134 [1,1,0,0,0,0|1,0,0]=3 433 B11R1.72 COC1=C(Br)C=CC(C)=C1Cl N12192 [1,1,0,0,0,0|2,0,0]=4 434 B11R1.72 NCC1=C(Br)C=CC(Cl)=C1F AT23379 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.167 CC(=O)C1=C(C)C=CC(Cl)=C1 F52542 [1,1,0,0,0,0|1,0,1]=4 436 B11R1.167 CC(C)C1=C(Br)C=CC(O)=C1 57997 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.167 CC(C)C1=C(N)C=CC(Br)=C1 N12218 [1,1,0,0,0,0|2,0,0]=4 438 B11R1.167 CC(C)C1=C(O)C=CC(N)=C1 F31161 [1,1,0,0,0,0|2,0,0]=4 439 B11R1.167 CC1=C(C(=N)N)C=C(F)C=C1 S11570 [1,1,0,0,0,0|1,0,1]=4 440 B11R1.167 CC1=C(C(N)=O)C=C(Cl)C=C1 F52323 [1,1,0,0,0,0|1,0,1]=4 441 B11R1.167 CC1=CC(C(C)C)=C(O)C=C1 30812 [1,1,0,0,0,0|1,0,0]=3 442 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 N12153 [1,1,0,0,0,0|0,0,0]=2 443 B11R1.167 CC1=CN=C(F)C([C@H](C)O)=C1 N13304 [1,1,0,0,0,0|2,0,0]=4 444 B11R1.167 C[C@H](N)C1=C(Br)C=CC(F)=C1 C91100 [1,1,0,0,0,0|2,0,0]=4 445 B11R1.167 C[C@H](N)C1=C(Br)C=CC(F)=C1 C91101 [1,1,0,0,0,0|2,0,0]=4 446 B11R1.167 C[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N13035 [1,1,0,0,0,0|2,0,0]=4 447 B11R1.167 C[C@H](N)C1=C(Cl)C=CC(Cl)=C1 N13127 [1,1,0,0,0,0|2,0,0]=4 448 B11R1.167 C[C@H](N)C1=C(F)C=CC(Br)=C1 AT24141 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.167 C[C@H](N)C1=C(F)C=CC(Br)=C1 D85891 [1,1,0,0,0,0|2,0,0]=4 450 B11R1.167 C[C@H](N)C1=C(O)C=CC(F)=C1 D81270 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.167 C[C@H](O)C1=C(F)C=CC(F)=C1 AT11385 [1,1,0,0,0,0|2,0,0]=4 452 B11R1.167 C[C@H](O)C1=C(F)C=CC(F)=C1 AT11386 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.277 CC1=C(Br)C=C(F)C(CN)=C1 94715 [1,1,0,0,0,0|1,0,0]=3 454 B11R1.277 CC1=CC(Cl)=C(C)C=C1C=O 34577 [1,1,0,0,0,0|1,0,1]=4 455 B11R1.277 CC1=CC(N=O)=C(C)C=C1O F20968 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.277 CCC1=CC(N)=C(C)C=C1C C14445 [1,1,0,0,0,0|1,0,0]=3 457 B11R1.277 COC1=C(C)C=C(N)C(C)=C1 CL9499 [1,1,0,0,0,0|1,0,0]=3 458 B11R1.277 COC1=C(I)C=C(Cl)C(C)=C1 58348 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.280 CCC1=C(F)C=CC(C=O)=C1 97122 [1,1,0,0,0,0|1,0,1]=4 460 B11R1.280 CCC1=CC(OC)=C(F)C=C1 57977 [1,1,0,0,0,0|2,0,0]=4 461 B11R1.280 COC1=C(F)C=CC(CN)=C1 CK2401 [1,1,0,0,0,0|2,0,0]=4 462 B11R1.280 COC1=C(I)C=CC(CO)=C1 97841 [1,1,0,0,0,0|2,0,0]=4 463 B11R1.280 COC1=CC(CCl)=NC=C1C C16782 [1,1,0,0,0,0|2,0,0]=4 464 B11R1.280 COC1=CC(CN)=C(F)C=C1 Y10771 [1,1,0,0,0,0|1,0,0]=3 465 B11R1.465 CC1=NOC(C)=C1OCCN AT19678 [0,1,0,0,1,0|2,0,0]=4 466 B13R1.123 C=CCOC1=C(C)C(C)=CC(C)=C1 AT17221 [0,2,0,0,0,0|1,0,1]=4 467 B13R1.897 CC(=O)[C@H](N)C1=C(C)C=CC(C)=C1 N16018 [0,2,0,0,0,0|1,0,1]=4 468 B13R1.897 CC1=C(C(N)C(C)O)C=C(Cl)C=C1 N16228 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.897 CC1=C(C(N)C(C)O)C=C(F)C=C1 N16231 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.897 CC1=C([C@@H](N)C(C)O)C=C(Cl)C=C1 N16227 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.897 CC1=C([C@@H](N)C(C)O)C=C(F)C=C1 N16232 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.897 CC1=C([C@@H](N)[C@@H](C)O)C=C(Cl)C=C1 N16223 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.897 CC1=C([C@@H](N)[C@@H](C)O)C=C(Cl)C=C1 N16225 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.897 CC1=C([C@@H](N)[C@@H](C)O)C=C(F)C=C1 N16234 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.897 CC1=C([C@@H](N)[C@@H](C)O)C=C(F)C=C1 N16236 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.897 CC1=C([C@@H](N)[C@H](C)O)C=C(Cl)C=C1 N16226 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.897 CC1=C([C@@H](N)[C@H](C)O)C=C(F)C=C1 N16233 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.897 CC1=CC(C(=O)C(C)C)=C(C)C=C1 N14107 [0,2,0,0,0,0|1,0,1]=4 479 B13R1.897 CC1=CC(C(N)C(C)O)=C(C)C=C1 N16017 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.897 CC1=CC(C(N)C(C)O)=C(Cl)C=C1 N16217 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.897 CC1=CC(C(N)C(C)O)=C(F)C=C1 N16242 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.897 CC1=CC([C@@H](N)C(=O)O)=C(C)C=C1 N10888 [0,2,0,0,0,0|1,0,1]=4 483 B13R1.897 CC1=CC([C@@H](N)C(C)C)=C(O)C=C1 N14794 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.897 CC1=CC([C@@H](N)C(C)O)=C(C)C=C1 N16016 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.897 CC1=CC([C@@H](N)C(C)O)=C(Cl)C=C1 N16218 [0,2,0,0,0,0|2,0,0]=4 486 B13R1.897 CC1=CC([C@@H](N)C(C)O)=C(F)C=C1 N16241 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.897 CC1=CC([C@@H](N)[C@@H](C)O)=C(C)C=C1 N16013 [0,2,0,0,0,0|1,0,0]=3 488 B13R1.897 CC1=CC([C@@H](N)[C@@H](C)O)=C(C)C=C1 N16015 [0,2,0,0,0,0|1,0,0]=3 489 B13R1.897 CC1=CC([C@@H](N)[C@@H](C)O)=C(Cl)C=C1 N16220 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.897 CC1=CC([C@@H](N)[C@@H](C)O)=C(Cl)C=C1 N16222 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.897 CC1=CC([C@@H](N)[C@@H](C)O)=C(F)C=C1 N16237 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.897 CC1=CC([C@@H](N)[C@@H](C)O)=C(F)C=C1 N16239 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.897 CC1=CC([C@@H](N)[C@H](C)O)=C(C)C=C1 N16014 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.897 CC1=CC([C@@H](N)[C@H](C)O)=C(Cl)C=C1 N16219 [0,2,0,0,0,0|2,0,0]=4 495 B13R1.897 CC1=CC([C@@H](N)[C@H](C)O)=C(F)C=C1 N16240 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.2431 COC1=CC([C@@H](N)CN)=C(C)C=C1 N13762 [0,2,0,0,0,0|0,0,0]=2 497 B13R1.2431 COC1=CC([C@@H](N)CN)=C(C)C=C1 N13770 [0,2,0,0,0,0|0,0,0]=2 498 B13R1.2431 COC1=CC([C@@H](N)CN)=C(C)C=C1 N13771 [0,2,0,0,0,0|0,0,0]=2 499 B13R1.2431 COC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13643 [0,2,0,0,0,0|1,0,0]=3 500 B13R1.2431 COC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13644 [0,2,0,0,0,0|1,0,0]=3 501 B13R1.2431 COC1=CC([C@@H](N)CN)=C(Cl)C=C1 N13645 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.2431 COC1=CC([C@@H](N)CN)=C(F)C=C1 N13598 [0,2,0,0,0,0|1,0,0]=3 503 B13R1.2431 COC1=CC([C@@H](N)CN)=C(F)C=C1 N13599 [0,2,0,0,0,0|1,0,0]=3 504 B13R1.2431 COC1=CC([C@@H](N)CN)=C(F)C=C1 N13600 [0,2,0,0,0,0|1,0,0]=3 505 B13R1.2900 COC1=C(N)C=C(C)C(CC#N)=C1 94728 [0,2,0,0,0,0|0,0,2]=4 506 B13R1.317 CN[C@@H](CO)C1=C(C)C=CC(C)=C1 Y12198 [0,2,0,0,0,0|1,0,0]=3 507 B13R1.317 CN[C@@H](CO)C1=C(C)C=CC(C)=C1 Y12584 [0,2,0,0,0,0|1,0,0]=3 508 B13R1.317 CN[C@@H](CO)C1=C(C)C=CC(C)=C1 Y13040 [0,2,0,0,0,0|1,0,0]=3 509 B13R1.446 CC1=C([C@@H](N)CCO)C=C(F)C=C1 Y11744 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.446 CC1=C([C@@H](N)CCO)C=C(F)C=C1 Y13266 [0,2,0,0,0,0|2,0,0]=4 511 B13R1.446 CC1=C([C@@H](N)CCO)C=C(F)C=C1 Y13289 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.446 CC1=CC(C(=O)CC#N)=C(C)C=C1 C78292 [0,2,0,0,0,0|0,0,2]=4 513 B13R1.446 CC1=CC([C@@H](N)CC#N)=C(Cl)C=C1 N15082 [0,2,0,0,0,0|1,0,1]=4 514 B13R1.446 CC1=CC([C@@H](N)CC#N)=C(Cl)C=C1 N15083 [0,2,0,0,0,0|1,0,1]=4 515 B13R1.446 CC1=CC([C@@H](N)CC#N)=C(Cl)C=C1 N15084 [0,2,0,0,0,0|1,0,1]=4 516 B13R1.446 CC1=CC([C@@H](N)CC#N)=C(F)C=C1 N14981 [0,2,0,0,0,0|1,0,1]=4 517 B13R1.446 CC1=CC([C@@H](N)CC#N)=C(F)C=C1 N14982 [0,2,0,0,0,0|1,0,1]=4 518 B13R1.446 CC1=CC([C@@H](N)CC#N)=C(F)C=C1 N14983 [0,2,0,0,0,0|1,0,1]=4 519 B13R1.446 CCCC(=O)C1=C(F)C=CC(C)=C1 N14036 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.446 COC[C@H](N)C1=C(C)C=CC(C)=C1 Y12175 [0,2,0,0,0,0|1,0,0]=3 521 B13R1.1807 NC[C@H](N)C1=CC(F)=C(F)C=C1F N13803 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.1807 NC[C@H](N)C1=CC(F)=C(F)C=C1F N13804 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.1807 NC[C@H](N)C1=CC(F)=C(F)C=C1F N13805 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.1807 NC[C@H](N)C1=CC(F)=C(F)C=C1F N13806 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.1807 NC[C@H](N)C1=CC(F)=C(F)C=C1F N13807 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.656 CC1=C(OCCCCl)C=C(Br)C=C1 N10221 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.893 CC1=C(CCC(=O)O)C=C(F)C=C1 F52899 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.893 CC1=CC(CCC(=O)O)=C(F)C=C1 F52890 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.893 CC1=CC(SCC(=O)O)=C(C)C=C1 AT20939 [0,2,0,0,0,0|1,0,1]=4 530 B11R1.1 CC1=CC=C(CCCN)C=C1 C78299 [0,0,1,1,0,0|0,0,2]=4 531 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [0,0,1,1,0,0|0,0,2]=4 532 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [1,0,0,1,0,0|1,0,0]=3 533 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [1,0,0,1,0,0|2,0,0]=4 534 B11R2.55 CC1=C(C2CC2)C=CC=C1 AC9736 [1,0,0,1,0,0|1,0,0]=3 535 B11R2.55 CC1=CC=CN=C1C2CC2 AC9685 [1,0,0,1,0,0|2,0,0]=4 536 B11R2.55 CC1=NC=CC=C1C2CC2 F13571 [1,0,0,1,0,0|2,0,0]=4 537 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 AT10463 [1,0,0,1,0,0|2,0,0]=4 538 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 CK2535 [1,0,0,1,0,0|2,0,0]=4 539 B11R2.55 NC1=C(C2CC2)C=CC=C1 A10978 [1,0,0,1,0,0|2,0,0]=4 540 B11R2.55 OC1=C(C2CC2)C=CC=C1 91444 [1,0,0,1,0,0|2,0,0]=4 541 B11R2.106 BrC1=C2CCOC2=CC=C1 F12556 [1,0,0,1,0,0|2,0,0]=4 542 B11R2.106 CC1=C2CCOC2=NC=C1 97225 [1,0,0,1,0,0|2,0,0]=4 543 B11R2.106 CC1=C2N=CNC2=CC=C1 31265 [1,0,0,1,0,0|1,0,1]=4 544 B11R2.106 CC1=CC=CC2=C1CNC2 W10109 [1,0,0,1,0,0|2,0,0]=4 545 B11R2.106 CC1=CC=CC2=C1N=NN2 C80091 [1,0,0,1,0,0|2,0,0]=4 546 B11R2.106 ClC1=C2CCCC2=CC=C1 N13077 [1,0,0,1,0,0|2,0,0]=4 547 B11R2.106 IC1=C2CCOC2=CC=C1 E72245 [1,0,0,1,0,0|2,0,0]=4 548 B11R2.106 O=C1C=CC=C2NCCN12 O10576 [1,0,0,1,0,0|2,0,0]=4 549 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [1,0,0,1,0,0|0,0,0]=2 550 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [1,0,0,1,0,0|1,0,0]=3 551 B11R2.35 CC1=CC(C2CC2)=NC=C1 AC9117 [1,0,0,1,0,0|2,0,0]=4 552 B11R2.35 CC1=CC=CC(C2CC2)=C1 AC9451 [1,0,0,1,0,0|1,0,0]=3 553 B11R2.35 CC1=CC=CC(C2CC2)=N1 AC9039 [1,0,0,1,0,0|2,0,0]=4 554 B11R2.35 ClC1=CC(C2CC2)=CC=C1 97830 [1,0,0,1,0,0|2,0,0]=4 555 B11R2.35 OC1=CC(C2CC2)=CC=C1 97835 [1,0,0,1,0,0|2,0,0]=4 556 B11R2.36 CC1=CC2=C(C=C1)CNC2 71833 [1,0,0,1,0,0|2,0,0]=4 557 B11R2.36 CC1=CC2=C(C=C1)CNC2 W10108 [1,0,0,1,0,0|2,0,0]=4 558 B11R2.36 FC1=CC2=C(C=C1)CCC2 36515 [1,0,0,1,0,0|2,0,0]=4 559 B11R2.36 IC1=CC2=C(C=C1)CCC2 C12643 [1,0,0,1,0,0|2,0,0]=4 560 B11R2.36 NC1=CC2=C(C=C1)OCC2 88994 [1,0,0,1,0,0|2,0,0]=4 561 B13R2.328 CC1=CC(F)=CC2=C1CNCC2 AT19621 [0,1,0,1,0,0|1,0,0]=3 562 B13R2.328 CC1=CC(O)=C2CCCCC2=N1 F18337 [0,1,0,1,0,0|2,0,0]=4 563 B13R2.328 CC1=CC(O)=CC2=C1CNCC2 E71293 [0,1,0,1,0,0|1,0,0]=3 564 B13R2.328 CC1=CC2=C(CCCN2)C(C)=C1 VT1264 [0,1,0,1,0,0|2,0,0]=4 565 B13R2.328 FC1=C2CNCCC2=CC(Br)=C1 90660 [0,1,0,1,0,0|1,0,0]=3 566 B13R2.328 FC1=CC(F)=C2CNCCC2=C1 AT19600 [0,1,0,1,0,0|1,0,0]=3 567 B13R2.155 C[C@H]1CC2=C(C=CC(F)=C2)CN1 AT19622 [0,1,0,1,0,0|1,0,0]=3 568 B13R2.155 C[C@H]1CC2=C(C=CC(N)=C2)CN1 F13589 [0,1,0,1,0,0|1,0,0]=3 569 B13R2.155 NC1=CC2=C(C=C1)CC[C@H](O)C2 94668 [0,1,0,1,0,0|2,0,0]=4 570 B13R2.155 N[C@@H]1COC2=C(C=C(Cl)C=C2)C1 E72383 [0,1,0,1,0,0|1,0,0]=3 571 B13R2.155 N[C@@H]1COC2=C(C=C(Cl)C=C2)C1 W14985 [0,1,0,1,0,0|1,0,0]=3 572 B13R2.155 O[C@H]1CCC2=C(C=C(Br)C=C2)C1 94667 [0,1,0,1,0,0|2,0,0]=4 573 B13R2.3051 CC1(C)CC2=C(C=C(Br)C=C2)C1 F53402 [0,1,0,1,0,0|2,0,0]=4 574 B13R2.66 COC1=C(C2CC2)C=C(C)C=C1 AC9576 [0,1,0,1,0,0|1,0,0]=3 575 B13R2.611 COC1=C2CCCC2=C(Br)C=C1 AT25821 [0,1,0,1,0,0|2,0,0]=4 576 B13R2.2136 CC1=CC2=C(C=C1)NC=C2CN 72025 [0,1,0,1,0,0|0,0,2]=4 577 B13R2.3729 BrC1=CC2=C(C=C1)CCCNC2 D85465 [0,1,0,1,0,0|2,0,0]=4 578 B13R2.3729 BrC1=CC2=C(C=C1)CCCOC2 F52895 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.3729 BrC1=CC2=C(C=C1)CNCCO2 AT22674 [0,1,0,1,0,0|1,0,0]=3 580 B13R2.3729 BrC1=CC2=C(C=C1)COCCO2 F53181 [0,1,0,1,0,0|2,0,0]=4 581 B13R2.3729 BrC1=CC2=C(C=C1)NCCCC2 AT10607 [0,1,0,1,0,0|2,0,0]=4 582 B13R2.3729 ClC1=NC2=C(C=C1)CCNCC2 P11147 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.3729 FC1=CC2=C(C=C1)CCCNC2 51232 [0,1,0,1,0,0|2,0,0]=4 584 B13R2.3729 NC1=CC2=C(C=C1)CCCCN2 32131 [0,1,0,1,0,0|2,0,0]=4 585 B13R2.3729 OC1=CC2=C(C=C1)CCCNC2 C90439 [0,1,0,1,0,0|2,0,0]=4 586 B13R2.3729 OC1=CC2=C(C=C1)CCNCC2 85919 [0,1,0,1,0,0|1,0,0]=3 587 B13R2.3729 OC1=CC2=C(C=C1)CCNCC2 P20370 [0,1,0,1,0,0|1,0,0]=3 588 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](O)CCO2 N14459 [0,1,0,1,0,0|2,0,0]=4 589 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19619 [0,1,0,1,0,0|1,0,0]=3 590 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19620 [0,1,0,1,0,0|1,0,0]=3 591 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 CS1458 [0,1,0,1,0,0|1,0,1]=4 592 B13R2.5179 NC1=CC2=C(C=C1)[C@@H](O)CCC2 S11524 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 N12720 [0,1,0,1,0,0|2,0,0]=4 594 B13R2.5179 N[C@H]1CCCC2=C1C=CC(I)=C2 W15956 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.5179 N[C@H]1CCCC2=C1C=CC(O)=C2 N13166 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.5179 O[C@H]1CCCC2=C1C=CC(Cl)=C2 N14446 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.5190 CC1=CC2=C(C=C1)C(=O)[C@@H](C)C2 N14232 [0,1,0,1,0,0|1,0,1]=4 598 B13R2.57 COC1=CC2=C(C=C1)COCC2 N14608 [0,1,0,1,0,0|1,0,0]=3 599 B13R2.57 COC1=NC2=C(C=N1)CNCC2 20266 [0,1,0,1,0,0|2,0,0]=4 600 B13R2.57 O=CC1=CC2=C(C=C1)COCC2 94695 [0,1,0,1,0,0|1,0,1]=4 601 B13R2.57 OCC1=CC2=C(C=C1)CNCC2 W14964 [0,1,0,1,0,0|0,0,0]=2 602 B13R2.2169 COC1=CC(C2CC2)=C(Cl)C=C1 AC9738 [0,1,0,1,0,0|2,0,0]=4 603 B13R2.2169 FC1=C(C2CC2)C=C(CBr)C=C1 55284 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.2169 OCC1=CC(C2CC2)=C(F)C=C1 55283 [0,1,0,1,0,0|2,0,0]=4 605 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N11009 [0,1,0,1,0,0|2,0,0]=4 606 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N11074 [0,1,0,1,0,0|2,0,0]=4 607 B13R2.162 N[C@H]1CCCC2=C1C=C(F)C=C2 N13129 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.162 N[C@H]1CSCC2=C1C=C(Br)C=C2 SC2421 [0,1,0,1,0,0|2,0,0]=4 609 B13R2.162 OC1=CC2=C(C=C1)CNC[C@@H]2O C16747 [0,1,0,1,0,0|1,0,0]=3 610 B13R2.162 O[C@H]1CCCC2=C1C=C(Cl)C=C2 N13025 [0,1,0,1,0,0|2,0,0]=4 611 B13R2.162 O[C@H]1CCCC2=C1C=C(F)C=C2 N14444 [0,1,0,1,0,0|2,0,0]=4 612 B13R2.3028 CC1=CC2=C(C=C1)C[C@H](C)C2=O N12932 [0,1,0,1,0,0|1,0,1]=4 613 B13R2.5151 CC1=C2C(=C(Br)C=C1)CC[C@@H]2N Y12680 [0,1,0,1,0,0|1,0,0]=3 614 B13R2.5151 CC1=C2C(=C(Br)C=C1)CC[C@@H]2N Y12681 [0,1,0,1,0,0|1,0,0]=3 615 B13R2.5151 CC1=C2C(=C(Br)C=C1)CC[C@@H]2N Y13071 [0,1,0,1,0,0|1,0,0]=3 616 B13R2.5151 CC1=C2C(=O)CCC2=C(Cl)C=C1 F52801 [0,1,0,1,0,0|2,0,0]=4 617 B13R2.5151 CC1=C2C(=O)CCC2=C(F)C=C1 N11082 [0,1,0,1,0,0|2,0,0]=4 618 B13R2.5151 CC1=C2CCC(=O)C2=C(Br)C=C1 F52765 [0,1,0,1,0,0|2,0,0]=4 619 B13R2.5151 CC1=C2CCC(=O)C2=C(C)C=C1 F52791 [0,1,0,1,0,0|1,0,0]=3 620 B13R2.5151 CC1=C2CNC(=O)C2=C(C)C=C1 80910 [0,1,0,1,0,0|1,0,1]=4 621 B13R2.5151 CC1=C2OC[C@H](N)C2=C(C)C=C1 N11263 [0,1,0,1,0,0|0,0,0]=2 622 B13R2.5151 CC1=C2OC[C@H](N)C2=C(C)C=C1 N16655 [0,1,0,1,0,0|0,0,0]=2 623 B13R2.5151 CC1=C2OC[C@H](N)C2=C(C)C=C1 N16656 [0,1,0,1,0,0|0,0,0]=2 624 B13R2.5151 N[C@H]1CCC2=C(Br)C=CC(F)=C21 94568 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.5151 N[C@H]1CCC2=C(F)C=CC(Cl)=C21 N11389 [0,1,0,1,0,0|2,0,0]=4 626 B13R2.5151 N[C@H]1COC2=C(Br)C=CC(F)=C21 N16609 [0,1,0,1,0,0|2,0,0]=4 627 B13R2.5151 N[C@H]1COC2=C(Br)C=CC(F)=C21 N16610 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.5151 N[C@H]1COC2=C(Br)C=CC(F)=C21 N16611 [0,1,0,1,0,0|2,0,0]=4 629 B13R2.5151 N[C@H]1COC2=C(Cl)C=CC(Cl)=C21 N11264 [0,1,0,1,0,0|2,0,0]=4 630 B13R2.5151 N[C@H]1COC2=C(Cl)C=CC(Cl)=C21 N16653 [0,1,0,1,0,0|2,0,0]=4 631 B13R2.5151 N[C@H]1COC2=C(Cl)C=CC(Cl)=C21 N16654 [0,1,0,1,0,0|2,0,0]=4 632 B13R2.5151 N[C@H]1COC2=C(Cl)C=CC(F)=C21 N16621 [0,1,0,1,0,0|2,0,0]=4 633 B13R2.5151 N[C@H]1COC2=C(Cl)C=CC(F)=C21 N16622 [0,1,0,1,0,0|2,0,0]=4 634 B13R2.5151 N[C@H]1COC2=C(Cl)C=CC(F)=C21 N16623 [0,1,0,1,0,0|2,0,0]=4 635 B13R2.5151 N[C@H]1COC2=C(F)C=CC(Br)=C21 N16603 [0,1,0,1,0,0|2,0,0]=4 636 B13R2.5151 N[C@H]1COC2=C(F)C=CC(Br)=C21 N16604 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.5151 N[C@H]1COC2=C(F)C=CC(Br)=C21 N16605 [0,1,0,1,0,0|2,0,0]=4 638 B13R2.5151 N[C@H]1COC2=C(F)C=CC(Cl)=C21 N16624 [0,1,0,1,0,0|2,0,0]=4 639 B13R2.5151 N[C@H]1COC2=C(F)C=CC(Cl)=C21 N16625 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.5151 N[C@H]1COC2=C(F)C=CC(Cl)=C21 N16626 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.5151 N[C@H]1COC2=C(F)C=CC(F)=C21 N16649 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.5151 N[C@H]1COC2=C(F)C=CC(F)=C21 N16650 [0,1,0,1,0,0|2,0,0]=4 643 B13R2.5151 N[C@H]1COC2=C(F)C=CC(F)=C21 N16651 [0,1,0,1,0,0|2,0,0]=4 644 B13R2.43 CC1=CC2=C(C=C1)NC(CN)=N2 W10142 [0,1,0,1,0,0|1,0,1]=4 645 B13R2.371 ClC1=C2CNCCC2=C(Br)C=C1 33428 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.371 NC1=C2NCCCC2=C(F)C=C1 81007 [0,1,0,1,0,0|2,0,0]=4 647 B13R2.3683 CN1CCC2=C(C=CC(Br)=C2)C1 98419 [0,1,0,1,0,0|1,0,0]=3 648 B13R2.3683 C[C@H]1CC2=C(C=C(Br)C=C2)CN1 AT22658 [0,1,0,1,0,0|2,0,0]=4 649 B13R2.3683 C[C@H]1CC2=C(C=C(O)C=C2)CN1 96725 [0,1,0,1,0,0|2,0,0]=4 650 B13R2.32 FC1=C(Cl)C=CC2=C1CCNC2 84514 [0,1,0,1,0,0|1,0,0]=3 651 B13R2.32 FC1=C(F)C2=C(C=C1)CNCC2 AT19623 [0,1,0,1,0,0|1,0,0]=3 652 B13R2.32 FC1=C(F)C2=C(C=C1)CNCC2 AT19624 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.33 CC1=C(CCN)N=CN1 C15676 [1,0,0,0,1,0|2,0,0]=4 654 B9R1.33 CC1=C(CCN)N=CO1 AT18666 [1,0,0,0,1,0|2,0,0]=4 655 B9R1.33 CC1=C(CCN)SC=N1 D84303 [1,0,0,0,1,0|2,0,0]=4 656 B9R1.33 CN1C=CN=C1CCN AT24187 [1,0,0,0,1,0|2,0,0]=4 657 B9R1.7 CC1=CC=C(CCN)S1 31616 [1,0,0,0,1,0|1,0,0]=3 658 B9R1.7 CC1=CNC(CCN)=N1 F17871 [1,0,0,0,1,0|2,0,0]=4 659 B9R1.7 CC1=CSC(CCN)=C1 96997 [1,0,0,0,1,0|1,0,0]=3 660 B9R1.7 CC1=NC(CCN)=CO1 AT18664 [1,0,0,0,1,0|2,0,0]=4 661 B9R1.22 CC1=CC(CCl)=C(C)S1 AT17067 [1,0,0,0,1,0|2,0,0]=4 662 B9R1.22 CC1=CC(CN)=C(C)O1 AT17533 [1,0,0,0,1,0|1,0,0]=3 663 B9R1.22 CC1=CC(CN)=C(C)O1 AT17544 [1,0,0,0,1,0|1,0,0]=3 664 B9R1.22 CC1=CC(CN)=C(C)S1 AT16798 [1,0,0,0,1,0|1,0,0]=3 665 B9R1.22 CC1=CC(CO)=C(C)S1 AT16768 [1,0,0,0,1,0|2,0,0]=4 666 B9R1.22 CC1=CN(C)N=C1CN AT14390 [1,0,0,0,1,0|2,0,0]=4 667 B9R1.22 CC1=NC(C)=C(CN)S1 AC4653 [1,0,0,0,1,0|2,0,0]=4 668 B9R1.22 CN1C=C(Br)C=C1CN AT16230 [1,0,0,0,1,0|2,0,0]=4 669 B9R1.22 CN1C=C(Br)C=C1CN AT16241 [1,0,0,0,1,0|2,0,0]=4 670 B9R1.27 CC1=CSC(C)=C1CO 93334 [1,0,0,0,1,0|2,0,0]=4