0 B10R1.17 BrCCOC1=CC=CC=C1 AC-1946 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 C=CCCC1=CC=CC=C1 AC-16193 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.17 CCCCC1=CC=CN=C1 AC-7560 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 CCCCC1=NC=CC=C1 AC-7561 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 CCNCC1=CC=CN=C1 AC-7360 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 CCNCC1=CC=NC=C1 AC-23897 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 CNCCC1=CC=CC=C1 AC-2677 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 ClCCOC1=CC=CC=C1 AC-15744 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.17 NCCNC1=CC=CC=C1 AC-25457 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 NCCOC1=CC=CC=C1 AC-15743 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.17 NCCOC1=NC=CC=C1 AC-29360 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 OCCCC1=CC=CC=C1 AC-14708 [0,0,0,0,0,0|0,0,2]=2 12 B9R1.8 BrCCC1=NC=CC=C1 AC-20552 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.8 BrCCC1=NC=CC=C1 AC-34188 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 CCCC1=CC=NC=C1 AC-18478 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.8 CCOC1=NC=CC=C1 AC-23102 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 CNCC1=CC=CN=C1 AC-2640 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 ClCCC1=NC=CC=C1 AC-20553 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 NCCC1=CC=CC=N1 AC-15573 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 NCCC1=CC=CN=C1 AC-6717 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 NNCC1=CC=CC=C1 AC-1819 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 OCCC1=CC=CC=C1 AC-18484 [1,0,0,0,0,0|0,0,1]=2 22 B9R1.8 OCCC1=CN=CN=C1 AC-27275 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 OCCC1=NC=CC=C1 AC-4672 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.1 CCCCC1=CC=C(Br)C=C1 AC-14645 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.1 CCCCC1=CC=C(N)C=C1 AC-11849 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.1 CCCOC1=CC=C(I)C=C1 AC-37194 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.1 O=C\C=C/C1=CC=C(F)C=C1 AC-20487 [0,1,0,0,0,0|0,0,2]=3 28 B11R1.1 OCCCC1=CC=C(Br)C=C1 AC-26947 [0,1,0,0,0,0|0,0,2]=3 29 B11R1.1 OCCOC1=CC=C(Br)C=C1 AC-29832 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.16 CCOC(=O)C1=CC=CN=C1 AC-22480 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.16 CCOC(=O)C1=CC=NC=C1 AC-22479 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.16 CCOC(=O)C1=NC=CC=C1 AC-22481 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.16 CN(CCO)C1=NC=CC=C1 AC-3460 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.16 N#CCC(=O)C1=CC=CC=C1 AC-20652 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.16 NC(CCO)C1=CC=CC=C1 AC-5728 [0,1,0,0,0,0|0,0,2]=3 36 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 AC-071 [0,1,0,0,0,0|0,0,2]=3 37 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 AC-5696 [0,1,0,0,0,0|0,0,2]=3 38 B11R1.16 O=C(CCCl)C1=CC=CC=C1 AC-258 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.16 O=C(NCO)C1=CC=CC=C1 AC-19077 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.16 O=C(NCO)C1=CN=CC=C1 AC-6974 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 AC-6655 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.24 CCNCC1=CC(Br)=CC=C1 AC-2680 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.24 CCNCC1=CC(F)=CC=C1 AC-2713 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.24 OCCCC1=CC(O)=CC=C1 AC-9300 [0,1,0,0,0,0|0,0,2]=3 45 B11R1.28 BrCCCCC1=CC=CC=C1 AC-16206 [0,1,0,0,0,0|1,0,2]=4 46 B11R1.28 BrCCCOC1=CC=CC=C1 AC-20351 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.28 BrCCOCC1=CC=CC=C1 AC-30867 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.28 ClCCOCC1=CC=CC=C1 AC-20352 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.28 NCCOCC1=CC=CC=C1 AC-23189 [0,1,0,0,0,0|1,0,2]=4 50 B11R1.28 NCCOCC1=CC=CC=C1 AC-23229 [0,1,0,0,0,0|1,0,2]=4 51 B11R1.28 OCCCCC1=CC=CC=C1 AC-23988 [0,1,0,0,0,0|0,0,2]=3 52 B11R1.28 OCCCCC1=CC=NC=C1 AC-8870 [0,1,0,0,0,0|1,0,2]=4 53 B11R1.28 OCCCNC1=NC=CC=C1 AC-17666 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.40 C(=O)\C(Br)=C\C1=CC=CC=C1 AC-11193 [0,1,0,0,0,0|0,0,2]=3 55 B11R1.40 NC(CO)CC1=CC=CC=C1 AC-24150 [0,1,0,0,0,0|0,0,2]=3 56 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC-16295 [0,1,0,0,0,0|0,0,2]=3 57 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 AC-5650 [0,1,0,0,0,0|0,0,2]=3 58 B11R1.40 [C@@H](N)(CO)CC1=CC=CC=C1 AC-22383 [0,1,0,0,0,0|0,0,2]=3 59 B11R1.91 CC(N)CCC1=CC=CC=C1 AC-8354 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.91 O=C(O)CNC1=CC=CC=C1 AC-13995 [0,1,0,0,0,0|1,0,2]=4 61 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 AC-34658 [0,1,0,0,0,0|0,0,1]=2 62 B11R1.91 OB(O)CCC1=CC=CC=C1 AC-5344 [0,1,0,0,0,0|1,0,2]=4 63 B11R2.1 BrC1=CNC2=C1C=CC=C2 AC-882 [0,0,0,1,0,0|2,0,1]=4 64 B11R2.1 CC1=CNC2=CC=CC=C12 AC-13010 [0,0,0,1,0,0|2,0,1]=4 65 B11R2.1 CC1=COC2=CC=CC=C12 AC-20991 [0,0,0,1,0,0|2,0,1]=4 66 B11R2.1 CC1=CSC2=CC=CC=C12 AC-16554 [0,0,0,1,0,0|2,0,1]=4 67 B11R2.1 CN1C=CC2=CC=CC=C21 AC-19059 [0,0,0,1,0,0|2,0,0]=3 68 B11R2.1 CN1C=NC2=CC=CC=C21 AC-24249 [0,0,0,1,0,0|3,0,0]=4 69 B11R2.1 ClC1=CNC2=C1C=CC=C2 AC-25149 [0,0,0,1,0,0|2,0,1]=4 70 B11R2.1 ClC1CCC2=CC=CC=C21 AC-3552 [0,0,0,1,0,0|1,0,2]=4 71 B11R2.1 IC1=CNC2=C1C=CC=C2 AC-28358 [0,0,0,1,0,0|2,0,1]=4 72 B11R2.1 NC1CCC2=C1C=CC=C2 AC-3212 [0,0,0,1,0,0|1,0,2]=4 73 B11R2.1 NC1CCC2=CC=CC=C21 AC-4420 [0,0,0,1,0,0|1,0,2]=4 74 B11R2.1 NC1CCC2=CC=CC=C21 AC-9026 [0,0,0,1,0,0|1,0,2]=4 75 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 AC-5905 [0,0,0,1,0,0|1,0,2]=4 76 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 AC-6132 [0,0,0,1,0,0|1,0,2]=4 77 B11R2.1 N[C@H]1CCC2=CC=CC=C21 AC-5906 [0,0,0,1,0,0|1,0,2]=4 78 B11R2.1 OC1=NOC2=CC=CC=C21 AC-26513 [0,0,0,1,0,0|2,0,1]=4 79 B11R2.1 ON1N=NC2=CC=CC=C21 AC-2558 [0,0,0,1,0,0|3,0,0]=4 80 B11R2.1 ON1N=NC2=CC=CC=C21 AC-493 [0,0,0,1,0,0|3,0,0]=4 81 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 AC-15970 [0,0,0,1,0,0|1,0,2]=4 82 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 AC-29453 [0,0,0,1,0,0|1,0,2]=4 83 B11R2.20 C1=CC2=CN=CC=C2N=C1 AC-7911 [0,0,0,1,0,0|2,0,1]=4 84 B11R2.20 C1=CC=C2CC=CCC2=C1 AC-20980 [0,0,0,1,0,0|1,0,2]=4 85 B11R2.20 C1=CC=C2COCCC2=C1 AC-5320 [0,0,0,1,0,0|2,0,1]=4 86 B11R2.20 C1=CC=C2N=CN=CC2=C1 AC-18352 [0,0,0,1,0,0|2,0,1]=4 87 B11R2.20 C1=CC=C2NCCCC2=C1 AC-2531 [0,0,0,1,0,0|1,0,2]=4 88 B11R2.20 C1=CC=C2NCCNC2=C1 AC-5240 [0,0,0,1,0,0|2,0,1]=4 89 B11R2.20 C1=CC=C2OCCNC2=C1 AC-22915 [0,0,0,1,0,0|1,0,1]=3 90 B11R2.20 C1=CC=C2OCCOC2=C1 AC-16416 [0,0,0,1,0,0|1,0,1]=3 91 B11R2.20 C1=CN=C2C=CC=NC2=C1 AC-7912 [0,0,0,1,0,0|2,0,1]=4 92 B11R2.20 C1=CN=C2N=CC=CC2=C1 AC-9573 [0,0,0,1,0,0|2,0,1]=4 93 B11R2.988 OCC1CC2=CC=CC=C21 AC-503 [0,0,0,1,0,0|0,0,2]=3 94 B8R1.2 BrCC1=CC=CN=C1 AC-2598 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.2 BrCC1=CC=NC=C1 AC-25730 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.2 CNC1=NC=CC=C1 AC-13257 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.2 COC1=CC=CN=C1 AC-33353 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.2 COC1=CC=NC=C1 AC-7005 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.2 COC1=NC=CC=C1 AC-15188 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.2 ClCC1=CC=CN=C1 AC-2905 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.2 ClCC1=CC=NC=C1 AC-5103 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.2 ClCC1=NC=CC=C1 AC-1647 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.2 N#CC1=CC=CC=C1 AC-18110 [2,0,0,0,0,0|1,0,1]=4 104 B8R1.2 N#CC1=CC=CC=C1 AC-4986 [2,0,0,0,0,0|1,0,1]=4 105 B8R1.2 NCC1=CC=CN=C1 AC-3071 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.2 NCC1=CC=NC=C1 AC-27372 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.2 O=CC1=CC=CC=N1 AC-5098 [2,0,0,0,0,0|1,0,1]=4 108 B8R1.2 O=CC1=CC=CN=C1 AC-2428 [2,0,0,0,0,0|1,0,1]=4 109 B8R1.2 O=CC1=CC=NC=C1 AC-2103 [2,0,0,0,0,0|1,0,1]=4 110 B8R1.2 OCC1=CC=NC=C1 AC-8251 [2,0,0,0,0,0|1,0,0]=3 111 B8R1.2 OCC1=CN=CC=C1 AC-15599 [2,0,0,0,0,0|1,0,0]=3 112 B8R1.2 OCC1=CN=CN=C1 AC-22329 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.2 OCC1=NC=CC=N1 AC-22795 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.1 CNCC1=CC=C(Br)C=C1 AC-2707 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.1 CNCC1=CC=C(Cl)C=C1 AC-26481 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.1 CNCC1=CC=C(F)C=C1 AC-2708 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.1 ClC1=CC=C(CCBr)C=C1 AC-8944 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.1 FC1=CC=C(CCBr)C=C1 AC-5230 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.1 NCCC1=CC=C(Br)C=C1 AC-185 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.1 NCCC1=CC=C(Cl)C=C1 AC-13735 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.1 NCCC1=CC=C(Cl)C=C1 AC-27039 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.1 NCCC1=CC=C(N)C=C1 AC-6719 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.1 NCCC1=CC=C(O)C=C1 AC-16250 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.1 O=CCC1=CC=C(Br)C=C1 AC-25620 [1,1,0,0,0,0|0,0,2]=4 125 B10R1.1 OCCC1=CC=C(Br)C=C1 AC-2689 [1,1,0,0,0,0|0,0,1]=3 126 B10R1.1 OCCC1=CC=C(F)C=C1 AC-22742 [1,1,0,0,0,0|0,0,1]=3 127 B10R1.1 OCCC1=CC=C(O)C=C1 AC-2493 [1,1,0,0,0,0|0,0,1]=3 128 B10R1.4 CNCC1=CC=CC=C1Br AC-7266 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.4 CNCC1=CC=CC=C1F AC-7267 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.4 NC1=CC=CC=C1CCO AC-067 [1,1,0,0,0,0|0,0,1]=3 131 B10R1.4 NC1=NC=CC=C1CCO AC-28212 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.4 NCCC1=CC=CC=C1Cl AC-6667 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.4 NCCC1=CC=CC=C1N AC-6721 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.10 BrCCC1=CC(Br)=CC=C1 AC-25646 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.10 CNCC1=CC(Br)=CC=C1 AC-9496 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.10 CNCC1=CC(F)=CC=C1 AC-2712 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.10 CNCC1=CC(N)=CC=C1 AC-20549 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.10 NCCC1=CC(Cl)=CC=C1 AC-6666 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.10 NCCC1=CC=CC(Br)=C1 AC-6691 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.10 NCCC1=CC=CC(N)=C1 AC-6720 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.10 OCCC1=CC(Br)=CC=C1 AC-23078 [1,1,0,0,0,0|0,0,1]=3 142 B10R1.15 CCC(=O)C1=CC=CN=C1 AC-15148 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.15 COC(=O)C1=CC=CN=C1 AC-22482 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.15 COC(=O)C1=CC=NC=C1 AC-3093 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.15 COC(=O)C1=NC=CC=C1 AC-22483 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.15 NC(CO)C1=CC=CC=C1 AC-24149 [1,1,0,0,0,0|0,0,1]=3 147 B10R1.15 NCC(=O)C1=CC=CC=C1 AC-1237 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.15 NCC(=O)C1=CC=CC=C1 AC-22359 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.15 NC[C@H](O)C1=CC=CC=C1 AC-9145 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 AC-6755 [1,1,0,0,0,0|0,0,1]=3 151 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC-5679 [1,1,0,0,0,0|0,0,1]=3 152 B10R1.15 N[C@H](CO)C1=CC=CC=C1 AC-5680 [1,1,0,0,0,0|0,0,1]=3 153 B10R1.15 N\C(=N/O)C1=CC=CN=C1 AC-5537 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.15 O=C(CBr)C1=CC=CC=C1 AC-22360 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.15 O=C(CBr)C1=CC=NC=C1 AC-23156 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.15 O=C(CBr)C1=CN=CC=C1 AC-37059 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.15 O=C(CO)C1=CC=CC=C1 AC-13228 [1,1,0,0,0,0|0,0,0]=2 158 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 AC-5684 [1,1,0,0,0,0|0,0,1]=3 159 B10R1.15 OC[C@H](O)C1=CC=CC=C1 AC-5683 [1,1,0,0,0,0|0,0,1]=3 160 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 AC-5647 [1,1,0,0,0,0|0,0,1]=3 161 B10R1.18 CC(=O)CC1=CC=NC=C1 AC-19864 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.18 CC(C)NC1=CC=CC=C1 AC-14912 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.18 CN(C)CC1=CC=CC=C1 AC-10211 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.18 C[C@@H](Cl)CC1=CC=CC=C1 AC-18761 [1,1,0,0,0,0|0,0,2]=4 165 B10R1.18 NC(=O)CC1=CC=CC=C1 AC-24581 [1,1,0,0,0,0|0,0,2]=4 166 B10R1.18 NC(=S)NC1=CC=CC=C1 AC-13462 [1,1,0,0,0,0|1,1,0]=4 167 B10R1.18 O=C(O)CC1=CC=CN=C1 AC-24998 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.18 O=C(O)CC1=CC=CN=C1 AC-2507 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.18 O=C(O)CC1=CC=NC=C1 AC-1346 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.18 O=C(O)CC1=CC=NC=C1 AC-6580 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.18 O=C(O)CC1=NC=CC=C1 AC-27705 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.18 O=C(O)CC1=NC=CC=C1 AC-2897 [1,1,0,0,0,0|1,0,1]=4 173 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 AC-15551 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 AC-8125 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 AC-8127 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 AC-34532 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 AC-16321 [0,2,0,0,0,0|1,0,1]=4 178 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 AC-23996 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 AC-1222 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 AC-2401 [0,2,0,0,0,0|0,0,1]=3 181 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 AC-10323 [0,2,0,0,0,0|0,0,1]=3 182 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 AC-10322 [0,2,0,0,0,0|0,0,1]=3 183 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 AC-10329 [0,2,0,0,0,0|0,0,1]=3 184 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC-34130 [0,2,0,0,0,0|0,0,1]=3 185 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 AC-34133 [0,2,0,0,0,0|0,0,1]=3 186 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 AC-18518 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.49 CC1=CC=C(SC(=O)CCl)C=C1 AC-22747 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 AC-16697 [0,2,0,0,0,0|0,0,2]=4 189 B12R1.69 NC1=CC=C(OCCO)C(N)=C1 AC-8295 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.71 COC1=CC=C(CCCO)C=C1 AC-8529 [0,2,0,0,0,0|0,0,2]=4 191 B12R1.71 O=CC1=CC=C(OCCO)C=C1 AC-18202 [0,2,0,0,0,0|1,0,1]=4 192 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 AC-20571 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.30 CN(\C=C\C=O)C1=CC=CC=C1 AC-26821 [0,2,0,0,0,0|0,0,2]=4 194 B12R1.30 CNCCC(=O)C1=CC=CC=C1 AC-20003 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 AC-23668 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 AC-10002 [0,2,0,0,0,0|0,0,2]=4 197 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 AC-10012 [0,2,0,0,0,0|0,0,2]=4 198 B12R1.308 O=C(NCO)C1=CC=CC=C1O AC-22892 [0,2,0,0,0,0|1,0,0]=3 199 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 AC-14118 [0,2,0,0,0,0|0,0,1]=3 200 B12R1.100 OCCSC1=CC(Cl)=CC(Cl)=C1 AC-16472 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 AC-14172 [0,2,0,0,0,0|0,0,1]=3 202 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 AC-3070 [0,2,0,0,0,0|0,0,1]=3 203 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 AC-16619 [0,2,0,0,0,0|0,0,1]=3 204 B12R1.8 OCCCNCC1=CC=CC=C1 AC-7182 [0,2,0,0,0,0|0,0,2]=4 205 B12R1.8 OCCCOCC1=CC=CC=C1 AC-25474 [0,2,0,0,0,0|0,0,2]=4 206 B12R1.27 CCC(=O)OCC1=CC=CC=C1 AC-17034 [0,2,0,0,0,0|1,0,1]=4 207 B12R1.27 NCC(=O)OCC1=CC=CC=C1 AC-14338 [0,2,0,0,0,0|1,0,1]=4 208 B12R1.27 NCC(=O)OCC1=CC=CC=C1 AC-8560 [0,2,0,0,0,0|1,0,1]=4 209 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 AC-16894 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.32 CN(CCO)CC1=CC=CC=C1 AC-5627 [0,2,0,0,0,0|0,0,2]=4 211 B12R1.252 O=C(O)CCCC1=CC=CC=C1 AC-3254 [0,2,0,0,0,0|0,0,2]=4 212 B12R1.252 O=C(O)CCOC1=CC=CC=C1 AC-16675 [0,2,0,0,0,0|1,0,1]=4 213 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AC-19213 [0,2,0,0,0,0|1,0,1]=4 214 B12R1.252 O=C(O)CNCC1=CC=CC=C1 AC-2979 [0,2,0,0,0,0|1,0,1]=4 215 B12R1.252 O=C(O)COCC1=CC=CC=C1 AC-20344 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.43 C\C(=C/C1=CC=CC=C1)N(=O)=O AC-5285 [0,2,0,0,0,0|1,0,1]=4 217 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 AC-116009 [0,2,0,0,0,0|0,0,2]=4 218 B10R1.30 CC1=CC=C(N)C(CO)=C1 AC-7252 [0,0,1,1,0,0|1,0,1]=4 219 B10R1.30 NC1=CC=C(Cl)C=C1CO AC-17882 [0,0,1,1,0,0|2,0,0]=4 220 B10R1.30 OCC1=C(Br)C=CC(F)=C1 AC-2309 [0,0,1,1,0,0|2,0,0]=4 221 B10R1.30 OCC1=C(Br)C=CC(O)=C1 AC-30750 [0,0,1,1,0,0|2,0,0]=4 222 B10R1.30 OCC1=C(Cl)C=CC(Br)=C1 AC-4155 [0,0,1,1,0,0|2,0,0]=4 223 B10R1.30 OCC1=C(F)C=CC(Br)=C1 AC-4160 [0,0,1,1,0,0|2,0,0]=4 224 B10R1.30 OCC1=C(F)C=CC(F)=C1 AC-9734 [0,0,1,1,0,0|2,0,0]=4 225 B10R1.30 OCC1=CC(Br)=CC=C1O AC-23739 [0,0,1,1,0,0|2,0,0]=4 226 B10R1.30 OCC1=CC(I)=CC=C1Br AC-30706 [0,0,1,1,0,0|2,0,0]=4 227 B10R1.172 COC1=CC=CC(CO)=C1 AC-10897 [0,0,1,1,0,0|1,0,1]=4 228 B10R1.172 OCC1=CC=CC(CO)=C1 AC-17032 [0,0,1,1,0,0|1,0,1]=4 229 B10R2.6 C1=CC=C(C2CO2)C=C1 AC-9510 [1,0,0,1,0,0|0,0,1]=3 230 B10R2.6 C1=CC=C(C2CO2)C=C1 AC-9511 [1,0,0,1,0,0|0,0,1]=3 231 B10R2.7 C1=CC2=C(C=C1)CNC2 AC-1204 [1,0,0,1,0,0|1,0,1]=4 232 B10R2.7 C1=CC2=C(C=C1)CNC2 AC-20744 [1,0,0,1,0,0|1,0,1]=4 233 B10R2.7 C1=CC2=CC=NC=C2N1 AC-1651 [1,0,0,1,0,0|2,0,0]=4 234 B10R2.7 C1=CC2=CN=CC=C2N1 AC-860 [1,0,0,1,0,0|2,0,0]=4 235 B10R2.7 C1=CC2=NC=CN2C=C1 AC-23329 [1,0,0,1,0,0|2,0,0]=4 236 B10R2.7 C1=CC=C2NCCC2=C1 AC-531 [1,0,0,1,0,0|1,0,1]=4 237 B10R2.7 C1=CC=C2NNCC2=C1 AC-14734 [1,0,0,1,0,0|2,0,0]=4 238 B10R2.7 C1=CC=C2OCCC2=C1 AC-7075 [1,0,0,1,0,0|0,0,1]=3 239 B10R2.7 C1=CC=C2SC=NC2=C1 AC-3297 [1,0,0,1,0,0|1,1,0]=4 240 B10R2.7 C1=CN=C2C=CNC2=C1 AC-088 [1,0,0,1,0,0|2,0,0]=4 241 B10R2.7 C1=CN=C2NC=CC2=C1 AC-1215 [1,0,0,1,0,0|2,0,0]=4 242 B10R2.7 C1=NNC2=CC=CC=C12 AC-36248 [1,0,0,1,0,0|2,0,0]=4 243 B10R2.320 BrC1CC2=CC=CC=C21 AC-154 [1,0,0,1,0,0|1,0,1]=4 244 B10R2.320 O=C1CC2=CC=CC=C12 AC-101 [1,0,0,1,0,0|0,0,2]=4 245 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 AC-3107 [0,1,0,1,0,0|1,0,1]=4 246 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 AC-2815 [0,1,0,1,0,0|1,0,1]=4 247 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 AC-1472 [0,1,0,1,0,0|1,0,1]=4 248 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 AC-3304 [0,1,0,1,0,0|2,0,0]=4 249 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 AC-3293 [0,1,0,1,0,0|1,0,1]=4 250 B12R2.24 BrC1=CC=C2NCCOC2=C1 AC-22914 [0,1,0,1,0,0|1,0,1]=4 251 B12R2.24 BrC1=CC=C2OCCCC2=C1 AC-26725 [0,1,0,1,0,0|0,0,2]=4 252 B12R2.24 BrC1=COC2=CC=CC=C2O1 AC-16351 [0,1,0,1,0,0|1,0,1]=4 253 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 AC-6956 [0,1,0,1,0,0|1,0,1]=4 254 B12R2.24 BrC1=NC=C2C=CC=CC2=C1 AC-28297 [0,1,0,1,0,0|2,0,0]=4 255 B12R2.24 CC1=CC2=CC=CC=C2C=C1 AC-615 [0,1,0,1,0,0|1,0,1]=4 256 B12R2.24 CC1=CC2=CC=CC=C2N=C1 AC-27345 [0,1,0,1,0,0|1,0,1]=4 257 B12R2.24 CC1=CC=C2C=NC=CC2=C1 AC-3170 [0,1,0,1,0,0|2,0,0]=4 258 B12R2.24 CC1=CC=C2N=CC=CC2=C1 AC-5219 [0,1,0,1,0,0|1,0,1]=4 259 B12R2.24 C[C@@H]1CC2=CC=CC=C2C=N1 AC-17697 [0,1,0,1,0,0|2,0,0]=4 260 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 AC-13048 [0,1,0,1,0,0|1,0,1]=4 261 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 AC-23204 [0,1,0,1,0,0|2,0,0]=4 262 B12R2.24 ClC1=CC2=NC=CC=C2C=C1 AC-6212 [0,1,0,1,0,0|1,0,1]=4 263 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 AC-5982 [0,1,0,1,0,0|1,0,1]=4 264 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 AC-2439 [0,1,0,1,0,0|1,0,1]=4 265 B12R2.24 FC1=CC=C2N=CC=CC2=C1 AC-3296 [0,1,0,1,0,0|1,0,1]=4 266 B12R2.24 NC1=CC2=C(C=C1)OCCN2 AC-17558 [0,1,0,1,0,0|1,0,1]=4 267 B12R2.24 NC1=CC2=C(C=C1)OCCO2 AC-9464 [0,1,0,1,0,0|1,0,1]=4 268 B12R2.24 NC1=CC2=CC=CC=C2C=N1 AC-26693 [0,1,0,1,0,0|2,0,0]=4 269 B12R2.24 NC1=CC2=CC=CC=C2N=C1 AC-15004 [0,1,0,1,0,0|1,0,1]=4 270 B12R2.24 NC1=CC=C2C=NC=CC2=C1 AC-5990 [0,1,0,1,0,0|2,0,0]=4 271 B12R2.24 NC1=CC=C2N=CC=CC2=C1 AC-4708 [0,1,0,1,0,0|1,0,1]=4 272 B12R2.24 NC1=NC2=CC=CC=C2C=C1 AC-13271 [0,1,0,1,0,0|1,0,1]=4 273 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 AC-29384 [0,1,0,1,0,0|0,0,2]=4 274 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 AC-3056 [0,1,0,1,0,0|0,0,2]=4 275 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 AC-27927 [0,1,0,1,0,0|1,0,1]=4 276 B12R2.24 O=C1CCC2=CC=CC=C2N1 AC-3329 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.24 O=C1CCC2=CC=CC=C2O1 AC-34197 [0,1,0,1,0,0|2,0,0]=4 278 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 AC-29525 [0,1,0,1,0,0|2,0,0]=4 279 B12R2.24 O=C1COC2=CC=CC=C2N1 AC-23158 [0,1,0,1,0,0|1,0,0]=3 280 B12R2.24 O=C1COC2=CC=CN=C2N1 AC-23079 [0,1,0,1,0,0|2,0,0]=4 281 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 AC-10464 [0,1,0,1,0,0|0,0,1]=3 282 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 AC-9567 [0,1,0,1,0,0|1,0,1]=4 283 B12R2.24 OC1=CC2=CC=CC=C2C=N1 AC-7300 [0,1,0,1,0,0|1,0,1]=4 284 B12R2.24 OC1=CC2=CC=CC=C2N=C1 AC-22551 [0,1,0,1,0,0|1,0,1]=4 285 B12R2.24 OC1=CC=C2C=CC=NC2=C1 AC-1414 [0,1,0,1,0,0|1,0,1]=4 286 B12R2.24 OC1=CC=C2N=CC=CC2=C1 AC-5108 [0,1,0,1,0,0|1,0,1]=4 287 B12R2.24 OC1=CC=C2OCCOC2=C1 AC-33820 [0,1,0,1,0,0|1,0,1]=4 288 B12R2.24 OC1=NC2=CC=CC=C2N=C1 AC-23582 [0,1,0,1,0,0|1,0,1]=4 289 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 AC-18802 [0,1,0,1,0,0|0,0,1]=3 290 B12R2.2 C1=CC=C(C2=CNN=N2)C=C1 AC-26697 [0,1,0,1,0,0|2,0,0]=4 291 B12R2.2 C1=CC=C(C2=CSC=C2)C=C1 AC-4933 [0,1,0,1,0,0|0,1,1]=4 292 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 AC-8733 [0,1,0,1,0,0|1,0,1]=4 293 B12R2.2 C1=CC=C(C2=NCCN2)C=C1 AC-11337 [0,1,0,1,0,0|1,0,1]=4 294 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 AC-23138 [0,1,0,1,0,0|1,0,1]=4 295 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 AC-20751 [0,1,0,1,0,0|1,0,1]=4 296 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 AC-1259 [0,1,0,1,0,0|1,0,1]=4 297 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 AC-1503 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 AC-1231 [0,1,0,1,0,0|1,0,1]=4 299 B12R2.1081 BrC1=CC=CC2=CN=CC=C12 AC-2582 [0,1,0,1,0,0|2,0,0]=4 300 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 AC-7496 [0,1,0,1,0,0|1,0,1]=4 301 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 AC-2847 [0,1,0,1,0,0|1,0,1]=4 302 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 AC-1444 [0,1,0,1,0,0|1,0,1]=4 303 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 AC-5093 [0,1,0,1,0,0|1,0,1]=4 304 B12R2.1081 ClC1=C2C=CC=CC2=NN=C1 AC-27097 [0,1,0,1,0,0|2,0,0]=4 305 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 AC-23128 [0,1,0,1,0,0|1,0,1]=4 306 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 AC-23135 [0,1,0,1,0,0|1,0,1]=4 307 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 AC-23203 [0,1,0,1,0,0|1,0,1]=4 308 B12R2.1081 FC1=C2N=CC=CC2=CC=C1 AC-3295 [0,1,0,1,0,0|1,0,1]=4 309 B12R2.1081 FC1=CC=CC2=CC=CC=C12 AC-31039 [0,1,0,1,0,0|1,0,1]=4 310 B12R2.1081 IC1=CC=NC2=CC=CC=C12 AC-25798 [0,1,0,1,0,0|1,0,1]=4 311 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 AC-7303 [0,1,0,1,0,0|2,0,0]=4 312 B12R2.1081 NC1=CC=CC2=C1N=CC=C2 AC-10209 [0,1,0,1,0,0|1,0,1]=4 313 B12R2.1081 NC1=CC=CC2=CC=CC=C12 AC-10635 [0,1,0,1,0,0|1,0,1]=4 314 B12R2.1081 NC1=CC=CC2=CC=NC=C12 AC-9389 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.1081 NC1=CC=CC2=NC=CC=C12 AC-2879 [0,1,0,1,0,0|1,0,1]=4 316 B12R2.1081 NC1=CC=NC2=CC=CC=C12 AC-1256 [0,1,0,1,0,0|1,0,1]=4 317 B12R2.1081 NC1=CN=CC2=CC=CC=C12 AC-24179 [0,1,0,1,0,0|1,0,1]=4 318 B12R2.1081 NC1=CN=NC2=CC=CC=C12 AC-27098 [0,1,0,1,0,0|2,0,0]=4 319 B12R2.1081 NC1CCOC2=C1C=CC=C2 AC-29328 [0,1,0,1,0,0|0,0,2]=4 320 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 AC-29327 [0,1,0,1,0,0|0,0,2]=4 321 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AC-29326 [0,1,0,1,0,0|0,0,2]=4 322 B12R2.1081 O=C1C=NNC2=CC=CC=C12 AC-27099 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AC-6869 [0,1,0,1,0,0|1,0,1]=4 324 B12R2.1081 O=C1CCNC2=C1C=CC=C2 AC-29666 [0,1,0,1,0,0|1,0,1]=4 325 B12R2.1081 O=C1CCOC2=CC=CC=C12 AC-3079 [0,1,0,1,0,0|0,0,1]=3 326 B12R2.1081 O=C1NCCC2=CC=CC=C12 AC-5218 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 AC-14590 [0,1,0,1,0,0|1,0,1]=4 328 B12R2.1081 OC1=CC=CC2=CC=CN=C12 AC-19824 [0,1,0,1,0,0|1,0,1]=4 329 B12R2.1081 OC1=CC=CC2=CC=CN=C12 AC-5109 [0,1,0,1,0,0|1,0,1]=4 330 B12R2.1081 OC1=CC=CC2=NC=CC=C12 AC-5221 [0,1,0,1,0,0|1,0,1]=4 331 B12R2.1081 OC1=CC=NC2=CC=CC=C12 AC-516 [0,1,0,1,0,0|0,0,1]=3 332 B12R2.1081 OC1=NC=CC2=CC=CC=C21 AC-3150 [0,1,0,1,0,0|0,0,1]=3 333 B12R2.1081 OC1=NC=NC2=CC=CC=C21 AC-2419 [0,1,0,1,0,0|1,0,1]=4 334 B12R2.1081 [O-]C1=C2N=CC=CC2=CC=C1 AC-7832 [0,1,0,1,0,0|1,0,1]=4 335 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 AC-23412 [0,1,0,1,0,0|1,0,1]=4 336 B12R2.32 ClCC1=NC2=CC=CC=C2N1 AC-22880 [0,1,0,1,0,0|2,0,0]=4 337 B12R2.32 NCC1=NC2=CC=CC=C2N1 AC-29481 [0,1,0,1,0,0|2,0,0]=4 338 B12R2.32 O=CC1=CC2=CC=CC=C2N1 AC-4322 [0,1,0,1,0,0|0,0,2]=4 339 B12R2.32 OCC1=CC2=C(C=CC=C2)S1 AC-28053 [0,1,0,1,0,0|0,0,0]=2 340 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 AC-2928 [0,1,0,1,0,0|1,0,0]=3 341 B12R2.612 CN1C=CC2=CC(N)=CC=C21 AC-6688 [0,1,0,1,0,0|2,0,0]=4 342 B12R2.1 BrCC1=NOC2=CC=CC=C21 AC-178 [0,1,0,1,0,0|2,0,0]=4 343 B12R2.1 N#CC1=CNC2=CC=CC=C12 AC-27780 [0,1,0,1,0,0|1,0,1]=4 344 B12R2.1 NCC1=CNC2=C1C=CC=C2 AC-29759 [0,1,0,1,0,0|1,0,0]=3 345 B12R2.1 O=CC1=CNC2=CC=CC=C12 AC-23425 [0,1,0,1,0,0|0,0,2]=4 346 B12R2.1 O=CC1=CSC2=CC=CC=C12 AC-1053 [0,1,0,1,0,0|0,0,2]=4 347 B12R2.1 OCC1=CNC2=CC=CC=C12 AC-7583 [0,1,0,1,0,0|0,0,0]=2 348 B12R2.1 OCC1=COC2=CC=CC=C12 AC-26874 [0,1,0,1,0,0|0,0,0]=2 349 B12R2.1 OCC1=NNC2=CC=CC=C21 AC-25003 [0,1,0,1,0,0|1,0,0]=3 350 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 AC-18289 [0,1,0,1,0,0|0,0,2]=4 351 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 AC-18290 [0,1,0,1,0,0|0,0,2]=4 352 B12R2.18 CC1=CC2=C(C=CC=C2)N1C AC-28904 [0,1,0,1,0,0|2,0,0]=4 353 B12R2.18 CC1=NC2=CC=CC=C2C1C AC-19062 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.8 OCCC1=CC=CS1 AC-6274 [1,0,0,0,1,0|1,0,1]=4