0 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 78098 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.612 CC1=CC2=C(C=C1)C(O)=NO2 O11611 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.612 CC1=CNC2=C1C=CC(F)=C2 D97643 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.612 CC1=NNC2=C1C=CC(F)=C2 I11286 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NN2 P16034 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NO2 27521 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.612 FC1=CC2=C(C=C1)C(I)=CN2 98354 [0,0,0,0,0,0|4,0,0]=4 10 B12R2.612 FC1=CC2=C(C=C1)C(I)=NN2 87979 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67300 [0,0,0,0,0,0|3,1,0]=4 12 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67303 [0,0,0,0,0,0|3,1,0]=4 13 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 N11203 [0,0,0,0,0,0|3,1,0]=4 14 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 O10181 [0,0,0,0,0,0|3,1,0]=4 15 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 Y10109 [0,0,0,0,0,0|3,1,0]=4 16 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 N12837 [0,0,0,0,0,0|3,1,0]=4 17 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10880 [0,0,0,0,0,0|3,1,0]=4 18 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10881 [0,0,0,0,0,0|3,1,0]=4 19 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10918 [0,0,0,0,0,0|3,1,0]=4 20 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10919 [0,0,0,0,0,0|3,1,0]=4 21 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11253 [0,0,0,0,0,0|3,0,0]=3 22 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11814 [0,0,0,0,0,0|3,0,0]=3 23 B12R2.612 N[C@H]1CCC2=C1C=CC(O)=C2 Y11929 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11153 [0,0,0,0,0,0|4,0,0]=4 25 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11262 [0,0,0,0,0,0|4,0,0]=4 26 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14816 [0,0,0,0,0,0|4,0,0]=4 27 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,0,0,0,0,0|2,1,1]=4 28 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 83087 [0,0,0,0,0,0|2,1,1]=4 29 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 26667 [0,0,0,0,0,0|3,0,1]=4 30 B12R2.612 O=C1NSC2=C1C=CC(F)=C2 S10563 [0,0,0,0,0,0|3,0,1]=4 31 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 P13253 [0,0,0,0,0,0|2,1,1]=4 32 B12R2.612 OB1OCC2=C1C=CC(O)=C2 P15896 [0,0,0,0,0,0|1,0,0]=1 33 B12R2.612 OC1=NOC2=C1C=CC(Br)=C2 93322 [0,0,0,0,0,0|3,1,0]=4 34 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67299 [0,0,0,0,0,0|2,1,0]=3 35 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67301 [0,0,0,0,0,0|2,1,0]=3 36 B12R2.612 O[C@H]1CCC2=CC(Br)=CN=C21 81985 [0,0,0,0,0,0|3,1,0]=4 37 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 67308 [0,0,0,0,0,0|3,1,0]=4 38 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [1,0,0,0,0,0|3,0,0]=4 45 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [1,0,0,0,0,0|2,0,0]=3 46 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [1,0,0,0,0,0|3,0,0]=4 49 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [1,0,0,0,0,0|3,0,0]=4 50 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [1,0,0,0,0,0|3,0,0]=4 51 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Y10449 [1,0,0,0,0,0|2,1,0]=4 52 B11R2.36 BrC1=CC2=C(C=C1)COC2 71931 [1,0,0,0,0,0|1,1,0]=3 53 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [1,0,0,0,0,0|3,0,0]=4 54 B11R2.36 ClC1=CC2=C(C=C1)CCC2 N12723 [1,0,0,0,0,0|2,1,0]=4 55 B11R2.36 ClC1=CC2=C(C=C1)CNC2 AB6849 [1,0,0,0,0,0|2,1,0]=4 56 B11R2.36 ClC1=CC2=C(C=C1)OCC2 W17536 [1,0,0,0,0,0|2,1,0]=4 57 B11R2.36 ClC1=CC2=C(C=CC2)C=C1 F13902 [1,0,0,0,0,0|2,1,0]=4 58 B11R2.36 FC1=CC2=C(C=C1)CCN2 F21334 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.36 FC1=CC2=C(C=C1)CCO2 Y13232 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.36 FC1=CC2=C(C=C1)N=CS2 F14497 [1,0,0,0,0,0|3,0,0]=4 61 B11R2.36 FC1=CC2=C(C=C1)NN=N2 O11430 [1,0,0,0,0,0|3,0,0]=4 62 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F30233 [1,0,0,0,0,0|2,0,1]=4 63 B11R2.36 FC1=CC2=C(C=C1)OCO2 AC4347 [1,0,0,0,0,0|3,0,0]=4 64 B11R2.36 FC1=CC2=C(C=C1)SC=N2 C13797 [1,0,0,0,0,0|3,0,0]=4 65 B11R2.36 FC1=CC2=C(C=CS2)C=C1 P15213 [1,0,0,0,0,0|3,0,0]=4 66 B11R2.36 FC1=CN=C2CNCC2=C1 P12657 [1,0,0,0,0,0|3,0,0]=4 67 B11R2.36 FC1=CN=C2NCCC2=C1 P20984 [1,0,0,0,0,0|3,0,0]=4 68 B11R2.36 NC1=CC2=C(C=C1)CNC2 AB9521 [1,0,0,0,0,0|3,0,0]=4 69 B11R2.36 OC1=CC2=C(C=C1)CNC2 20927 [1,0,0,0,0,0|3,0,0]=4 70 B11R2.36 OC1=CC2=C(C=C1)CNC2 52281 [1,0,0,0,0,0|3,0,0]=4 71 B11R2.36 OC1=CC2=C(C=C1)CNC2 52301 [1,0,0,0,0,0|3,0,0]=4 72 B11R2.36 OC1=CC2=C(C=C1)OCC2 24188 [1,0,0,0,0,0|3,0,0]=4 73 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 Y10227 [0,1,0,0,0,0|2,0,1]=4 74 B13R2.5180 CC1=C(Br)C=CC2=C1CC[C@@H]2O 54942 [0,1,0,0,0,0|2,1,0]=4 75 B13R2.5180 CC1=C(Br)C=CC2=C1COC2=O 84984 [0,1,0,0,0,0|1,1,1]=4 76 B13R2.5180 CC1=C(O)C=CC2=C1COC2=O S10489 [0,1,0,0,0,0|2,0,1]=4 77 B13R2.5180 N[C@H]1CCC2=C1C=CC(F)=C2F N10995 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2Br N11320 [0,1,0,0,0,0|2,0,1]=4 79 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2Cl F52754 [0,1,0,0,0,0|2,0,1]=4 80 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2F 24089 [0,1,0,0,0,0|2,0,1]=4 81 B13R2.5180 O[C@H]1CCC2=C1C=CC(F)=C2Br 94558 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.5187 C[C@H]1CC(=O)C2=C1C=C(F)C=C2 AB22587 [0,1,0,0,0,0|2,0,1]=4 83 B13R2.11634 N[C@H]1CCC2=CC(F)=C(F)C=C21 N10994 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.11634 N[C@H]1CCC2=CC(F)=C(F)C=C21 Y11250 [0,1,0,0,0,0|3,0,0]=4 85 B13R2.11634 O=C1CCC2=CC(F)=C(Br)C=C12 22964 [0,1,0,0,0,0|2,0,1]=4 86 B13R2.11634 O=C1CCC2=CC(F)=C(Cl)C=C12 I10760 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.11634 O=C1NCC2=CC(F)=C(F)C=C12 C13806 [0,1,0,0,0,0|2,0,1]=4 88 B13R2.11642 N[C@H]1CCC2=CC(F)=CC(Cl)=C21 N11391 [0,1,0,0,0,0|3,0,0]=4 89 B13R2.11642 N[C@H]1CCC2=CC(F)=CC(F)=C21 N10997 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.11642 N[C@H]1CCC2=CC(F)=CC(F)=C21 N10999 [0,1,0,0,0,0|3,0,0]=4 91 B13R2.11642 N[C@H]1CCC2=CC(F)=CC(F)=C21 S10076 [0,1,0,0,0,0|3,0,0]=4 92 B13R2.11642 O=C1CCC2=CC(F)=CC(Cl)=C12 F52760 [0,1,0,0,0,0|2,0,1]=4 93 B13R2.11642 O=C1CCC2=CC(F)=CC(O)=C12 W16445 [0,1,0,0,0,0|2,0,1]=4 94 B13R2.11642 OC1=NNC2=CC(F)=CC(Br)=C21 I11190 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.22 C#C[C@@H](O)C1=CC=C(F)C=C1 W16136 [0,0,1,0,0,0|2,0,1]=4 96 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [0,0,1,0,0,0|3,0,0]=4 97 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [0,0,1,0,0,0|3,0,0]=4 98 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [0,0,1,0,0,0|3,0,0]=4 99 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [0,0,1,0,0,0|3,0,0]=4 100 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [0,0,1,0,0,0|3,0,0]=4 101 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [0,0,1,0,0,0|2,1,0]=4 102 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [0,0,1,0,0,0|3,0,0]=4 103 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,0,1,0,0,0|2,0,1]=4 104 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [0,0,1,0,0,0|3,0,0]=4 105 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [0,0,1,0,0,0|2,1,0]=4 106 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [0,0,1,0,0,0|2,0,0]=3 107 B11R1.37 CCC1=C(CO)C=C(Br)C=C1 C13891 [0,0,1,0,0,0|2,1,0]=4 108 B11R1.37 COC1=C(CN)C=C(F)C=C1 N12548 [0,0,1,0,0,0|3,0,0]=4 109 B11R1.37 COC1=C(CO)C=C(C)C=C1 A12781 [0,0,1,0,0,0|3,0,0]=4 110 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 20565 [0,0,1,0,0,0|2,1,0]=4 111 B11R1.37 FC1=CC(CBr)=C(CBr)C=C1 53002 [0,0,1,0,0,0|3,0,0]=4 112 B11R1.37 N#CC1=C(CCl)C=C(F)C=C1 CL9509 [0,0,1,0,0,0|3,0,0]=4 113 B11R1.37 OCC1=C(CO)C=C(Cl)C=C1 72445 [0,0,1,0,0,0|1,1,0]=3 114 B11R1.37 OCC1=C(CO)N=C(Cl)C=C1 N12730 [0,0,1,0,0,0|2,1,0]=4 115 B11R1.37 OCC1=CC(Br)=CN=C1CO F30570 [0,0,1,0,0,0|2,1,0]=4 116 B11R1.166 CC1=C(B(O)O)C=CC(Br)=C1 A12288 [0,0,1,0,0,0|0,1,0]=2 117 B11R1.166 CC1=C(B(O)O)C=CC(Cl)=N1 N12260 [0,0,1,0,0,0|1,1,0]=3 118 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,0,1,0,0,0|1,1,1]=4 119 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11919 [0,0,1,0,0,0|3,0,0]=4 120 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11920 [0,0,1,0,0,0|3,0,0]=4 121 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y12621 [0,0,1,0,0,0|3,0,0]=4 122 B11R1.166 CC1=NC(C)=C(B(O)O)C=C1 FD10078 [0,0,1,0,0,0|2,0,0]=3 123 B11R1.166 OB(O)C1=C(F)C=C(Br)C=C1 I12620 [0,0,1,0,0,0|1,1,0]=3 124 B11R1.166 OB(O)C1=C(F)C=C(O)C=C1 I12051 [0,0,1,0,0,0|2,0,0]=3 125 B11R1.166 OB(O)C1=C(F)N=C(Cl)C=C1 22730 [0,0,1,0,0,0|2,1,0]=4 126 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)OC2 AC6638 [0,0,0,0,0,1|2,0,1]=4 127 B13R2.3683 CN1CCC2=C(C=CC(F)=C2)C1 D80158 [0,0,0,0,0,1|3,0,0]=4 128 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11723 [0,0,0,0,0,1|3,0,0]=4 129 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11805 [0,0,0,0,0,1|3,0,0]=4 130 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 25475 [0,0,0,0,0,1|2,0,1]=4 131 B13R2.3683 OC1=CC=C2C=C(F)C=CC2=C1 N14582 [0,0,0,0,0,1|2,0,1]=4 132 B13R2.3683 OC1=CN=C2C=C(F)C=CC2=C1 K10005 [0,0,0,0,0,1|3,0,0]=4 133 B13R2.3683 O[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11724 [0,0,0,0,0,1|2,0,0]=3 134 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10625 [0,0,0,0,0,1|3,0,0]=4 135 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I10731 [0,0,0,0,0,1|3,0,0]=4 136 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 I11877 [0,0,0,0,0,1|3,0,0]=4 137 B13R2.5179 N[C@H]1CCCC2=C1C=CC(F)=C2 N13115 [0,0,0,0,0,1|3,0,0]=4 138 B13R2.5179 N[C@H]1CCOC2=C1C=CC(F)=C2 33654 [0,0,0,0,0,1|3,0,0]=4 139 B13R2.5179 N[C@H]1CCOC2=C1C=CC(F)=C2 F16911 [0,0,0,0,0,1|3,0,0]=4 140 B13R2.5179 N[C@H]1CCOC2=C1C=CC(F)=C2 I11336 [0,0,0,0,0,1|3,0,0]=4 141 B13R2.5179 N[C@H]1CCOC2=C1C=CC(F)=C2 Y10530 [0,0,0,0,0,1|3,0,0]=4 142 B13R2.5179 O=C1OCCC2=C1C=CC(Br)=C2 82309 [0,0,0,0,0,1|1,1,1]=4 143 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 53843 [0,0,0,0,0,1|2,0,1]=4 144 B13R2.5179 O[C@H]1CCCC2=C1C=CC(F)=C2 N12651 [0,0,0,0,0,1|2,0,0]=3 145 B13R2.5179 O[C@H]1CCOC2=C1C=CC(Cl)=C2 C11034 [0,0,0,0,0,1|2,1,0]=4 146 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,0,1,0,0,0|2,0,0]=4 147 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,0,1,0,0,0|2,0,0]=4 148 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,0,1,0,0,0|1,1,0]=4 149 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [1,0,1,0,0,0|2,0,0]=4 150 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [1,0,1,0,0,0|2,0,0]=4 151 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [1,0,1,0,0,0|1,1,0]=4 152 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [1,0,1,0,0,0|1,1,0]=4 153 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [1,0,1,0,0,0|2,0,0]=4 154 B10R1.13 OB(O)C1=NC=C(Br)C=C1 57235 [1,0,1,0,0,0|1,1,0]=4 155 B10R1.13 OB(O)C1=NC=C(F)C=C1 F16224 [1,0,1,0,0,0|1,0,0]=3 156 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,0,1,0,0,0|2,0,0]=4 157 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,0,1,0,0,0|2,0,0]=4 158 B10R1.10 CSCC1=CC(F)=CC=C1 A12575 [1,0,1,0,0,0|1,1,0]=4 159 B10R1.10 NNCC1=CC=CC(F)=C1 75837 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [1,0,1,0,0,0|1,0,1]=4 161 B10R1.20 C=CC1=C(CO)C=CC=C1 C74805 [1,0,1,0,0,0|2,0,0]=4 162 B10R1.20 OCC1=C(CBr)C=CC=C1 O10024 [1,0,1,0,0,0|2,0,0]=4 163 B10R1.20 OCC1=C(CF)C=CC=C1 W10520 [1,0,1,0,0,0|2,0,0]=4 164 B10R1.20 OCC1=C(CO)C=NC=C1 30227 [1,0,1,0,0,0|2,0,0]=4 165 B10R1.20 OCC1=C(CO)C=NC=C1 39456 [1,0,1,0,0,0|2,0,0]=4 166 B10R1.20 OCC1=CC=CN=C1CO 75308 [1,0,1,0,0,0|2,0,0]=4 167 B10R1.20 OCC1=CC=CN=C1CO S11918 [1,0,1,0,0,0|2,0,0]=4 168 B10R1.25 CC1=C(CO)C=CC(F)=N1 C76920 [1,0,1,0,0,0|2,0,0]=4 169 B10R1.25 CC1=C(CO)C=CC(N)=C1 F19834 [1,0,1,0,0,0|2,0,0]=4 170 B10R1.25 OCC1=C(O)C=C(Br)C=C1 35526 [1,0,1,0,0,0|1,1,0]=4 171 B10R1.30 CC1=C(CO)C=C(Cl)C=C1 70915 [1,0,1,0,0,0|1,1,0]=4 172 B10R1.30 CC1=C(CO)C=C(I)C=C1 F20542 [1,0,1,0,0,0|1,1,0]=4 173 B10R1.30 CC1=CC(CO)=C(Br)C=C1 78891 [1,0,1,0,0,0|2,0,0]=4 174 B10R1.30 CC1=CC(CO)=C(O)C=C1 A11080 [1,0,1,0,0,0|1,0,0]=3 175 B10R1.30 CCC1=C(N)C=CC(F)=C1 D83440 [1,0,1,0,0,0|2,0,0]=4 176 B10R1.30 NC1=CC(CO)=C(Cl)C=C1 35510 [1,0,1,0,0,0|2,0,0]=4 177 B10R1.30 NCC1=C(O)C=CC(Br)=C1 O10496 [1,0,1,0,0,0|1,1,0]=4 178 B10R1.30 OCC1=C(Cl)C=CC(O)=C1 C76883 [1,0,1,0,0,0|2,0,0]=4 179 B10R1.30 OCC1=CC(Br)=CN=C1O C71870 [1,0,1,0,0,0|1,1,0]=4 180 B10R1.61 CC1=CC=CN=C1B(O)O C16742 [1,0,1,0,0,0|1,0,0]=3 181 B10R1.61 NC1=C(B(O)O)C=CC=N1 RB2059 [1,0,1,0,0,0|2,0,0]=4 182 B10R1.61 O=C1NC=CC=C1B(O)O CS1662 [1,0,1,0,0,0|2,0,0]=4 183 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 FD10058 [1,0,1,0,0,0|2,0,0]=4 184 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [2,0,0,0,0,0|1,0,1]=4 185 B12R1.16 O[C@@H](CCCl)C1=CC=C(F)C=C1 Y10754 [0,1,1,0,0,0|2,0,0]=4 186 B12R1.1703 COC(=O)C1=C(I)C=C(F)C=C1 W19258 [0,1,1,0,0,0|1,0,1]=4 187 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 11345 [0,1,1,0,0,0|2,0,0]=4 188 B12R1.17 N[C@@H](CCO)C1=CC=CC(F)=C1 61121 [0,1,1,0,0,0|2,0,0]=4 189 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11126 [0,1,1,0,0,0|2,0,0]=4 190 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11310 [0,1,1,0,0,0|2,0,0]=4 191 B12R1.46 OCC1=C(B(O)O)C=C(F)C=C1 N11788 [0,1,1,0,0,0|2,0,0]=4 192 B12R1.57 N#CC1=C(B(O)O)C=CC(F)=C1 C16569 [0,1,1,0,0,0|1,0,1]=4 193 B12R1.57 O=C(O)C1=C(CO)C=C(Br)C=C1 C76109 [0,1,1,0,0,0|1,1,0]=4 194 B12R1.57 O=CC1=C(B(O)O)C=CC(F)=C1 A51027 [0,1,1,0,0,0|0,0,2]=4 195 B12R1.78 COC1=CC(CO)=C(CO)C=C1 30228 [0,1,1,0,0,0|2,0,0]=4 196 B12R1.448 OCC1=CC(Cl)=C(Cl)C=C1CO D84223 [0,1,1,0,0,0|1,1,0]=4 197 B12R1.232 CC1=CC(F)=C(Br)C=C1C(=O)O 79589 [0,1,1,0,0,0|1,0,1]=4 198 B12R1.232 CC1=CC(F)=C(F)C=C1B(O)O W17322 [0,1,1,0,0,0|0,0,0]=2 199 B12R1.232 NC1=C(Cl)C=C(Cl)C(B(O)O)=C1 D85825 [0,1,1,0,0,0|1,1,0]=4 200 B12R1.232 OB(O)C1=CC(Cl)=C(F)C=C1F CL8940 [0,1,1,0,0,0|1,0,0]=3 201 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 67888 [0,1,1,0,0,0|2,0,0]=4 202 B12R1.452 O=CC1=CC(Cl)=C(B(O)O)C=C1 F30071 [0,1,1,0,0,0|2,0,0]=4 203 B12R1.893 CC1=C(B(O)O)C=CC(Cl)=C1Cl C77304 [0,1,1,0,0,0|0,1,0]=3 204 B12R1.893 CC1=CC=C(B(O)O)C(F)=C1F N12338 [0,1,1,0,0,0|2,0,0]=4 205 B12R1.893 OB(O)C1=CC=C(Cl)C(Cl)=C1Cl N12245 [0,1,1,0,0,0|1,1,0]=4 206 B12R1.1000 CC1=CC(Cl)=C(B(O)O)C(Cl)=C1 D71449 [0,1,1,0,0,0|2,0,0]=4 207 B12R1.1000 CC1=CC(F)=CC(C)=C1B(O)O F15549 [0,1,1,0,0,0|0,0,0]=2 208 B12R1.1000 OB(O)C1=C(Cl)C=C(F)C=C1Cl W17312 [0,1,1,0,0,0|1,0,0]=3 209 B12R1.1000 OB(O)C1=C(F)C=C(O)C=C1F Y10145 [0,1,1,0,0,0|2,0,0]=4 210 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [1,1,0,0,0,0|1,0,0]=3 211 B12R2.132 NC1=CC2=C(C=C1)COB2O 70440 [1,1,0,0,0,0|0,0,0]=2 212 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 76358 [1,1,0,0,0,0|1,0,1]=4 213 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 Y10487 [1,1,0,0,0,0|1,0,1]=4 214 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 82366 [1,1,0,0,0,0|1,0,1]=4 215 B12R2.132 OB1OCC2=C1C=C(F)C=C2 W19032 [1,1,0,0,0,0|0,0,0]=2 216 B12R2.132 OB1OCC2=C1C=C(O)C=C2 F12770 [1,1,0,0,0,0|0,0,0]=2 217 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 N10435 [1,1,0,0,0,0|2,0,0]=4 218 B12R2.132 O[C@H]1CCC2=C1C=C(Cl)C=C2 53581 [1,1,0,0,0,0|2,0,0]=4 219 B12R2.132 O[C@H]1CCC2=C1C=C(F)C=C2 N13071 [1,1,0,0,0,0|2,0,0]=4 220 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2O Y10331 [1,1,0,0,0,0|2,0,0]=4 221 B12R2.196 NC1=CC=CC2=C1COB2O D78898 [1,1,0,0,0,0|0,0,0]=2 222 B12R2.196 O=C1OCC2=C(F)C=CC=C12 89370 [1,1,0,0,0,0|1,0,1]=4 223 B12R2.196 O=C1OCC2=C1C=CC=C2O 76130 [1,1,0,0,0,0|1,0,1]=4 224 B12R2.196 OB1OCC2=C(F)C=CC=C12 N16983 [1,1,0,0,0,0|0,0,0]=2 225 B12R2.196 O[C@H]1CCC2=C(Cl)C=CC=C21 N12836 [1,1,0,0,0,0|2,0,0]=4 226 B12R2.196 O[C@H]1CCC2=C(F)C=CC=C21 N13047 [1,1,0,0,0,0|2,0,0]=4 227 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2O 72767 [1,1,0,0,0,0|2,0,0]=4 228 B12R2.203 NC1=C2C(=O)OCC2=CC=C1 F16457 [1,1,0,0,0,0|1,0,1]=4 229 B12R2.203 O=C1OCC2=CC=CC(Br)=C12 Y12627 [1,1,0,0,0,0|1,0,1]=4 230 B12R2.203 O=C1OCC2=CC=CC(F)=C12 N13153 [1,1,0,0,0,0|1,0,1]=4 231 B12R2.203 O=C1OCC2=CC=CC(I)=C12 D83894 [1,1,0,0,0,0|1,0,1]=4 232 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [1,1,0,0,0,0|2,0,0]=4 233 B12R2.44 O=CC1=CC2=C(C=C1)COC2 71932 [1,1,0,0,0,0|2,0,0]=4 234 B12R2.44 OCC1=CC2=C(C=C1)COC2 72635 [1,1,0,0,0,0|2,0,0]=4 235 B12R2.100 FC1=C(Br)C=C2CCCC2=C1 Y13363 [1,1,0,0,0,0|2,0,0]=4 236 B12R2.100 FC1=C(F)C=C2NCCC2=C1 35989 [1,1,0,0,0,0|2,0,0]=4 237 B12R2.246 NC1=C2NCCC2=CC(F)=C1 P19647 [1,1,0,0,0,0|2,0,0]=4 238 B12R2.606 C[C@H]1CC2=C(C=CC(F)=C2)N1 C76645 [1,1,0,0,0,0|2,0,0]=4 239 B12R2.606 O=C1CC2=C(C=C(F)C=C2)C1 53683 [1,1,0,0,0,0|2,0,0]=4 240 B14R2.28480 O[C@H]1CCOC2=CC(F)=CC(F)=C21 N14463 [0,1,0,0,0,1|2,0,0]=4 241 B14R2.5719 O=C(O)C1=CC2=C(C=C1)B(O)OC2 F20234 [0,2,0,0,0,0|1,0,0]=3 242 B12R2.24 FC1=CC2=C(C=C1)OCCC2 Y11947 [0,0,1,1,0,0|2,0,0]=4 243 B12R2.1081 FC1=C2OCCCC2=CC=C1 N11406 [0,0,1,1,0,0|2,0,0]=4 244 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,0,1,0|1,0,1]=4 245 B10R2.31 NC1=CC2=C(C=C1)CC2 67858 [1,0,0,0,1,0|2,0,0]=4 246 B10R2.31 NC1=CC2=C(C=C1)CC2 D83029 [1,0,0,0,1,0|2,0,0]=4