0 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 CNNCC1=CC=CC=C1 30192 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 NCC#CC1=CC=CC=C1 AB10164 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 NCCCC1=CC=NC=C1 S12068 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 NCCNC1=NC=CC=N1 C72507 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.17 NCCOC1=CC=NC=C1 F31099 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.17 NCCOC1=CC=NC=C1 Y10522 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.17 OCC#CC1=CC=NC=C1 31862 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.17 OCCOC1=CN=CC=C1 D86242 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.17 OC\C=C\C1=NC=CC=C1 AC7737 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.17 SCCCC1=CC=NC=C1 F18251 [0,0,0,0,0,0|2,1,0]=3 18 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.8 BrCCC1=CC=NC=C1 C71689 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CNCC1=CC=NC=C1 AR1712 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 ClCCC1=CC=NC=C1 O11064 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 NCCC1=NC=CC=N1 P15951 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.8 NCCC1=NC=NC=C1 P18517 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.8 NNCC1=CC=CN=C1 78930 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 NNCC1=CC=NC=C1 37009 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 NNCC1=CC=NC=C1 BL009189 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 NNCC1=NC=CC=C1 78929 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 OCCC1=CN=CN=C1 27368 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.1 C#CCOC1=CC=C(Cl)C=C1 W16039 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.1 CC1=NC=C(CCCN)C=C1 73040 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 C72197 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.1 NCCNC1=NC=C(Br)C=C1 52009 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [0,1,0,0,0,0|1,0,2]=4 56 B11R1.1 OCCNC1=NC=C(F)C=C1 W16644 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.1 OCCOC1=CC=C(Br)C=C1 AC1411 [0,1,0,0,0,0|0,0,0]=1 58 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 A11786 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 AC6619 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.17 C#CCOC1=C(O)C=CC=C1 W16056 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.17 C=CCOC1=C(O)C=CC=C1 H11445 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.17 CC1=C(NCCO)C=CC=C1 29426 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.17 CC1=C(OCCBr)C=CC=C1 71086 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.17 COCOC1=C(I)C=CN=C1 W18233 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.17 FC1=C(OCCBr)C=CC=C1 F50418 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.17 NCCCN1C=CC=CC1=O F15206 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [0,1,0,0,0,0|1,0,2]=4 91 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.24 CC1=CC=CC(OCCBr)=C1 D86494 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.24 CC1=CC=CC(OCCN)=C1 30931 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.24 CCCOC1=NC(C)=CN=C1 C76147 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.24 FC1=CC=CC(OCCBr)=C1 71908 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.24 FCCOC1=CC(Cl)=NN=C1 C72380 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 BL006488 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.24 OCCNC1=CC=CC(Cl)=N1 F15550 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [0,1,0,0,0,0|1,1,0]=3 109 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.28 ICCOCC1=CC=CC=C1 70075 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.28 NCCCOC1=CC=CC=C1 76995 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.28 NCCSSC1=NC=CC=C1 29042 [0,1,0,0,0,0|2,1,0]=4 120 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.28 OCCCCC1=NC=CC=C1 30660 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 81451 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,1,0,0,0,0|0,0,2]=3 138 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 D70623 [0,1,0,0,0,0|2,0,1]=4 144 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,1,0,0|2,0,1]=4 145 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,0,0,1,0,0|3,0,0]=4 146 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,1,0,0|3,0,0]=4 147 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [0,0,0,1,0,0|2,0,0]=3 148 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [0,0,0,1,0,0|1,0,2]=4 149 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,0,0,1,0,0|3,0,0]=4 150 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,0,0,1,0,0|3,0,0]=4 151 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,0,0,1,0,0|3,0,0]=4 152 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,0,0,1,0,0|3,0,0]=4 153 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [0,0,0,1,0,0|1,0,2]=4 154 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [0,0,0,1,0,0|1,0,2]=4 155 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,1,0,0|0,1,2]=4 156 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,0,0,1,0,0|2,0,1]=4 157 B11R2.1 OC1=NOC2=NC=CC=C12 A51240 [0,0,0,1,0,0|2,0,1]=4 158 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,0,0,1,0,0|1,0,0]=2 159 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,0,0,1,0,0|2,0,0]=3 160 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,0,0,1,0,0|2,0,0]=3 161 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,0,0,1,0,0|2,0,0]=3 162 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,0,0,1,0,0|2,0,0]=3 163 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,0,0,1,0,0|2,0,0]=3 164 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [0,0,0,1,0,0|1,0,0]=2 165 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [0,0,0,1,0,0|2,0,0]=3 166 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [0,0,0,1,0,0|2,0,0]=3 167 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [0,0,0,1,0,0|2,0,0]=3 168 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [0,0,0,1,0,0|2,0,0]=3 169 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [0,0,0,1,0,0|2,0,0]=3 170 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,0,0,1,0,0|1,0,0]=2 171 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [0,0,0,1,0,0|3,0,0]=4 172 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [0,0,0,1,0,0|1,0,1]=3 173 B11R2.20 C1=CC2=C(C=N1)NCCO2 84112 [0,0,0,1,0,0|2,0,0]=3 174 B11R2.20 C1=CC2=C(C=N1)OCCN2 83898 [0,0,0,1,0,0|2,0,0]=3 175 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [0,0,0,1,0,0|3,0,0]=4 176 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [0,0,0,1,0,0|2,0,0]=3 177 B11R2.20 C1=CN=C2OCCNC2=C1 83897 [0,0,0,1,0,0|2,0,0]=3 178 B11R2.20 C1=CN=C2OCCOC2=C1 F14644 [0,0,0,1,0,0|1,0,0]=2 179 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [0,0,0,1,0,0|2,0,0]=3 182 B9R1.12 OCCCC1=CNC=N1 12540 [0,0,0,0,1,0|3,0,0]=4 183 B9R1.12 OCCCC1=CSC=C1 32572 [0,0,0,0,1,0|2,0,0]=3 184 B8R1.2 CCC1=NC=NC=C1 F17281 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 COC1=NC=NC=C1 T72699 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|1,0,0]=3 187 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 OCC1=CN=NC=C1 37054 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|1,1,0]=4 190 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|1,1,0]=4 191 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|1,1,0]=4 192 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 193 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [1,1,0,0,0,0|1,0,0]=3 196 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.1 CCOC1=CN=C(Br)C=N1 52691 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.1 CCOC1=CN=C(Br)N=C1 38793 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,1,0,0,0,0|0,1,0]=3 201 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,1,0,0,0,0|0,0,2]=4 210 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.4 CC1=C(CCN)C=CC=C1 C78305 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.4 CC1=CC=CN=C1CCN C80033 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.4 CCNC1=C(N)C=NC=C1 W19029 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.4 CCNC1=C(O)C=CC=C1 I11473 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.4 CCNC1=CC=CN=C1N P19791 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.4 CCOC1=C(N)C=CN=C1 79299 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.4 CCOC1=CC=CN=C1F AC1769 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.4 CCOC1=CC=CNC1=O N13107 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.4 CCOC1=NC=CC=C1O 79061 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.4 CCOC1=NC=CN=C1N 25986 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.4 CCOC1=NC=NC=C1N C75583 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.4 COCC1=C(O)C=CC=C1 AC1453 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.4 N#CCC1=C(O)C=CC=C1 32266 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.4 NC1=C(CCO)C=CC=N1 70885 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.4 NCCC1=C(Br)C=CC=N1 P10594 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.4 NCCC1=C(O)C=CC=C1 83456 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.4 NNCC1=C(Br)C=CC=C1 37005 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.4 O=CCC1=C(Br)C=CC=C1 W16824 [1,1,0,0,0,0|0,0,2]=4 230 B10R1.4 O=CCC1=C(F)C=CC=C1 W16825 [1,1,0,0,0,0|0,0,2]=4 231 B10R1.4 OCCC1=C(F)C=CC=N1 P15943 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.4 [BH3-]C1=C(CNC)C=CC=C1 AC8598 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.10 C=CCC1=CC=CC(O)=C1 AC1729 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.10 CC#CC1=CC=CC(Br)=C1 Y10633 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.10 CC1=CC=CC(CCCl)=C1 C74996 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.10 CCCC1=CC=CC(Br)=C1 W17019 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.10 CCCC1=CC=CC(N)=C1 S11405 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.10 CCNC1=CC=CC(F)=C1 AB11320 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.10 CCNC1=CC=CC(O)=C1 T71675 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.10 CCOC1=CC(Br)=NC=C1 C73290 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.10 CCOC1=CC(Cl)=NC=C1 AC1568 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.10 CCOC1=CC(Cl)=NN=C1 C77015 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.10 CCOC1=CC=NC(Cl)=N1 A11250 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.10 CCOC1=NC(C)=CN=C1 C75488 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.10 CCOC1=NC(N)=CC=C1 78558 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.10 CCOC1=NC(N)=CC=N1 70347 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.10 CCOC1=NC=CC(Cl)=C1 26911 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.10 CNCC1=CC(C)=CC=C1 C78188 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.10 CSCC1=CC=CC(Br)=C1 W10420 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.10 CSCC1=CC=CC(Cl)=C1 W19463 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.10 NCCC1=CC=CC(N)=C1 51444 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.10 NNCC1=CC=CC(Br)=C1 AC3898 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [1,1,0,0,0,0|0,0,2]=4 256 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [1,1,0,0,0,0|0,0,2]=4 257 B10R1.10 OCCC1=CC(Cl)=NC=C1 70307 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.10 OCCC1=CC=CC(Br)=N1 AC1439 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.10 OCCC1=NC=CC(Br)=C1 73397 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,1,0,0,0,0|0,0,2]=4 296 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [1,1,0,0,0,0|1,1,0]=4 300 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,1,0,0,0,0|0,1,1]=4 302 B12R1.1 CCCCCC1=CC=C(F)C=C1 A11207 [0,2,0,0,0,0|2,0,0]=4 303 B12R1.1 CCCCOC1=CN=C(Br)C=C1 A12893 [0,2,0,0,0,0|2,0,0]=4 304 B12R1.1 COCCOC1=CC=C(O)C=C1 27038 [0,2,0,0,0,0|0,0,0]=2 305 B12R1.1 COCCOC1=NC=C(N)N=C1 27693 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C13856 [0,2,0,0,0,0|2,0,0]=4 307 B12R1.1 FC1=CC=C(OCCCCl)C=C1 D77782 [0,2,0,0,0,0|1,0,0]=3 308 B12R1.1 N#CCCOC1=CC=C(Cl)C=C1 AC8492 [0,2,0,0,0,0|1,0,0]=3 309 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 VT1079 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.1 NCCCCC1=CC=C(O)C=C1 P16850 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.1 OCCCOC1=CC=C(Br)C=C1 88164 [0,2,0,0,0,0|0,0,0]=2 312 B12R1.1 OCCNCC1=CC=C(F)C=C1 C80019 [0,2,0,0,0,0|1,0,0]=3 313 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 66824 [0,2,0,0,0,0|1,0,0]=3 315 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [0,2,0,0,0,0|2,0,0]=4 316 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y11987 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y14024 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 Y10286 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 11356 [0,2,0,0,0,0|1,0,0]=3 320 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55910 [0,2,0,0,0,0|1,0,0]=3 321 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58176 [0,2,0,0,0,0|1,0,0]=3 322 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58178 [0,2,0,0,0,0|1,0,0]=3 323 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61118 [0,2,0,0,0,0|1,0,0]=3 324 B12R1.16 O[C@@H](CCCl)C1=CC=C(F)C=C1 Y10754 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [0,2,0,0,0,0|1,0,0]=3 326 B12R1.21 NC(=S)COC1=CC=C(Br)C=C1 W19015 [0,2,0,0,0,0|0,1,1]=4 327 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [0,2,0,0,0,0|1,0,1]=4 328 B12R1.49 CC1=CC=C(O[C@@H](C)CN)C=C1 AR3806 [0,2,0,0,0,0|1,0,0]=3 329 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 C11963 [0,2,0,0,0,0|1,0,1]=4 330 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3803 [0,2,0,0,0,0|1,0,0]=3 331 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3971 [0,2,0,0,0,0|1,0,0]=3 332 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11490 [0,2,0,0,0,0|1,0,0]=3 333 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78431 [0,2,0,0,0,0|1,0,0]=3 334 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 32524 [0,2,0,0,0,0|1,0,0]=3 335 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N10806 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N11400 [0,2,0,0,0,0|1,0,0]=3 337 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11305 [0,2,0,0,0,0|1,0,0]=3 338 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11306 [0,2,0,0,0,0|1,0,0]=3 339 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 Y11195 [0,2,0,0,0,0|1,0,0]=3 340 B12R1.69 CC1=CC(N)=C(CCCO)C=C1 W12077 [0,2,0,0,0,0|1,0,0]=3 341 B12R1.69 COCOC1=C(Br)C=C(C)C=C1 C71191 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.69 ClCCOC1=C(Cl)C=C(Br)C=C1 W16058 [0,2,0,0,0,0|1,0,0]=3 343 B12R1.69 FC1=CC(F)=C(OCCBr)C=C1 W16558 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.69 OCC#CC1=C(F)C=C(F)C=C1 W15442 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.69 OCCNC1=C(F)C=C(F)C=C1 D95134 [0,2,0,0,0,0|1,0,0]=3 346 B12R1.71 C=CC1=CC=C(CCCN)C=C1 W17096 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.71 COC1=CC=C(CCCBr)C=C1 C78319 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.71 COC1=CC=C(OCCBr)C=C1 F30177 [0,2,0,0,0,0|1,0,0]=3 349 B12R1.71 CSC1=CC=C(OCCN)C=C1 31479 [0,2,0,0,0,0|1,0,0]=3 350 B12R1.71 N#CC1=CC=C(OCCN)C=C1 32298 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.71 O=CC1=CC=C(OCCBr)C=C1 AC1815 [0,2,0,0,0,0|1,0,0]=3 352 B12R1.385 CC1=C(Br)C=C(SCCO)C=C1 79550 [0,2,0,0,0,0|0,1,0]=3 353 B12R1.385 CCCOC1=CC(N)=C(N)C=C1 79315 [0,2,0,0,0,0|1,0,0]=3 354 B12R1.17 CC1=CC=CC([C@@H](N)CCO)=C1 66831 [0,2,0,0,0,0|1,0,0]=3 355 B12R1.17 CCCC(=O)C1=CC=CC(Br)=C1 N13963 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.17 NC1=CC=CC([C@@H](N)CCO)=C1 51811 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 55916 [0,2,0,0,0,0|1,0,0]=3 358 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57811 [0,2,0,0,0,0|1,0,0]=3 359 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 57812 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 11345 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 61121 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.17 N[C@@H](CCO)C1=CC=CC(O)=C1 62495 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 AC8875 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 D76871 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.30 NCCNC(=O)C1=CC=CC=C1 F20112 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [0,2,0,0,0,0|1,0,0]=3 368 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [0,2,0,0,0,0|1,0,0]=3 369 B12R1.30 O=C(CCCO)C1=CN=CC=C1 W11994 [0,2,0,0,0,0|2,0,0]=4 370 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [0,2,0,0,0,0|2,0,0]=4 374 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [0,2,0,0,0,0|2,0,0]=4 376 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,2,0,0,0,0|1,0,1]=4 378 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,2,0,0,0,0|1,0,1]=4 380 B12R1.107 NN(CC(=O)O)C1=CC=CC=C1 27905 [0,2,0,0,0,0|1,0,1]=4 381 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20117 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 20119 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.308 CCC[C@H](N)C1=C(C)C=CC=C1 N13254 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.308 NC1=C([C@@H](N)CCO)C=CC=C1 51813 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.308 N[C@@H](CCO)C1=C(Cl)C=CC=C1 58179 [0,2,0,0,0,0|1,0,0]=3 386 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 AC7173 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.25 C#CCOC1=C(C)C(O)=CC=C1 W16043 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.121 C#CCOC1=C(C=O)C=CC=C1 FD10609 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.121 C=CCOC1=C(CBr)C=CC=C1 AC5886 [0,2,0,0,0,0|1,0,1]=4 390 B12R1.121 COC1=C(CCCO)C=CC=C1 F19813 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.121 O=CC1=C(OCCBr)C=CC=C1 W17985 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.125 O=C(O)CNC1=C(Cl)C=CC=C1 E70332 [0,2,0,0,0,0|1,0,1]=4 393 B12R1.267 FC1=C(OCCCBr)C=CC=C1 F50437 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.267 N#CCCCC1=C(F)C=CC=C1 20843 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.267 OCCCCC1=C(Br)C=CC=C1 21173 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.371 C[C@@H](CN)OC1=C(Cl)C=CC=C1 AR3974 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N10850 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11125 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.374 BrCCOC1=C(Br)C=CC(Br)=C1 33706 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.374 NC1=C(OCCO)C=C(F)C=C1 F20198 [0,2,0,0,0,0|0,0,0]=2 401 B12R1.374 OCC#CC1=C(F)C=CC(F)=C1 W15248 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.1631 BrCCOC1=C(Br)C=CC=C1Br W19061 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.28 CCCCCC1=CC=CC(F)=C1 36943 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.28 CCCCOC1=NC=CC(N)=C1 C76837 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.28 COCCOC1=NC=CC(Br)=C1 C72171 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.28 COCCOC1=NC=CC(N)=C1 W16004 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.28 NCCCOC1=CC=CC(Cl)=C1 F21043 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.28 NCCCOC1=CC=CC(F)=C1 30687 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78158 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11151 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11309 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11126 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11310 [0,2,0,0,0,0|1,0,0]=3 414 B12R1.226 CC(C)CNC1=CC=CC(Br)=C1 W16002 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.226 CC(C)COC1=CC(O)=CC=C1 W16042 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.382 COC1=CC=CC(CCCBr)=C1 C78405 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.382 COC1=CC=CC(OCCN)=C1 30446 [0,2,0,0,0,0|1,0,0]=3 418 B12R1.382 N#CC1=CC=CC(OCCBr)=C1 71903 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.382 N#CC1=CC=CC(OCCN)=C1 31476 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.8 C=CCCOCC1=CC=CC=C1 AC6656 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.8 N#CCCCOC1=CC=CC=C1 20767 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.8 NCCCCOC1=CC=CC=C1 AB7703 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.8 OCCCC#CC1=CC=CC=C1 T72149 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [0,2,0,0,0,0|0,0,0]=2 427 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [0,2,0,0,0,0|0,0,1]=3 430 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [0,2,0,0,0,0|2,0,0]=4 433 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.43 C[C@H](OC1=NC=CC=C1)C(=O)O W18936 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.118 N#C[C@H](CO)CC1=CC=CC=C1 AC5751 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.118 OCC(CO)CC1=CC=CC=C1 20620 [0,2,0,0,0,0|1,0,0]=3 443 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [1,0,0,1,0,0|2,0,0]=4 444 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [1,0,0,1,0,0|2,0,0]=4 445 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [1,0,0,1,0,0|2,0,0]=4 446 B10R2.7 C1=CN=C2CCNC2=C1 70854 [1,0,0,1,0,0|2,0,0]=4 447 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|0,0,2]=4 448 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 I11495 [0,1,0,1,0,0|1,0,0]=3 449 B12R2.24 BrC1=CC2=C(C=C1)NCCN2 AT11557 [0,1,0,1,0,0|2,0,0]=4 450 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 25915 [0,1,0,1,0,0|1,0,0]=3 451 B12R2.24 BrC1=CC2=C(C=C1)OCC=C2 Y12222 [0,1,0,1,0,0|1,0,1]=4 452 B12R2.24 BrC1=CN=C2OCCNC2=C1 F30181 [0,1,0,1,0,0|2,0,0]=4 453 B12R2.24 BrC1=CN=C2OCCOC2=C1 F14749 [0,1,0,1,0,0|1,0,0]=3 454 B12R2.24 CC1=CC2=C(C=C1)CCCC2 I10992 [0,1,0,1,0,0|2,0,0]=4 455 B12R2.24 CC1=CC2=C(C=C1)CCCN2 26368 [0,1,0,1,0,0|2,0,0]=4 456 B12R2.24 CC1=CC2=C(C=C1)CCCN2 H11139 [0,1,0,1,0,0|2,0,0]=4 457 B12R2.24 CC1=CC2=C(C=C1)CCCO2 Y13225 [0,1,0,1,0,0|1,0,0]=3 458 B12R2.24 CC1=CC2=C(C=C1)NCCN2 D78710 [0,1,0,1,0,0|2,0,0]=4 459 B12R2.24 CC1=CC2=C(C=C1)NCCS2 72217 [0,1,0,1,0,0|1,1,0]=4 460 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,1,0,1,0,0|1,0,0]=3 461 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,1,0,1,0,0|1,0,0]=3 462 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 N11405 [0,1,0,1,0,0|2,0,0]=4 463 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 C10821 [0,1,0,1,0,0|2,0,0]=4 464 B12R2.24 ClC1=CC2=C(C=C1)CCCO2 Y13230 [0,1,0,1,0,0|1,0,0]=3 465 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 27238 [0,1,0,1,0,0|1,0,0]=3 466 B12R2.24 ClC1=CC2=C(C=C1)OCCC2 N11282 [0,1,0,1,0,0|1,0,0]=3 467 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 VT1094 [0,1,0,1,0,0|1,0,0]=3 468 B12R2.24 ClC1=NC2=C(C=C1)OCCN2 84509 [0,1,0,1,0,0|2,0,0]=4 469 B12R2.24 ClC1=NN=C2OCCOC2=C1 O10985 [0,1,0,1,0,0|2,0,0]=4 470 B12R2.24 FC1=CC2=C(C=C1)CCCC2 N10855 [0,1,0,1,0,0|2,0,0]=4 471 B12R2.24 FC1=CC2=C(C=C1)CCCN2 N12847 [0,1,0,1,0,0|2,0,0]=4 472 B12R2.24 FC1=CC2=C(C=C1)CCCO2 Y13024 [0,1,0,1,0,0|1,0,0]=3 473 B12R2.24 FC1=CC2=C(C=C1)OCCC2 Y11947 [0,1,0,1,0,0|1,0,0]=3 474 B12R2.24 FC1=CC2=C(C=C1)OCCN2 C71739 [0,1,0,1,0,0|1,0,0]=3 475 B12R2.24 IC1=CC2=C(C=C1)OCCC2 32826 [0,1,0,1,0,0|1,0,0]=3 476 B12R2.24 NC1=CC2=C(C=C1)CCCN2 F21389 [0,1,0,1,0,0|2,0,0]=4 477 B12R2.24 NC1=CC2=C(C=C1)CCCO2 Y13028 [0,1,0,1,0,0|1,0,0]=3 478 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y12467 [0,1,0,1,0,0|1,0,0]=3 479 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Y13365 [0,1,0,1,0,0|1,0,0]=3 480 B12R2.24 NC1=CC2=C(C=C1)OCCN2 P16924 [0,1,0,1,0,0|1,0,0]=3 481 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,1,0,1,0,0|1,0,0]=3 482 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,1,0,1,0,0|1,0,0]=3 483 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,1,0,1,0,0|1,0,0]=3 484 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.24 OC1=CC2=C(C=C1)CCCO2 Y11632 [0,1,0,1,0,0|1,0,0]=3 487 B12R2.24 OC1=CC2=C(C=C1)NCCO2 P16674 [0,1,0,1,0,0|1,0,0]=3 488 B12R2.24 OC1=CC2=C(C=C1)OCCC2 N12986 [0,1,0,1,0,0|1,0,0]=3 489 B12R2.24 OC1=CC2=C(C=C1)OCCN2 C74348 [0,1,0,1,0,0|1,0,0]=3 490 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,1,0,1,0,0|1,0,0]=3 491 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,1,0,1,0,0|1,0,0]=3 492 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,1,0,1,0,0|1,0,0]=3 493 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 F31086 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.79 NC1CC1C2=CC=C(F)C=C2 F31089 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31004 [0,1,0,1,0,0|2,0,0]=4 496 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31006 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10991 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N Y12626 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [0,1,0,1,0,0|0,0,2]=4 500 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 71649 [0,1,0,1,0,0|2,0,0]=4 501 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 N10744 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10462 [0,1,0,1,0,0|2,0,0]=4 503 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10463 [0,1,0,1,0,0|2,0,0]=4 504 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y11201 [0,1,0,1,0,0|2,0,0]=4 505 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y12017 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 N13065 [0,1,0,1,0,0|2,0,0]=4 507 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 Y11815 [0,1,0,1,0,0|2,0,0]=4 508 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16923 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I11030 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10106 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10313 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 P15824 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 Y10912 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y14813 [0,1,0,1,0,0|1,0,0]=3 515 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N10934 [0,1,0,1,0,0|1,0,0]=3 516 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [0,1,0,1,0,0|0,0,2]=4 517 B12R2.132 O=C1COC2=C1C=C(O)C=C2 P16901 [0,1,0,1,0,0|0,0,2]=4 518 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 N10435 [0,1,0,1,0,0|1,0,0]=3 519 B12R2.132 O[C@H]1CCC2=C1C=C(Cl)C=C2 53581 [0,1,0,1,0,0|1,0,0]=3 520 B12R2.132 O[C@H]1CCC2=C1C=C(F)C=C2 N13071 [0,1,0,1,0,0|1,0,0]=3 521 B12R2.132 O[C@H]1CCC2=C1N=C(Br)C=C2 D79272 [0,1,0,1,0,0|2,0,0]=4 522 B12R2.132 O[C@H]1CCC2=C1N=C(Cl)C=C2 N11829 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.294 BrC1=NC=C(OC2CC2)C=C1 80013 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 F52110 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 C75026 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.2 C1=CC(C2OCCO2)=CN=C1 20730 [0,1,0,1,0,0|1,0,0]=3 527 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [0,1,0,1,0,0|2,0,0]=4 529 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.2 C1=CN=C(C2=NCCO2)C=C1 D75595 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P16497 [0,1,0,1,0,0|2,0,0]=4 535 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.22 OC1CN(C2=CC=CC=C2)C1 P13302 [0,1,0,1,0,0|1,0,0]=3 537 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [0,1,0,1,0,0|1,0,0]=3 538 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [0,1,0,1,0,0|1,0,0]=3 539 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [0,1,0,1,0,0|1,0,0]=3 540 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [0,1,0,1,0,0|1,0,0]=3 541 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [0,1,0,1,0,0|1,0,0]=3 542 B12R2.1081 BrC1=C2CCCOC2=CC=C1 I11493 [0,1,0,1,0,0|1,0,0]=3 543 B12R2.1081 BrC1=C2NCCCC2=CC=C1 D82984 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.1081 BrC1=C2OCCCC2=CC=C1 I11496 [0,1,0,1,0,0|1,0,0]=3 545 B12R2.1081 BrC1=C2OCCNC2=CC=C1 69215 [0,1,0,1,0,0|1,0,0]=3 546 B12R2.1081 CC1=CC=CC2=C1CCCC2 N10858 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.1081 CC1=CC=CC2=C1CCCO2 Y13226 [0,1,0,1,0,0|1,0,0]=3 548 B12R2.1081 CC1=CC=CC2=C1OCCC2 Y13223 [0,1,0,1,0,0|1,0,0]=3 549 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [0,1,0,1,0,0|1,0,0]=3 550 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [0,1,0,1,0,0|2,0,0]=4 554 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.1081 ClC1=C2CCCCC2=CC=C1 Y13222 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.1081 ClC1=C2NCCCC2=CC=C1 F16849 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.1081 ClC1=C2NCCOC2=NC=C1 84595 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.1081 ClC1=C2OCCCC2=CC=C1 N10904 [0,1,0,1,0,0|1,0,0]=3 559 B12R2.1081 ClC1=C2OCCNC2=CC=C1 W10055 [0,1,0,1,0,0|1,0,0]=3 560 B12R2.1081 ClC1=NC=CC2=C1NCCO2 80151 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.1081 ClC1=NC=CC2=C1OCCN2 80149 [0,1,0,1,0,0|2,0,0]=4 562 B12R2.1081 FC1=C2CCCNC2=CC=C1 SC2341 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.1081 FC1=C2CCCNC2=CC=C1 Y12021 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.1081 FC1=C2NCCCC2=CC=C1 N12833 [0,1,0,1,0,0|2,0,0]=4 565 B12R2.1081 FC1=C2OCCCC2=CC=C1 N11406 [0,1,0,1,0,0|1,0,0]=3 566 B12R2.1081 FC1=C2OCCNC2=CC=C1 70451 [0,1,0,1,0,0|1,0,0]=3 567 B12R2.1081 NC1=C2OCCCC2=CC=C1 N13184 [0,1,0,1,0,0|1,0,0]=3 568 B12R2.1081 NC1=CC=CC2=C1CCCN2 21021 [0,1,0,1,0,0|2,0,0]=4 569 B12R2.1081 NC1=CC=CC2=C1CCCO2 S11588 [0,1,0,1,0,0|1,0,0]=3 570 B12R2.1081 NC1=CC=CC2=C1CCCO2 S12176 [0,1,0,1,0,0|1,0,0]=3 571 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 C76564 [0,1,0,1,0,0|2,0,0]=4 572 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 F53442 [0,1,0,1,0,0|2,0,0]=4 573 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [0,1,0,1,0,0|1,0,0]=3 574 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [0,1,0,1,0,0|1,0,0]=3 575 B12R2.1081 N[C@H]1CCOC2=C1N=CC=C2 50286 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 52240 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,1,0,1,0,0|1,0,0]=3 578 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,1,0,1,0,0|1,0,0]=3 579 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [0,1,0,1,0,0|1,0,1]=4 580 B12R2.1081 OC1=C2CCCNC2=CC=C1 F30097 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,1,0,1,0,0|1,0,0]=3 582 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,1,0,1,0,0|1,0,0]=3 583 B12R2.1081 O[C@H]1CCCC2=C1C=CN=C2 53689 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [0,1,0,1,0,0|1,0,0]=3 585 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [0,1,0,1,0,0|0,0,0]=2 586 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,1,0,1,0,0|0,0,0]=2 587 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10002 [0,1,0,1,0,0|2,0,0]=4 588 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10011 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 Y10344 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.32 BrCC1=NC2=C(C=CC=C2)O1 26882 [0,1,0,1,0,0|1,0,1]=4 591 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 83149 [0,1,0,1,0,0|2,0,0]=4 592 B12R2.32 CCC1=NC2=C(C=CC=C2)O1 Y10990 [0,1,0,1,0,0|1,0,1]=4 593 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 AC2210 [0,1,0,1,0,0|1,0,1]=4 594 B12R2.32 NCC1=NC2=C(C=CC=C2)O1 AC2205 [0,1,0,1,0,0|1,0,1]=4 595 B12R2.32 NCC1OC2=C(C=CC=C2)O1 AC2204 [0,1,0,1,0,0|1,0,0]=3 596 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 30218 [0,1,0,1,0,0|1,0,0]=3 597 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 P12564 [0,1,0,1,0,0|1,0,0]=3 598 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 25158 [0,1,0,1,0,0|0,0,0]=2 599 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y11246 [0,1,0,1,0,0|2,0,0]=4 600 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y13340 [0,1,0,1,0,0|2,0,0]=4 601 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2O Y10331 [0,1,0,1,0,0|1,0,0]=3 602 B12R2.196 C[C@H]1CNC2=C(N)C=CC=C21 P20144 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 F16950 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10898 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10901 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I11061 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10107 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10458 [0,1,0,1,0,0|2,0,0]=4 609 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N12980 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11443 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 20085 [0,1,0,1,0,0|2,0,0]=4 612 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 I10598 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 Y10916 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 D80589 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N11146 [0,1,0,1,0,0|2,0,0]=4 616 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N12632 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11159 [0,1,0,1,0,0|1,0,0]=3 618 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11250 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N11240 [0,1,0,1,0,0|1,0,0]=3 620 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N16512 [0,1,0,1,0,0|1,0,0]=3 621 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N11235 [0,1,0,1,0,0|1,0,0]=3 622 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N16511 [0,1,0,1,0,0|1,0,0]=3 623 B12R2.196 O=C1COC2=C(Cl)C=CC=C12 AT10339 [0,1,0,1,0,0|0,0,2]=4 624 B12R2.196 O[C@H]1CCC2=C(Br)C=NC=C21 84236 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.196 O[C@H]1CCC2=C(Cl)C=CC=C21 N12836 [0,1,0,1,0,0|1,0,0]=3 626 B12R2.196 O[C@H]1CCC2=C(Cl)C=CN=C21 26883 [0,1,0,1,0,0|2,0,0]=4 627 B12R2.196 O[C@H]1CCC2=C(F)C=CC=C21 N13047 [0,1,0,1,0,0|1,0,0]=3 628 B12R2.196 O[C@H]1COC2=C(Br)C=CC=C21 Y10971 [0,1,0,1,0,0|0,0,0]=2 629 B12R2.225 BrC1=C(OC2CC2)C=CC=C1 AT13881 [0,1,0,1,0,0|1,0,0]=3 630 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 Y10415 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.80 NC1CC1C2=CC=CC(F)=C2 F31083 [0,1,0,1,0,0|2,0,0]=4 632 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N F16924 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N N11228 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2O 72767 [0,1,0,1,0,0|1,0,0]=3 635 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 N11312 [0,1,0,1,0,0|2,0,0]=4 636 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 Y11358 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y10796 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11442 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11534 [0,1,0,1,0,0|2,0,0]=4 640 B12R2.203 N[C@H]1CCC2=CC=CC(O)=C21 F31358 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.203 O=C1COC2=CC=CC(Br)=C12 F13692 [0,1,0,1,0,0|0,0,2]=4 642 B12R2.203 O=C1COC2=CC=CC(F)=C12 C16679 [0,1,0,1,0,0|0,0,2]=4 643 B12R2.203 OC1=NOC2=CC=CC(F)=C21 66461 [0,1,0,1,0,0|1,0,1]=4 644 B12R2.612 CC1=CC2=C(C=C1)C(O)=NO2 O11611 [0,1,0,1,0,0|1,0,1]=4 645 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,1,0,1,0,0|2,0,0]=4 647 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,1,0,1,0,0|1,0,0]=3 648 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67300 [0,1,0,1,0,0|2,0,0]=4 649 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67303 [0,1,0,1,0,0|2,0,0]=4 650 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 N11203 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 O10181 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 Y10109 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 N12837 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10880 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10881 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10918 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10919 [0,1,0,1,0,0|2,0,0]=4 658 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11253 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11814 [0,1,0,1,0,0|2,0,0]=4 660 B12R2.612 N[C@H]1CCC2=C1C=CC(O)=C2 Y11929 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 67309 [0,1,0,1,0,0|1,0,0]=3 662 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 Y10223 [0,1,0,1,0,0|1,0,0]=3 663 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11153 [0,1,0,1,0,0|1,0,0]=3 664 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11262 [0,1,0,1,0,0|1,0,0]=3 665 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14816 [0,1,0,1,0,0|1,0,0]=3 666 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 67306 [0,1,0,1,0,0|0,0,2]=4 667 B12R2.612 OC1=NOC2=C1C=CC(Br)=C2 93322 [0,1,0,1,0,0|1,0,1]=4 668 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67299 [0,1,0,1,0,0|1,0,0]=3 669 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67301 [0,1,0,1,0,0|1,0,0]=3 670 B12R2.612 O[C@H]1CCC2=CC(Br)=CN=C21 81985 [0,1,0,1,0,0|2,0,0]=4 671 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 67308 [0,1,0,1,0,0|0,0,0]=2 672 B12R2.1286 BrC1=CC(OC2CC2)=CC=C1 AT13863 [0,1,0,1,0,0|1,0,0]=3 673 B12R2.1286 BrC1=CC(OC2CC2)=NC=C1 D71925 [0,1,0,1,0,0|2,0,0]=4 674 B12R2.1286 BrC1=NC=CC(OC2CC2)=C1 D83921 [0,1,0,1,0,0|2,0,0]=4 675 B12R2.1286 NC1=NC=CC(OC2CC2)=C1 D93756 [0,1,0,1,0,0|2,0,0]=4 676 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19006 [0,1,0,1,0,0|2,0,0]=4 677 B12R2.2313 BrC1=CC([C@@H]2CCN2)=CC=C1 P19042 [0,1,0,1,0,0|2,0,0]=4 678 B12R2.1 BrCC1=NOC2=C1C=CC=C2 53608 [0,1,0,1,0,0|1,0,1]=4 679 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 31906 [0,1,0,1,0,0|2,0,0]=4 681 B12R2.1 OCC1=NOC2=C1C=CC=C2 62838 [0,1,0,1,0,0|0,0,1]=3 682 B12R2.1 OC[C@H]1CNC2=C1C=CC=C2 AB9481 [0,1,0,1,0,0|1,0,0]=3 683 B12R2.1 OC[C@H]1COC2=C1C=CN=C2 F12475 [0,1,0,1,0,0|1,0,0]=3 684 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [0,1,0,1,0,0|1,0,1]=4 686 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,1,0,1,0,0|1,0,1]=4 687 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [0,1,0,1,0,0|2,0,0]=4 688 B12R2.2058 C1=CC(OC2CNC2)=CN=C1 AB8082 [0,1,0,1,0,0|2,0,0]=4 689 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [0,1,0,1,0,0|2,0,0]=4 690 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [0,1,0,1,0,0|2,0,0]=4 691 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 88509 [0,1,0,1,0,0|1,0,0]=3 692 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [0,1,0,1,0,0|2,0,0]=4 693 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O C10104 [0,1,0,1,0,0|2,0,0]=4 694 B12R2.94 OC1(CC2=CC=CC=C2)CC1 W18583 [0,1,0,1,0,0|2,0,0]=4 695 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.8 BrCCC1=CSC=C1 F20032 [1,0,0,0,1,0|2,0,0]=4 697 B8R1.8 CCOC1=NNC=C1 AT14799 [1,0,0,0,1,0|2,0,0]=4 698 B8R1.8 NCCC1=CC=CN1 31556 [1,0,0,0,1,0|2,0,0]=4 699 B8R1.8 NCCC1=CC=CN1 F10331 [1,0,0,0,1,0|2,0,0]=4 700 B8R1.8 NCCC1=CSC=C1 P10092 [1,0,0,0,1,0|2,0,0]=4 701 B8R1.8 OCCC1=CC=CN1 AB10351 [1,0,0,0,1,0|1,0,0]=3 702 B8R1.8 OCCC1=CC=CO1 W10532 [1,0,0,0,1,0|1,0,0]=3 703 B8R1.8 OCCC1=COC=C1 D93026 [1,0,0,0,1,0|1,0,0]=3 704 B8R1.8 OCCC1=NNC=C1 22974 [1,0,0,0,1,0|2,0,0]=4