0 B11R2.1 BrC1=C2C=CC=CN2C=N1 C76930 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 BrC1=CNC2=CC=CN=C12 57032 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 BrC1=COC2=C1C=CC=N2 D82844 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 BrC1=CSC2=C1C=NC=C2 22943 [0,0,0,0,0,0|3,1,0]=4 4 B11R2.1 BrC1=CSC2=CC=CN=C12 P11256 [0,0,0,0,0,0|3,1,0]=4 5 B11R2.1 BrC1=NN=C2C=CC=CN12 27222 [0,0,0,0,0,0|3,0,0]=3 6 B11R2.1 BrC1=NN=C2N=CC=CN12 20260 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.1 BrC1=NNC2=C1C=CC=N2 FD7340 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.1 BrC1=NNC2=C1C=NC=N2 27690 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.1 BrC1=NNC2=NC=CN=C12 35398 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.1 BrC1=NSC2=C1C=CC=C2 D84733 [0,0,0,0,0,0|1,1,0]=2 11 B11R2.1 BrC1=NSC2=NC=CN=C12 27743 [0,0,0,0,0,0|3,1,0]=4 12 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,0,0,0|3,0,0]=3 13 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,0,0,0|3,0,0]=3 14 B11R2.1 CC1=CNC2=C1C=CN=C2 P11265 [0,0,0,0,0,0|4,0,0]=4 15 B11R2.1 CC1=CNC2=C1C=NC=C2 P11266 [0,0,0,0,0,0|4,0,0]=4 16 B11R2.1 CC1=CNC2=CC=CN=C12 F13594 [0,0,0,0,0,0|4,0,0]=4 17 B11R2.1 CC1=NN=C2C=CC=CN12 26659 [0,0,0,0,0,0|3,0,0]=3 18 B11R2.1 CC1=NN=C2C=NC=CN12 W17714 [0,0,0,0,0,0|4,0,0]=4 19 B11R2.1 CC1=NNC2=C1C=CN=C2 CL4527 [0,0,0,0,0,0|3,0,0]=3 20 B11R2.1 CC1=NNC2=C1C=NC=C2 86905 [0,0,0,0,0,0|3,0,0]=3 21 B11R2.1 CC1=NNC2=NC=CN=C12 52551 [0,0,0,0,0,0|4,0,0]=4 22 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,0,0,0,0,0|4,0,0]=4 23 B11R2.1 CN1N=CC2=C1C=CC=C2 P10138 [0,0,0,0,0,0|3,0,0]=3 24 B11R2.1 CN1N=CC2=CC=CN=C21 Y13575 [0,0,0,0,0,0|4,0,0]=4 25 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,0,0,0|2,0,2]=4 26 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [0,0,0,0,0,0|3,0,1]=4 27 B11R2.1 ClC1=C2C=CC=CN2N=C1 W16953 [0,0,0,0,0,0|4,0,0]=4 28 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [0,0,0,0,0,0|2,0,0]=2 29 B11R2.1 ClC1=NC=C2C=CC=CN21 D80267 [0,0,0,0,0,0|3,0,0]=3 30 B11R2.1 ClC1=NNC2=C1C=CC=N2 P10351 [0,0,0,0,0,0|3,0,0]=3 31 B11R2.1 ClC1=NNC2=C1C=CN=C2 72209 [0,0,0,0,0,0|3,0,0]=3 32 B11R2.1 ClC1=NOC2=CC=CN=C21 C73392 [0,0,0,0,0,0|2,0,0]=2 33 B11R2.1 FC1=CNC2=C1C=CC=N2 P15371 [0,0,0,0,0,0|4,0,0]=4 34 B11R2.1 FC1=NNC2=C1C=CC=C2 F30837 [0,0,0,0,0,0|2,0,0]=2 35 B11R2.1 IC1=C2C=CC=CN2N=C1 70375 [0,0,0,0,0,0|4,0,0]=4 36 B11R2.1 IC1=CNC2=C1C=CN=C2 36244 [0,0,0,0,0,0|4,0,0]=4 37 B11R2.1 IC1=NC=C2C=CC=CN21 AC4398 [0,0,0,0,0,0|3,0,0]=3 38 B11R2.1 IC1=NNC2=C1C=CN=C2 22942 [0,0,0,0,0,0|3,0,0]=3 39 B11R2.1 IC1=NNC2=C1C=NC=C2 P13274 [0,0,0,0,0,0|3,0,0]=3 40 B11R2.1 IC1=NNC2=CC=CN=C21 37475 [0,0,0,0,0,0|3,0,0]=3 41 B11R2.1 NC1=C2C=CC=CN2N=C1 C14671 [0,0,0,0,0,0|4,0,0]=4 42 B11R2.1 NC1=C2C=CC=CN2N=C1 E70398 [0,0,0,0,0,0|4,0,0]=4 43 B11R2.1 NC1=C2N=CC=CC2=NS1 F14138 [0,0,0,0,0,0|4,0,0]=4 44 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [0,0,0,0,0,0|3,0,0]=3 45 B11R2.1 NC1=CNC2=C1C=CN=C2 BL001287 [0,0,0,0,0,0|4,0,0]=4 46 B11R2.1 NC1=CNC2=NC=CC=C12 78898 [0,0,0,0,0,0|4,0,0]=4 47 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [0,0,0,0,0,0|2,1,0]=3 48 B11R2.1 NC1=CSC2=C1C=NC=C2 Y14608 [0,0,0,0,0,0|3,1,0]=4 49 B11R2.1 NC1=CSC2=C1N=CC=C2 D79718 [0,0,0,0,0,0|3,1,0]=4 50 B11R2.1 NC1=CSC2=NC=CC=C12 H12065 [0,0,0,0,0,0|3,1,0]=4 51 B11R2.1 NC1=NC=C2C=CC=CN21 AC2334 [0,0,0,0,0,0|3,0,0]=3 52 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,0,0,0,0,0|2,0,0]=2 53 B11R2.1 NC1=NN=C2N=CC=CN12 70879 [0,0,0,0,0,0|4,0,0]=4 54 B11R2.1 NC1=NNC2=C1C=CN=C2 BL009413 [0,0,0,0,0,0|3,0,0]=3 55 B11R2.1 NC1=NNC2=C1C=CN=N2 87813 [0,0,0,0,0,0|4,0,0]=4 56 B11R2.1 NC1=NNC2=C1C=NC=C2 BL009412 [0,0,0,0,0,0|3,0,0]=3 57 B11R2.1 NC1=NOC2=C1C=CN=C2 C71454 [0,0,0,0,0,0|2,0,0]=2 58 B11R2.1 NC1=NOC2=C1C=NC=C2 A50063 [0,0,0,0,0,0|2,0,0]=2 59 B11R2.1 NC1=NSC2=NC=CC=C12 27745 [0,0,0,0,0,0|2,1,0]=3 60 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,0,0,0,0,0|4,0,0]=4 61 B11R2.1 NN1N=CC2=C1C=CC=C2 S11721 [0,0,0,0,0,0|3,0,0]=3 62 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [0,0,0,0,0,0|2,0,1]=3 63 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,0,0,0,0,0|3,0,1]=4 64 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,0,0,0,0,0|3,0,1]=4 65 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [0,0,0,0,0,0|2,0,1]=3 66 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [0,0,0,0,0,0|2,0,1]=3 67 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,0,0,0|1,1,1]=3 68 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,0,0,0,0,0|2,0,2]=4 69 B11R2.1 O=C1NCC2=C1C=CN=C2 F19961 [0,0,0,0,0,0|2,0,2]=4 70 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [0,0,0,0,0,0|2,0,2]=4 71 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,0,0,0,0,0|2,0,2]=4 72 B11R2.1 O=C1NNC2=C1C=CC=N2 36117 [0,0,0,0,0,0|2,0,2]=4 73 B11R2.1 O=C1NNC2=C1C=CN=C2 F50508 [0,0,0,0,0,0|2,0,2]=4 74 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [0,0,0,0,0,0|2,0,2]=4 75 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,0,0,0,0,0|1,0,0]=1 76 B11R2.1 OC1=NOC2=C1CCNC2 P17040 [0,0,0,0,0,0|1,0,3]=4 77 B11R2.1 OC1=NOC2=NC=CC=C12 A51240 [0,0,0,0,0,0|1,0,0]=1 78 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,0,0,0,0,0|2,0,1]=3 79 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,0,0,0,0,0|3,0,1]=4 80 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,0,0,0,0,0|3,0,1]=4 81 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,0,0,0,0,0|3,0,1]=4 82 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,0,0,0,0,0|3,0,1]=4 83 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,0,0,0,0,0|3,0,1]=4 84 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [0,0,0,0,0,0|2,0,1]=3 85 B11R2.1 S=C1NN=C2C=CC=CN12 73777 [0,0,0,0,0,0|2,1,1]=4 86 B10R2.7 C1=CC2=C(C=C1)SN=N2 C74419 [1,0,0,0,0,0|1,1,0]=3 87 B10R2.7 C1=CC2=C(C=CO2)N=C1 BL002594 [1,0,0,0,0,0|2,0,0]=3 88 B10R2.7 C1=CC2=C(C=N1)C=NN2 CL3489 [1,0,0,0,0,0|2,0,0]=3 89 B10R2.7 C1=CC2=C(C=N1)N=CO2 C74415 [1,0,0,0,0,0|3,0,0]=4 90 B10R2.7 C1=CC2=CC=CN2C=C1 D94752 [1,0,0,0,0,0|3,0,0]=4 91 B10R2.7 C1=CC2=CC=NN2C=C1 21533 [1,0,0,0,0,0|3,0,0]=4 92 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [1,0,0,0,0,0|2,0,0]=3 93 B10R2.7 C1=CC2=N[Se]N=C2C=C1 T70699 [1,0,0,0,0,0|3,0,0]=4 94 B10R2.7 C1=CN2C=NC=C2C=N1 O11829 [1,0,0,0,0,0|3,0,0]=4 95 B10R2.7 C1=CN=C2C=NNC2=C1 20297 [1,0,0,0,0,0|2,0,0]=3 96 B10R2.7 C1=CN=C2N=NNC2=C1 I10125 [1,0,0,0,0,0|3,0,0]=4 97 B10R2.7 C1=CN=C2NN=CC2=N1 27786 [1,0,0,0,0,0|3,0,0]=4 98 B10R2.7 C1=CN=C2OC=CC2=C1 N13064 [1,0,0,0,0,0|2,0,0]=3 99 B10R2.7 C1=CN=C2OC=NC2=C1 32393 [1,0,0,0,0,0|3,0,0]=4 100 B10R2.7 C1=NC=C2NN=CC2=N1 90669 [1,0,0,0,0,0|3,0,0]=4 101 B12R2.1 BrCC1=NOC2=C1C=CC=C2 53608 [0,1,0,0,0,0|1,0,0]=2 102 B12R2.1 C#CC1=CNC2=C1C=CC=C2 30568 [0,1,0,0,0,0|3,0,0]=4 103 B12R2.1 CCC1=NNC2=C1C=CC=C2 C10488 [0,1,0,0,0,0|2,0,0]=3 104 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [0,1,0,0,0,0|2,0,1]=4 105 B12R2.1 N#CC1=COC2=C1C=CC=C2 N12998 [0,1,0,0,0,0|2,0,0]=3 106 B12R2.1 N#CC1=NNC2=C1C=CC=N2 81665 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.1 N#CC1=NNC2=CC=CN=C21 P14660 [0,1,0,0,0,0|3,0,0]=4 108 B12R2.1 N#CN1N=NC2=C1C=CC=C2 AB3057 [0,1,0,0,0,0|3,0,0]=4 109 B12R2.1 NCC1=CSC2=C1C=CC=C2 AC2201 [0,1,0,0,0,0|2,1,0]=4 110 B12R2.1 NCC1=CSC2=C1C=CC=C2 D94984 [0,1,0,0,0,0|2,1,0]=4 111 B12R2.1 NCC1=NNC2=C1C=CC=C2 26320 [0,1,0,0,0,0|2,0,0]=3 112 B12R2.1 NCC1=NNC2=C1C=CC=C2 C71652 [0,1,0,0,0,0|2,0,0]=3 113 B12R2.1 O=CC1=COC2=C1C=CC=C2 29951 [0,1,0,0,0,0|1,0,1]=3 114 B12R2.1 O=CC1=NC=C2C=CC=CN21 F14131 [0,1,0,0,0,0|2,0,1]=4 115 B12R2.1 O=CC1=NNC2=C1C=CC=N2 P11060 [0,1,0,0,0,0|2,0,1]=4 116 B12R2.1 OCC1=C2C=CC=CN2N=C1 71585 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.1 OCC1=CN=C2C=CC=CN12 71941 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.1 OCC1=CNC2=C1C=CC=N2 72092 [0,1,0,0,0,0|3,0,0]=4 119 B12R2.1 OCC1=NNC2=CC=CN=C21 C73393 [0,1,0,0,0,0|2,0,0]=3 120 B12R2.1 OCC1=NOC2=C1C=CC=C2 62838 [0,1,0,0,0,0|0,0,0]=1 121 B12R2.1 OC[C@H]1CNC2=C1C=CC=C2 AB9481 [0,1,0,0,0,0|2,0,1]=4 122 B12R2.1 OC[C@H]1COC2=C1C=CN=C2 F12475 [0,1,0,0,0,0|2,0,1]=4 123 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 54481 [0,1,0,0,0,0|2,0,0]=3 124 B12R2.18 CC1=C2C=CC=CC2=NN1C D83537 [0,1,0,0,0,0|2,0,1]=4 125 B12R2.18 CN1N=C2C=CC=CC2=C1Br P13368 [0,1,0,0,0,0|2,0,1]=4 126 B12R2.18 CN1N=C2C=CC=CC2=C1N D83793 [0,1,0,0,0,0|2,0,1]=4 127 B12R2.132 BrC1=CC2=C(C=C1)NC=C2I F15896 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.132 BrC1=CC2=C(C=N1)NN=C2I 80986 [0,1,0,0,0,0|3,0,0]=4 129 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 C75084 [0,1,0,0,0,0|3,0,0]=4 130 B12R2.132 CC1=CC2=C(C=C1)C=NN2C W16216 [0,1,0,0,0,0|3,0,0]=4 131 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [0,1,0,0,0,0|1,0,1]=3 132 B12R2.132 CC1=CC2=C(C=C1)ONC2=O C76060 [0,1,0,0,0,0|0,0,2]=3 133 B12R2.132 CC1=CN2C(O)=NN=C2C=C1 72002 [0,1,0,0,0,0|2,0,0]=3 134 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 87157 [0,1,0,0,0,0|3,0,0]=4 135 B12R2.132 CC1=NN=C2C=CC(N)=CN12 D83333 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.132 CC1=NNC2=C1C=C(F)C=C2 F17785 [0,1,0,0,0,0|2,0,0]=3 137 B12R2.132 CC1=NNC2=C1N=C(Cl)C=C2 P11756 [0,1,0,0,0,0|3,0,0]=4 138 B12R2.132 CC1=NNC2=CN=C(Br)C=C21 80987 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.132 CC1=NOC2=C1C=C(N)C=C2 27530 [0,1,0,0,0,0|1,0,0]=2 140 B12R2.132 CN1N=CC2=C1C=C(I)C=C2 C71796 [0,1,0,0,0,0|3,0,0]=4 141 B12R2.132 CN1N=CC2=C1C=C(O)C=C2 78492 [0,1,0,0,0,0|3,0,0]=4 142 B12R2.132 CN1N=NC2=C1C=C(Br)C=C2 C10116 [0,1,0,0,0,0|3,0,0]=4 143 B12R2.132 ClC1=CC2=C(C=C1)NC=C2Br 52613 [0,1,0,0,0,0|3,0,0]=4 144 B12R2.132 ClC1=CC2=C(C=C1)NN=C2Br P17828 [0,1,0,0,0,0|2,0,0]=3 145 B12R2.132 ClC1=CC2=C(C=C1)ON=C2Cl C73123 [0,1,0,0,0,0|1,0,0]=2 146 B12R2.132 ClC1=CC2=C(C=C1)SC=C2Br D93451 [0,1,0,0,0,0|2,1,0]=4 147 B12R2.132 ClC1=CC2=C(C=N1)NN=C2Br 24260 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.132 ClC1=CC2=C(C=N1)NN=C2I 79017 [0,1,0,0,0,0|3,0,0]=4 149 B12R2.132 ClC1=CC2=C(N=C1)NN=C2Br 79018 [0,1,0,0,0,0|3,0,0]=4 150 B12R2.132 ClC1=CC2=C(N=C1)NN=C2I 69234 [0,1,0,0,0,0|3,0,0]=4 151 B12R2.132 ClC1=CC=C2NN=C(I)C2=N1 79011 [0,1,0,0,0,0|3,0,0]=4 152 B12R2.132 ClC1=NOC2=C1C=C(Br)C=C2 F19599 [0,1,0,0,0,0|1,0,0]=2 153 B12R2.132 FC1=CC2=C(C=C1)ON=C2Cl O10983 [0,1,0,0,0,0|1,0,0]=2 154 B12R2.132 FC1=CC2=C(N=C1)NN=C2Br 85388 [0,1,0,0,0,0|3,0,0]=4 155 B12R2.132 FC1=CC2=C(N=C1)NN=C2I 82231 [0,1,0,0,0,0|3,0,0]=4 156 B12R2.132 NC1=CC2=C(C=C1)COB2O 70440 [0,1,0,0,0,0|3,0,0]=4 157 B12R2.132 NC1=CC2=C(C=C1)NN=C2Br 26595 [0,1,0,0,0,0|2,0,0]=3 158 B12R2.132 NC1=CC2=C(C=C1)NN=C2Cl P10513 [0,1,0,0,0,0|2,0,0]=3 159 B12R2.132 NC1=CC2=C(C=C1)ONC2=O C76344 [0,1,0,0,0,0|0,0,2]=3 160 B12R2.132 NC1=CC2=C(C=C1)SC=C2Br 96545 [0,1,0,0,0,0|2,1,0]=4 161 B12R2.132 NC1=NNC2=C1C=C(Cl)C=C2 76256 [0,1,0,0,0,0|2,0,0]=3 162 B12R2.132 N[C@H]1COC2=C1C=C(Br)C=C2 Y14813 [0,1,0,0,0,0|2,0,1]=4 163 B12R2.132 N[C@H]1COC2=C1C=C(Cl)C=C2 N10934 [0,1,0,0,0,0|2,0,1]=4 164 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [0,1,0,0,0,0|1,0,1]=3 165 B12R2.132 O=C1COC2=C1C=C(O)C=C2 P16901 [0,1,0,0,0,0|1,0,1]=3 166 B12R2.132 O=C1CSC2=C1C=C(Br)C=C2 F11126 [0,1,0,0,0,0|1,1,1]=4 167 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 84532 [0,1,0,0,0,0|1,0,2]=4 168 B12R2.132 O=C1NCC2=C1C=C(I)C=C2 87915 [0,1,0,0,0,0|1,0,2]=4 169 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 82363 [0,1,0,0,0,0|1,0,2]=4 170 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 27739 [0,1,0,0,0,0|0,0,2]=3 171 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 F30839 [0,1,0,0,0,0|0,1,2]=4 172 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 76358 [0,1,0,0,0,0|2,0,1]=4 173 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 Y10487 [0,1,0,0,0,0|2,0,1]=4 174 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 82366 [0,1,0,0,0,0|2,0,1]=4 175 B12R2.132 OB1OCC2=C1C=C(F)C=C2 W19032 [0,1,0,0,0,0|3,0,0]=4 176 B12R2.132 OB1OCC2=C1C=C(O)C=C2 F12770 [0,1,0,0,0,0|3,0,0]=4 177 B12R2.132 OC1=CC2=C(C=C1)NN=C2Cl AC1756 [0,1,0,0,0,0|2,0,0]=3 178 B12R2.132 OC1=NNC2=C1C=C(Br)C=C2 67466 [0,1,0,0,0,0|1,0,0]=2 179 B12R2.132 OC1=NNC2=C1C=C(I)C=C2 83259 [0,1,0,0,0,0|1,0,0]=2 180 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 N10435 [0,1,0,0,0,0|2,0,1]=4 181 B12R2.132 O[C@H]1CCC2=C1C=C(Cl)C=C2 53581 [0,1,0,0,0,0|2,0,1]=4 182 B12R2.132 O[C@H]1CCC2=C1C=C(F)C=C2 N13071 [0,1,0,0,0,0|2,0,1]=4 183 B12R2.196 BrC1=CC=CC2=C1NN=C2I P10628 [0,1,0,0,0,0|2,0,0]=3 184 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2O Y10331 [0,1,0,0,0,0|2,0,1]=4 185 B12R2.196 CC1=CC=CC2=C1CNC2=O 80956 [0,1,0,0,0,0|1,0,2]=4 186 B12R2.196 CC1=CC=CC2=C1NN=C2I 75854 [0,1,0,0,0,0|2,0,0]=3 187 B12R2.196 CC1=NN=C2C(Br)=CC=CN12 P11787 [0,1,0,0,0,0|3,0,0]=4 188 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 CL3496 [0,1,0,0,0,0|2,0,0]=3 189 B12R2.196 CC1=NOC2=C(Br)C=CC=C12 AC8269 [0,1,0,0,0,0|1,0,0]=2 190 B12R2.196 CN1N=CC2=C(I)C=CC=C21 P11317 [0,1,0,0,0,0|3,0,0]=4 191 B12R2.196 CN1N=CC2=C(O)C=CC=C21 24174 [0,1,0,0,0,0|3,0,0]=4 192 B12R2.196 CN1N=CC2=C1C=CC=C2N 24173 [0,1,0,0,0,0|3,0,0]=4 193 B12R2.196 ClC1=CC=CC2=C1NN=C2I A12918 [0,1,0,0,0,0|2,0,0]=3 194 B12R2.196 ClC1=NN=C2C(Br)=CC=CN12 38998 [0,1,0,0,0,0|3,0,0]=4 195 B12R2.196 ClC1=NNC2=C(Br)C=CC=C12 P10394 [0,1,0,0,0,0|2,0,0]=3 196 B12R2.196 ClC1=NOC2=C(Br)C=CC=C12 D75918 [0,1,0,0,0,0|1,0,0]=2 197 B12R2.196 FC1=CC=CC2=C1NN=C2I P10935 [0,1,0,0,0,0|2,0,0]=3 198 B12R2.196 NC1=CC=CC2=C1COB2O D78898 [0,1,0,0,0,0|3,0,0]=4 199 B12R2.196 NC1=CC=CC2=C1NN=C2Cl P11178 [0,1,0,0,0,0|2,0,0]=3 200 B12R2.196 NC1=CC=CC2=C1NN=C2I 37623 [0,1,0,0,0,0|2,0,0]=3 201 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11159 [0,1,0,0,0,0|2,0,1]=4 202 B12R2.196 N[C@H]1COC2=C(Br)C=CC=C21 N11250 [0,1,0,0,0,0|2,0,1]=4 203 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N11240 [0,1,0,0,0,0|2,0,1]=4 204 B12R2.196 N[C@H]1COC2=C(Cl)C=CC=C21 N16512 [0,1,0,0,0,0|2,0,1]=4 205 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N11235 [0,1,0,0,0,0|2,0,1]=4 206 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N16511 [0,1,0,0,0,0|2,0,1]=4 207 B12R2.196 O=C1COC2=C(Cl)C=CC=C12 AT10339 [0,1,0,0,0,0|1,0,1]=3 208 B12R2.196 O=C1NC=CC2=C1NN=C2Br F17470 [0,1,0,0,0,0|3,0,0]=4 209 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 F17918 [0,1,0,0,0,0|1,0,2]=4 210 B12R2.196 O=C1NCC2=C(F)C=CC=C12 94869 [0,1,0,0,0,0|1,0,2]=4 211 B12R2.196 O=C1NCC2=C1C=CC=C2O 52838 [0,1,0,0,0,0|1,0,2]=4 212 B12R2.196 O=C1OCC2=C(F)C=CC=C12 89370 [0,1,0,0,0,0|2,0,1]=4 213 B12R2.196 O=C1OCC2=C1C=CC=C2O 76130 [0,1,0,0,0,0|2,0,1]=4 214 B12R2.196 OB1OCC2=C(F)C=CC=C12 N16983 [0,1,0,0,0,0|3,0,0]=4 215 B12R2.196 O[C@H]1CCC2=C(Cl)C=CC=C21 N12836 [0,1,0,0,0,0|2,0,1]=4 216 B12R2.196 O[C@H]1CCC2=C(F)C=CC=C21 N13047 [0,1,0,0,0,0|2,0,1]=4 217 B12R2.196 O[C@H]1COC2=C(Br)C=CC=C21 Y10971 [0,1,0,0,0,0|1,0,1]=3 218 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2O 72767 [0,1,0,0,0,0|2,0,1]=4 219 B12R2.203 CC1=C2C(=CC=C1)NN=C2I W10500 [0,1,0,0,0,0|2,0,0]=3 220 B12R2.203 CC1=CNC2=CC=CC(O)=C12 71522 [0,1,0,0,0,0|3,0,0]=4 221 B12R2.203 CC1=NN=C2C=CC=C(Cl)N12 F31186 [0,1,0,0,0,0|3,0,0]=4 222 B12R2.203 CC1=NNC2=C1C(Cl)=NC=C2 90726 [0,1,0,0,0,0|3,0,0]=4 223 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 F18361 [0,1,0,0,0,0|2,0,0]=3 224 B12R2.203 CC1=NNC2=CN=CC(Br)=C21 P12060 [0,1,0,0,0,0|3,0,0]=4 225 B12R2.203 CC1=NOC2=CC=CC(Br)=C21 D83934 [0,1,0,0,0,0|1,0,0]=2 226 B12R2.203 CN1N=CC2=CC=CC(Br)=C21 26557 [0,1,0,0,0,0|3,0,0]=4 227 B12R2.203 CN1N=CC2=CC=CC(F)=C21 P16161 [0,1,0,0,0,0|3,0,0]=4 228 B12R2.203 ClC1=C2C(=CC=C1)NN=C2Br 78676 [0,1,0,0,0,0|2,0,0]=3 229 B12R2.203 ClC1=C2C(=CC=C1)NN=C2I O11212 [0,1,0,0,0,0|2,0,0]=3 230 B12R2.203 ClC1=C2C(=CC=N1)NN=C2Br A11971 [0,1,0,0,0,0|3,0,0]=4 231 B12R2.203 ClC1=C2C(I)=NNC2=NC=C1 73594 [0,1,0,0,0,0|3,0,0]=4 232 B12R2.203 FC1=C2C(=CC=C1)NN=C2Br I11311 [0,1,0,0,0,0|2,0,0]=3 233 B12R2.203 NC1=C2C(=CC=C1)NN=C2Br F11389 [0,1,0,0,0,0|2,0,0]=3 234 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 79955 [0,1,0,0,0,0|2,0,1]=4 235 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 P10726 [0,1,0,0,0,0|1,0,2]=4 236 B12R2.203 NC1=C2C(=O)OCC2=CC=C1 F16457 [0,1,0,0,0,0|2,0,1]=4 237 B12R2.203 NC1=C2C(Br)=COC2=CC=N1 88403 [0,1,0,0,0,0|3,0,0]=4 238 B12R2.203 NC1=NN=C2C=CC=C(Cl)N12 P12848 [0,1,0,0,0,0|3,0,0]=4 239 B12R2.203 NC1=NNC2=C1C(O)=NC=C2 CL3513 [0,1,0,0,0,0|3,0,0]=4 240 B12R2.203 NC1=NNC2=CN=CC(Br)=C21 F17920 [0,1,0,0,0,0|3,0,0]=4 241 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 58274 [0,1,0,0,0,0|2,0,1]=4 242 B12R2.203 O=C1COC2=CC=CC(Br)=C12 F13692 [0,1,0,0,0,0|1,0,1]=3 243 B12R2.203 O=C1COC2=CC=CC(F)=C12 C16679 [0,1,0,0,0,0|1,0,1]=3 244 B12R2.203 O=C1NCC2=CC=CC(F)=C12 90046 [0,1,0,0,0,0|1,0,2]=4 245 B12R2.203 O=C1OCC2=CC=CC(Br)=C12 Y12627 [0,1,0,0,0,0|2,0,1]=4 246 B12R2.203 O=C1OCC2=CC=CC(F)=C12 N13153 [0,1,0,0,0,0|2,0,1]=4 247 B12R2.203 O=C1OCC2=CC=CC(I)=C12 D83894 [0,1,0,0,0,0|2,0,1]=4 248 B12R2.203 OC1=NOC2=CC=CC(F)=C21 66461 [0,1,0,0,0,0|0,0,0]=1 249 B12R2.612 BrC1=CC2=C(C=N1)C(I)=NN2 79003 [0,1,0,0,0,0|3,0,0]=4 250 B12R2.612 BrC1=CN=C2C(=C1)NN=C2I 78997 [0,1,0,0,0,0|3,0,0]=4 251 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 78098 [0,1,0,0,0,0|2,0,1]=4 252 B12R2.612 CC1=CC2=C(C=C1)C(O)=NO2 O11611 [0,1,0,0,0,0|0,0,0]=1 253 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,1,0,0,0,0|2,0,1]=4 254 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 50641 [0,1,0,0,0,0|3,0,0]=4 255 B12R2.612 CC1=CNC2=C1C=CC(Cl)=C2 82345 [0,1,0,0,0,0|3,0,0]=4 256 B12R2.612 CC1=CNC2=C1C=CC(F)=C2 D97643 [0,1,0,0,0,0|3,0,0]=4 257 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 P11526 [0,1,0,0,0,0|3,0,0]=4 258 B12R2.612 CC1=NC2=C(C=C1)C(I)=NN2 88013 [0,1,0,0,0,0|3,0,0]=4 259 B12R2.612 CC1=NN=C2C=C(N)C=CN12 D94493 [0,1,0,0,0,0|3,0,0]=4 260 B12R2.612 CC1=NNC2=C1C=CC(Cl)=N2 38495 [0,1,0,0,0,0|3,0,0]=4 261 B12R2.612 CC1=NNC2=C1C=CC(F)=C2 I11286 [0,1,0,0,0,0|2,0,0]=3 262 B12R2.612 CC1=NNC2=C1C=CC(F)=N2 P11175 [0,1,0,0,0,0|3,0,0]=4 263 B12R2.612 CC1=NNC2=C1C=CC(I)=C2 38777 [0,1,0,0,0,0|2,0,0]=3 264 B12R2.612 CC1=NNC2=CC(Br)=CN=C21 38308 [0,1,0,0,0,0|3,0,0]=4 265 B12R2.612 CC1=NNC2=CC(Cl)=NC=C21 87200 [0,1,0,0,0,0|3,0,0]=4 266 B12R2.612 CN1N=CC2=C1C=CC(O)=C2 26833 [0,1,0,0,0,0|3,0,0]=4 267 B12R2.612 CN1N=NC2=C1C=CC(Br)=C2 F15530 [0,1,0,0,0,0|3,0,0]=4 268 B12R2.612 CN1N=NC2=C1C=CC(N)=C2 D92976 [0,1,0,0,0,0|3,0,0]=4 269 B12R2.612 ClC1=CC2=C(C=C1)C(Br)=NN2 P17591 [0,1,0,0,0,0|2,0,0]=3 270 B12R2.612 ClC1=CC2=C(C=C1)C(Cl)=CS2 D87906 [0,1,0,0,0,0|2,1,0]=4 271 B12R2.612 ClC1=CC2=C(C=C1)C(Cl)=NO2 27523 [0,1,0,0,0,0|1,0,0]=2 272 B12R2.612 ClC1=CC2=C(C=N1)C(I)=NN2 79014 [0,1,0,0,0,0|3,0,0]=4 273 B12R2.612 ClC1=NC2=C(C=C1)C(Br)=NN2 P13134 [0,1,0,0,0,0|3,0,0]=4 274 B12R2.612 ClC1=NC2=C(C=C1)C(I)=NN2 33686 [0,1,0,0,0,0|3,0,0]=4 275 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 83077 [0,1,0,0,0,0|1,0,0]=2 276 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NN2 P16034 [0,1,0,0,0,0|2,0,0]=3 277 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NO2 27521 [0,1,0,0,0,0|1,0,0]=2 278 B12R2.612 FC1=CC2=C(C=C1)C(I)=CN2 98354 [0,1,0,0,0,0|3,0,0]=4 279 B12R2.612 FC1=CC2=C(C=C1)C(I)=NN2 87979 [0,1,0,0,0,0|2,0,0]=3 280 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 20323 [0,1,0,0,0,0|1,0,2]=4 281 B12R2.612 NC1=CC2=C(C=C1)C(Cl)=NN2 22911 [0,1,0,0,0,0|2,0,0]=3 282 B12R2.612 NC1=NNC2=CC(Br)=CN=C21 39133 [0,1,0,0,0,0|3,0,0]=4 283 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 67309 [0,1,0,0,0,0|2,0,1]=4 284 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 Y10223 [0,1,0,0,0,0|2,0,1]=4 285 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11153 [0,1,0,0,0,0|2,0,1]=4 286 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11262 [0,1,0,0,0,0|2,0,1]=4 287 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14816 [0,1,0,0,0,0|2,0,1]=4 288 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,1,0,0,0,0|2,0,1]=4 289 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 67306 [0,1,0,0,0,0|1,0,1]=3 290 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 83087 [0,1,0,0,0,0|1,0,2]=4 291 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 26667 [0,1,0,0,0,0|0,0,2]=3 292 B12R2.612 O=C1NSC2=C1C=CC(F)=C2 S10563 [0,1,0,0,0,0|0,1,2]=4 293 B12R2.612 OB1OCC2=C1C=CC(O)=C2 P15896 [0,1,0,0,0,0|3,0,0]=4 294 B12R2.612 OC1=CC2=C(C=C1)C(Br)=NN2 F52085 [0,1,0,0,0,0|2,0,0]=3 295 B12R2.612 OC1=NOC2=C1C=CC(Br)=C2 93322 [0,1,0,0,0,0|0,0,0]=1 296 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67299 [0,1,0,0,0,0|2,0,1]=4 297 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67301 [0,1,0,0,0,0|2,0,1]=4 298 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 67308 [0,1,0,0,0,0|1,0,1]=3 299 B12R2.2028 BrC1=NC(Br)=C2C=CC=CN12 C76305 [0,1,0,0,0,0|3,0,0]=4 300 B12R2.2028 CN1C=C(Cl)C2=C1C=CC=C2 AB10986 [0,1,0,0,0,0|3,0,0]=4 301 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 24258 [0,1,0,0,0,0|2,0,0]=3 302 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 87996 [0,1,0,0,0,0|2,0,0]=3 303 B12R2.2028 CN1N=C(I)C2=NC=CC=C21 P12757 [0,1,0,0,0,0|3,0,0]=4 304 B12R2.2028 CN1N=C(N)C2=C1C=CN=C2 89911 [0,1,0,0,0,0|3,0,0]=4 305 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,1,0,0,0,0|1,0,2]=4 306 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,1,0,0,0,0|1,0,2]=4 307 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [0,1,0,0,0,0|1,0,2]=4 308 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [0,0,1,0,0,0|2,0,1]=4 310 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [0,0,1,0,0,0|2,0,1]=4 311 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,0,1,0,0,0|3,0,0]=4 312 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,0,1,0,0,0|3,0,0]=4 313 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,0,1,0,0,0|2,0,1]=4 314 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,0,1,0,0,0|2,0,1]=4 315 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,0,1,0,0,0|2,0,1]=4 316 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [0,0,1,0,0,0|2,0,1]=4 317 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [0,0,1,0,0,0|1,1,1]=4 318 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,0,1,0,0,0|2,0,1]=4 319 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [0,0,1,0,0,0|1,0,2]=4 320 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,0,1,0,0,0|2,0,1]=4 321 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 O12024 [0,0,1,0,0,0|2,0,0]=3 322 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [0,0,1,0,0,0|3,0,0]=4 323 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,0,1,0,0,0|2,0,1]=4 324 B10R1.17 OCCOC1=CN=CC=C1 D86242 [0,0,1,0,0,0|2,0,1]=4 325 B10R1.20 C=CC1=C(CO)C=CC=C1 C74805 [0,0,1,0,0,0|2,0,1]=4 326 B10R1.20 CNC1=C(C=O)C=CC=C1 O10528 [0,0,1,0,0,0|2,0,1]=4 327 B10R1.20 COC1=C(C=O)C=CN=C1 P17577 [0,0,1,0,0,0|2,0,1]=4 328 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [0,0,1,0,0,0|2,0,1]=4 329 B10R1.20 COC1=CC=CN=C1C=O P10318 [0,0,1,0,0,0|2,0,1]=4 330 B10R1.20 CSC1=C(C=O)C=CC=C1 T72851 [0,0,1,0,0,0|1,1,1]=4 331 B10R1.20 OCC1=C(CBr)C=CC=C1 O10024 [0,0,1,0,0,0|2,0,1]=4 332 B10R1.20 OCC1=C(CF)C=CC=C1 W10520 [0,0,1,0,0,0|2,0,1]=4 333 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,0,1,0,0,0|3,0,0]=4 334 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,0,1,0,0,0|2,0,1]=4 335 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,0,1,0,0,0|2,0,1]=4 336 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,0,1,0,0,0|2,0,1]=4 337 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [0,0,1,0,0,0|2,0,0]=3 338 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,0,1,0,0,0|3,0,0]=4 339 B10R1.61 CC1=CC=CN=C1C(=N)N I11838 [0,0,1,0,0,0|3,0,0]=4 340 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [0,0,1,0,0,0|2,0,1]=4 341 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,0,1,0,0,0|2,0,1]=4 342 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,0,1,0,0,0|2,0,1]=4 343 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,0,1,0,0,0|1,0,1]=3 344 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 71514 [0,0,1,0,0,0|2,0,0]=3 345 B10R1.61 N=C(N)C1=C(F)C=CC=N1 90259 [0,0,1,0,0,0|3,0,0]=4 346 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [0,0,1,0,0,0|1,0,2]=4 347 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [0,0,1,0,0,0|3,0,0]=4 348 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,0,0,0,1,0|1,0,1]=3 349 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 C76515 [0,0,0,0,0,1|2,0,0]=3 350 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 O10704 [0,0,0,0,0,1|2,0,0]=3 351 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,0,0,0,0,1|2,0,1]=4 352 B12R2.24 ClC1=CC2=CC=CC=C2N=N1 32281 [0,0,0,0,0,1|2,0,0]=3 353 B12R2.24 ClC1=NC2=NC=CC=C2C=N1 37149 [0,0,0,0,0,1|3,0,0]=4 354 B12R2.24 FC1=CC2=CC=CC=C2N=C1 F30311 [0,0,0,0,0,1|3,0,0]=4 355 B12R2.24 FC1=NC2=CC=CC=C2C=C1 H10138 [0,0,0,0,0,1|3,0,0]=4 356 B12R2.24 IC1=CC2=CC=CC=C2N=C1 AB9519 [0,0,0,0,0,1|3,0,0]=4 357 B12R2.24 IC1=NC2=CC=CC=C2C=C1 71122 [0,0,0,0,0,1|3,0,0]=4 358 B12R2.24 IC1=NC2=CC=CC=C2C=N1 W17116 [0,0,0,0,0,1|2,0,0]=3 359 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,0,0,0,0,1|2,0,1]=4 360 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,0,0,0,0,1|2,0,1]=4 361 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,0,0,0,0,1|2,0,1]=4 362 B12R2.24 O=C1C=C2C=CC=CC2=NN1 O11709 [0,0,0,0,0,1|1,0,2]=4 363 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,0,0,1|1,0,2]=4 364 B12R2.24 O=C1COC2=C(C=CC=N2)N1 83760 [0,0,0,0,0,1|2,0,1]=4 365 B12R2.24 O=C1COC2=C(C=CN=C2)N1 83761 [0,0,0,0,0,1|2,0,1]=4 366 B12R2.24 O=C1COC2=C(C=NC=C2)N1 84022 [0,0,0,0,0,1|2,0,1]=4 367 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,0,0,1|1,0,2]=4 368 B12R2.24 OC1=NC2=CC=CN=C2C=C1 68775 [0,0,0,0,0,1|3,0,0]=4 369 B12R2.24 OC1=NC2=CN=CC=C2C=C1 F30771 [0,0,0,0,0,1|3,0,0]=4 370 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,0,0,0,0,1|2,0,1]=4 371 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,0,0,0,0,1|2,0,1]=4 372 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,0,0,0,0,1|2,0,1]=4 373 B12R2.24 SC1=CC2=CC=CC=C2N=C1 D83175 [0,0,0,0,0,1|2,1,0]=4 374 B12R2.24 [O-]C1=CC2=CC=CC=C2C=C1 A12912 [0,0,0,0,0,1|2,0,1]=4 375 B12R2.1081 BrC1=CN=CC2=CC=CN=C12 37727 [0,0,0,0,0,1|3,0,0]=4 376 B12R2.1081 BrC1=CN=CC2=NC=CC=C12 D94580 [0,0,0,0,0,1|3,0,0]=4 377 B12R2.1081 BrC1=NC=CC2=CC=CN=C21 C16138 [0,0,0,0,0,1|3,0,0]=4 378 B12R2.1081 BrC1=NC=CC2=CN=CC=C21 O10380 [0,0,0,0,0,1|3,0,0]=4 379 B12R2.1081 CC1=CN=CC2=CC=CC=C12 84296 [0,0,0,0,0,1|2,0,0]=3 380 B12R2.1081 CC1=NC=NC2=CC=CC=C21 C76230 [0,0,0,0,0,1|2,0,0]=3 381 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [0,0,0,0,0,1|3,0,0]=4 382 B12R2.1081 ClC1=NC=CC2=CC=CN=C21 54219 [0,0,0,0,0,1|3,0,0]=4 383 B12R2.1081 ClC1=NC=CC2=CC=NC=C21 54216 [0,0,0,0,0,1|3,0,0]=4 384 B12R2.1081 ClC1=NC=CC2=CN=CC=C21 68952 [0,0,0,0,0,1|3,0,0]=4 385 B12R2.1081 ClC1=NC=NC2=CC=CN=C21 84267 [0,0,0,0,0,1|3,0,0]=4 386 B12R2.1081 ClC1=NC=NC2=CC=CN=C21 P10922 [0,0,0,0,0,1|3,0,0]=4 387 B12R2.1081 ClC1=NC=NC2=CN=CC=C21 67524 [0,0,0,0,0,1|3,0,0]=4 388 B12R2.1081 FC1=CC=NC2=CC=CC=C12 C13619 [0,0,0,0,0,1|3,0,0]=4 389 B12R2.1081 FC1=NC=NC2=CC=CC=C21 D79716 [0,0,0,0,0,1|2,0,0]=3 390 B12R2.1081 NC1=NC=CC2=CC=NC=C21 F13120 [0,0,0,0,0,1|3,0,0]=4 391 B12R2.1081 NC1=NC=CC2=NC=CC=C12 F10933 [0,0,0,0,0,1|3,0,0]=4 392 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [0,0,0,0,0,1|2,0,1]=4 393 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [0,0,0,0,0,1|2,0,1]=4 394 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,0,0,0,0,1|2,0,1]=4 395 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,0,0,0,0,1|2,0,1]=4 396 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 F31381 [0,0,0,0,0,1|2,0,1]=4 397 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [0,0,0,0,0,1|2,0,1]=4 398 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [0,0,0,0,0,1|1,0,2]=4 399 B12R2.1081 O=C1NN=CC2=C1C=CC=N2 84843 [0,0,0,0,0,1|2,0,1]=4 400 B12R2.1081 O=C1NN=CC2=C1C=CN=C2 84845 [0,0,0,0,0,1|2,0,1]=4 401 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 N10038 [0,0,0,0,0,1|2,0,1]=4 402 B12R2.1081 OC1=CC=CC2=CC=NC=C12 F13966 [0,0,0,0,0,1|3,0,0]=4 403 B12R2.1081 OC1=CC=NC2=CC=CN=C12 64521 [0,0,0,0,0,1|3,0,0]=4 404 B12R2.1081 OC1=NC=CC2=CC=NC=C21 54215 [0,0,0,0,0,1|2,0,0]=3 405 B12R2.1081 OC1=NC=CC2=CN=CC=C21 68953 [0,0,0,0,0,1|2,0,0]=3 406 B12R2.1081 OC1=NC=NC2=CC=CN=C21 83116 [0,0,0,0,0,1|2,0,0]=3 407 B12R2.1081 OC1=NC=NC2=NC=CN=C12 O12054 [0,0,0,0,0,1|3,0,0]=4 408 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,0,0,0,0,1|2,0,1]=4 409 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,0,0,0,0,1|2,0,1]=4 410 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [0,0,0,0,0,1|2,0,1]=4 411 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [0,0,0,0,0,1|1,0,1]=3 412 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,0,0,0,0,1|1,0,1]=3 413 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [1,0,1,0,0,0|2,0,0]=4 414 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,1,0,0,0|1,0,0]=3 415 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,1,0,0,0|0,0,0]=2 416 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [1,0,1,0,0,0|1,0,1]=4 417 B9R1.15 COC1=C(O)C=NC=C1 79066 [1,0,1,0,0,0|2,0,0]=4 418 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [1,0,1,0,0,0|1,0,1]=4 419 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [1,0,1,0,0,0|1,0,1]=4 420 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [1,0,1,0,0,0|1,0,1]=4 421 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [1,0,1,0,0,0|1,0,1]=4 422 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,1,1,0,0,0|0,0,2]=4 423 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,1,1,0,0,0|1,0,1]=4 424 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 A12574 [0,1,1,0,0,0|1,0,0]=3 425 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 60210 [0,1,1,0,0,0|1,0,0]=3 426 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,1,1,0,0,0|1,0,1]=4 427 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [0,1,1,0,0,0|1,0,1]=4 428 B11R1.22 O\N=C(/Cl)C1=CC=C(Br)C=C1 65916 [0,1,1,0,0,0|1,0,0]=3 429 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 A12381 [0,1,1,0,0,0|1,0,0]=3 430 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,1,0,0,0|1,0,1]=4 431 B11R1.222 CC1=CC=CN=C1\C(N)=N\O W10706 [0,1,1,0,0,0|2,0,0]=4 432 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 W19004 [0,1,1,0,0,0|1,0,0]=3 433 B11R1.222 N\C(=N\O)C1=C(Cl)C=CC=C1 W10711 [0,1,1,0,0,0|1,0,0]=3 434 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,1,1,0,0,0|1,0,1]=4 435 B11R1.1 OCCOC1=CC=C(Br)C=C1 AC1411 [0,1,1,0,0,0|1,0,1]=4 436 B11R1.17 C=CCOC1=C(O)C=CC=C1 H11445 [0,1,1,0,0,0|2,0,0]=4 437 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,1,1,0,0,0|1,0,1]=4 438 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [0,1,1,0,0,0|2,0,0]=4 439 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,1,1,0,0,0|2,0,0]=4 440 B11R1.37 COC1=C(C=O)C=C(I)C=C1 63781 [0,1,1,0,0,0|1,0,1]=4 441 B11R1.37 COC1=C(C=O)C=C(O)C=C1 C74824 [0,1,1,0,0,0|1,0,1]=4 442 B11R1.37 COC1=C(CO)C=C(C)C=C1 A12781 [0,1,1,0,0,0|1,0,1]=4 443 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 20565 [0,1,1,0,0,0|1,0,1]=4 444 B11R1.37 COC1=C(CO)C=CC(O)=C1 C71627 [0,1,1,0,0,0|1,0,1]=4 445 B11R1.41 COC1=C(CC=O)C=CC=C1 29933 [0,1,1,0,0,0|1,0,1]=4 446 B11R1.41 COCC1=C(C=O)C=CC=C1 A11867 [0,1,1,0,0,0|1,0,1]=4 447 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 77937 [0,1,1,0,0,0|2,0,0]=4 448 B11R1.53 COC1=C(C(=N)N)C=CC=C1 71596 [0,1,1,0,0,0|2,0,0]=4 449 B11R1.265 COC1=C(F)C=CC=C1CO 26176 [0,1,1,0,0,0|1,0,1]=4 450 B11R1.156 CC(=O)C1=C(O)C=CC=C1C CL9444 [0,1,1,0,0,0|1,0,1]=4 451 B11R1.156 NC1=CC=CC(I)=C1C(=O)O FD13014 [0,1,1,0,0,0|2,0,0]=4 452 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O C15718 [0,1,1,0,0,0|1,0,0]=3 453 B11R1.156 O=C(O)C1=C(I)C=CC=C1Br 81858 [0,1,1,0,0,0|2,0,0]=4 454 B11R1.156 O=C(O)C1=C(O)C=CN=C1Br D94451 [0,1,1,0,0,0|2,0,0]=4 455 B11R1.156 OB(O)C1=C(Cl)C=CC=C1O H11802 [0,1,1,0,0,0|2,0,0]=4 456 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 O10249 [0,1,1,0,0,0|1,0,1]=4 457 B11R1.159 N=C(N)C1=CC=CC(Cl)=C1Cl 71884 [0,1,1,0,0,0|2,0,0]=4 458 B11R1.159 O=C(O)C1=CC=CC(=O)N1O 36408 [0,1,1,0,0,0|2,0,0]=4 459 B11R1.159 O=C(O)C1=CC=CC(=S)N1O W11623 [0,1,1,0,0,0|2,0,0]=4 460 B11R1.159 O=C(O)C1=CC=CC(O)=C1Cl CL9330 [0,1,1,0,0,0|2,0,0]=4 461 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O Y10035 [0,1,1,0,0,0|2,0,0]=4 462 B11R1.159 OB(O)C1=CC=CC(Cl)=C1O D71389 [0,1,1,0,0,0|2,0,0]=4 463 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,1,1,0,0,0|2,0,0]=4 464 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 72118 [0,1,1,0,0,0|0,0,2]=4 465 B11R1.166 NC(=O)C1=C(O)C=C(N)C=C1 O11153 [0,1,1,0,0,0|0,0,2]=4 466 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [0,1,1,0,0,0|2,0,0]=4 467 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [0,1,1,0,0,0|2,0,0]=4 468 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [0,1,1,0,0,0|2,0,0]=4 469 B11R1.167 CC1=CC(B(O)O)=C(O)C=C1 F16104 [0,1,1,0,0,0|2,0,0]=4 470 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 C72632 [0,1,1,0,0,0|2,0,0]=4 471 B11R1.167 N=C(N)C1=C(F)C=CC(Br)=C1 D83462 [0,1,1,0,0,0|2,0,0]=4 472 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 C90520 [0,1,1,0,0,0|2,0,0]=4 473 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 F52721 [0,1,1,0,0,0|2,0,0]=4 474 B11R1.167 O=C(Cl)C1=C(O)C=CC(Cl)=C1 W16064 [0,1,1,0,0,0|1,0,1]=4 475 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 69861 [0,1,1,0,0,0|2,0,0]=4 476 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=N1 26690 [0,1,1,0,0,0|2,0,0]=4 477 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1O A10724 [0,1,1,0,0,0|2,0,0]=4 478 B11R1.167 O=C(O)C1=CC(F)=CN=C1O A12916 [0,1,1,0,0,0|2,0,0]=4 479 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [1,1,0,0,0,0|1,0,0]=3 480 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [1,1,0,0,0,0|1,0,0]=3 481 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [1,1,0,0,0,0|2,0,0]=4 482 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [1,1,0,0,0,0|2,0,0]=4 483 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [1,1,0,0,0,0|1,0,0]=3 484 B11R2.10 IC1=CC2=C(C=CC=C2)S1 F13439 [1,1,0,0,0,0|1,1,0]=4 485 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [1,1,0,0,0,0|1,1,0]=4 486 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 25694 [1,1,0,0,0,0|0,0,0]=2 487 B11R2.36 BrC1=CC2=CN=CN2C=C1 O11640 [1,1,0,0,0,0|2,0,0]=4 488 B11R2.36 BrC1=CC2=NN=CN2C=C1 26419 [1,1,0,0,0,0|2,0,0]=4 489 B11R2.36 BrC1=CN=C2OC=CC2=C1 83432 [1,1,0,0,0,0|2,0,0]=4 490 B11R2.36 BrC1=NC2=C(C=C1)C=NN2 P16609 [1,1,0,0,0,0|2,0,0]=4 491 B11R2.36 CC1=CC2=C(C=C1)SC=C2 F11127 [1,1,0,0,0,0|1,1,0]=4 492 B11R2.36 CC1=CC2=C(C=CS2)C=C1 C73204 [1,1,0,0,0,0|1,1,0]=4 493 B11R2.36 CC1=CN=C2C=NNC2=C1 P11915 [1,1,0,0,0,0|2,0,0]=4 494 B11R2.36 CC1=NC2=C(C=C1)C=NN2 CL3535 [1,1,0,0,0,0|2,0,0]=4 495 B11R2.36 CC1=NC2=C(C=C1)NN=C2 79023 [1,1,0,0,0,0|2,0,0]=4 496 B11R2.36 CC1=NC=C2NN=CC2=C1 74056 [1,1,0,0,0,0|2,0,0]=4 497 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 53583 [1,1,0,0,0,0|2,0,0]=4 498 B11R2.36 ClC1=CC2=C(C=C1)N=CO2 W17078 [1,1,0,0,0,0|2,0,0]=4 499 B11R2.36 ClC1=CC2=C(C=C1)OCC2 W17536 [1,1,0,0,0,0|1,0,1]=4 500 B11R2.36 ClC1=CC2=C(C=C1)ON=C2 D78570 [1,1,0,0,0,0|0,0,0]=2 501 B11R2.36 ClC1=CC2=C(C=CC2)C=C1 F13902 [1,1,0,0,0,0|2,0,0]=4 502 B11R2.36 ClC1=CN=C2C=COC2=C1 W16842 [1,1,0,0,0,0|2,0,0]=4 503 B11R2.36 ClC1=NC2=C(C=C1)OC=C2 P11783 [1,1,0,0,0,0|2,0,0]=4 504 B11R2.36 FC1=CC2=C(C=C1)CCO2 Y13232 [1,1,0,0,0,0|1,0,1]=4 505 B11R2.36 FC1=CC2=C(C=C1)NN=N2 O11430 [1,1,0,0,0,0|2,0,0]=4 506 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F30233 [1,1,0,0,0,0|1,0,0]=3 507 B11R2.36 FC1=CC2=C(C=C1)OCO2 AC4347 [1,1,0,0,0,0|2,0,0]=4 508 B11R2.36 FC1=CC2=C(C=CS2)C=C1 P15213 [1,1,0,0,0,0|1,1,0]=4 509 B11R2.36 FC1=CN=C2NN=CC2=C1 39182 [1,1,0,0,0,0|2,0,0]=4 510 B11R2.36 IC1=CC2=C(C=C1)ON=C2 C77293 [1,1,0,0,0,0|0,0,0]=2 511 B11R2.36 NC1=CC2=C(C=C1)C=NO2 26398 [1,1,0,0,0,0|0,0,0]=2 512 B11R2.36 NC1=CC2=C(C=C1)CCO2 F12399 [1,1,0,0,0,0|1,0,1]=4 513 B11R2.36 NC1=CC2=C(C=C1)N=NS2 F51398 [1,1,0,0,0,0|1,1,0]=4 514 B11R2.36 NC1=CC2=C(C=C1)OCO2 D97371 [1,1,0,0,0,0|2,0,0]=4 515 B11R2.36 NC1=CC2=C(C=C1)SN=C2 W17193 [1,1,0,0,0,0|0,1,0]=3 516 B11R2.36 NC1=CC2=C(C=CO2)C=C1 D70068 [1,1,0,0,0,0|1,0,0]=3 517 B11R2.36 NC1=CC2=NN=CN2C=C1 C10010 [1,1,0,0,0,0|2,0,0]=4 518 B11R2.36 NC1=CC2=NN=CN2C=C1 C73023 [1,1,0,0,0,0|2,0,0]=4 519 B11R2.36 NC1=CN2C=NN=C2C=C1 D70568 [1,1,0,0,0,0|2,0,0]=4 520 B11R2.36 NC1=NC2=C(C=C1)C=NN2 33196 [1,1,0,0,0,0|2,0,0]=4 521 B11R2.36 NC1=NC2=C(C=C1)NN=C2 79520 [1,1,0,0,0,0|2,0,0]=4 522 B11R2.36 NC1=NC=C2C=NNC2=C1 F18593 [1,1,0,0,0,0|2,0,0]=4 523 B11R2.36 NC1=NC=C2NN=CC2=C1 P11210 [1,1,0,0,0,0|2,0,0]=4 524 B11R2.36 OC1=CC2=C(C=C1)C=NO2 24777 [1,1,0,0,0,0|0,0,0]=2 525 B11R2.36 OC1=CC2=C(C=C1)CCO2 27138 [1,1,0,0,0,0|1,0,1]=4 526 B11R2.36 OC1=CC2=C(C=C1)N=CO2 D77541 [1,1,0,0,0,0|2,0,0]=4 527 B11R2.36 OC1=CC2=C(C=C1)OC=N2 AC4843 [1,1,0,0,0,0|2,0,0]=4 528 B11R2.36 OC1=CC2=C(C=C1)OCC2 24188 [1,1,0,0,0,0|1,0,1]=4 529 B11R2.36 OC1=CC2=C(C=C1)SC=C2 59802 [1,1,0,0,0,0|1,1,0]=4 530 B11R2.36 OC1=CC2=C(C=CO2)C=C1 84605 [1,1,0,0,0,0|1,0,0]=3 531 B11R2.36 OC1=NC2=C(C=C1)C=NN2 I11250 [1,1,0,0,0,0|2,0,0]=4 532 B11R2.106 BrC1=C2C=NOC2=CC=C1 27210 [1,1,0,0,0,0|0,0,0]=2 533 B11R2.106 BrC1=C2NN=CC2=CN=C1 38500 [1,1,0,0,0,0|2,0,0]=4 534 B11R2.106 BrC1=C2OC=CC2=CN=C1 F11867 [1,1,0,0,0,0|2,0,0]=4 535 B11R2.106 BrC1=C2OCOC2=CC=C1 67234 [1,1,0,0,0,0|2,0,0]=4 536 B11R2.106 BrC1=C2ON=CC2=CC=C1 38088 [1,1,0,0,0,0|0,0,0]=2 537 B11R2.106 BrC1=C2SN=NC2=CC=C1 F30547 [1,1,0,0,0,0|1,1,0]=4 538 B11R2.106 BrC1=CC=CC2=CN=CN12 O11387 [1,1,0,0,0,0|2,0,0]=4 539 B11R2.106 BrC1=CC=CN2C=NC=C12 P19207 [1,1,0,0,0,0|2,0,0]=4 540 B11R2.106 BrC1=NC=CC2=C1C=CO2 D96576 [1,1,0,0,0,0|2,0,0]=4 541 B11R2.106 BrC1=NC=CC2=C1C=NN2 24286 [1,1,0,0,0,0|2,0,0]=4 542 B11R2.106 BrC1=NC=CC2=C1NN=C2 24367 [1,1,0,0,0,0|2,0,0]=4 543 B11R2.106 CC1=C2CC=CC2=CC=C1 Y10332 [1,1,0,0,0,0|2,0,0]=4 544 B11R2.106 CC1=C2NN=CC2=NC=C1 F18638 [1,1,0,0,0,0|2,0,0]=4 545 B11R2.106 CC1=CC=CC2=C1C=CS2 C72689 [1,1,0,0,0,0|1,1,0]=4 546 B11R2.106 CC1=NC=CC2=C1C=NN2 79026 [1,1,0,0,0,0|2,0,0]=4 547 B11R2.106 ClC1=C2C=NNC2=CN=C1 Y10389 [1,1,0,0,0,0|2,0,0]=4 548 B11R2.106 ClC1=C2CC=CC2=CC=C1 C75442 [1,1,0,0,0,0|2,0,0]=4 549 B11R2.106 ClC1=C2CCOC2=CC=C1 52389 [1,1,0,0,0,0|1,0,1]=4 550 B11R2.106 ClC1=C2N=COC2=CC=C1 D76689 [1,1,0,0,0,0|2,0,0]=4 551 B11R2.106 ClC1=C2NN=CC2=NC=C1 CL4556 [1,1,0,0,0,0|2,0,0]=4 552 B11R2.106 ClC1=C2NN=NC2=CC=C1 C76113 [1,1,0,0,0,0|2,0,0]=4 553 B11R2.106 ClC1=C2OC=CC2=CC=C1 AC5711 [1,1,0,0,0,0|1,0,0]=3 554 B11R2.106 ClC1=C2OC=CC2=NC=C1 37526 [1,1,0,0,0,0|2,0,0]=4 555 B11R2.106 ClC1=C2SC=CC2=CC=C1 82930 [1,1,0,0,0,0|1,1,0]=4 556 B11R2.106 ClC1=CC=CN2C=NN=C12 24778 [1,1,0,0,0,0|2,0,0]=4 557 B11R2.106 ClC1=NC=CC2=C1OC=C2 37668 [1,1,0,0,0,0|2,0,0]=4 558 B11R2.106 FC1=C2N=COC2=CC=C1 AC4244 [1,1,0,0,0,0|2,0,0]=4 559 B11R2.106 FC1=C2OC=CC2=CC=C1 52893 [1,1,0,0,0,0|1,0,0]=3 560 B11R2.106 FC1=C2SC=CC2=CC=C1 F13949 [1,1,0,0,0,0|1,1,0]=4 561 B11R2.106 FC1=CC=CC2=C1C=CS2 70408 [1,1,0,0,0,0|1,1,0]=4 562 B11R2.106 IC1=C2C=NNC2=CC=C1 P10510 [1,1,0,0,0,0|1,0,0]=3 563 B11R2.106 IC1=C2C=NNC2=NC=C1 32761 [1,1,0,0,0,0|2,0,0]=4 564 B11R2.106 IC1=C2NC=CC2=CC=C1 94618 [1,1,0,0,0,0|2,0,0]=4 565 B11R2.106 NC1=C2C=NNC2=NC=C1 CL3488 [1,1,0,0,0,0|2,0,0]=4 566 B11R2.106 NC1=C2OC=CC2=CC=C1 F20181 [1,1,0,0,0,0|1,0,0]=3 567 B11R2.106 NC1=C2OC=CC2=CC=C1 P16876 [1,1,0,0,0,0|1,0,0]=3 568 B11R2.106 NC1=C2OCCC2=CC=C1 Y10505 [1,1,0,0,0,0|1,0,1]=4 569 B11R2.106 NC1=C2OCOC2=CC=C1 25897 [1,1,0,0,0,0|2,0,0]=4 570 B11R2.106 NC1=CC=CC2=C1C=CO2 52950 [1,1,0,0,0,0|1,0,0]=3 571 B11R2.106 NC1=CC=CC2=C1C=CS2 51426 [1,1,0,0,0,0|1,1,0]=4 572 B11R2.106 NC1=CC=CC2=C1C=CS2 Y11369 [1,1,0,0,0,0|1,1,0]=4 573 B11R2.106 NC1=CC=CC2=C1N=NS2 F20183 [1,1,0,0,0,0|1,1,0]=4 574 B11R2.106 NC1=NC=CC2=C1C=CO2 92019 [1,1,0,0,0,0|2,0,0]=4 575 B11R2.106 NC1=NC=CC2=C1C=NN2 D72082 [1,1,0,0,0,0|2,0,0]=4 576 B11R2.106 O=C1NC=CC2=C1C=NN2 90736 [1,1,0,0,0,0|2,0,0]=4 577 B11R2.106 O=C1NC=CC2=C1OC=C2 P10185 [1,1,0,0,0,0|2,0,0]=4 578 B11R2.106 OC1=C2N=NNC2=CC=C1 H10523 [1,1,0,0,0,0|2,0,0]=4 579 B11R2.106 OC1=C2OC=CC2=CC=C1 70790 [1,1,0,0,0,0|1,0,0]=3 580 B11R2.106 OC1=C2OCOC2=CC=C1 Y13605 [1,1,0,0,0,0|2,0,0]=4 581 B11R2.106 OC1=CC=CC2=C1N=CO2 F17479 [1,1,0,0,0,0|2,0,0]=4 582 B13R2.32 CC1=C(N)N=CC2=CC=CC=C21 D94798 [0,1,0,0,0,1|2,0,0]=4 583 B13R2.32 CC1=C(O)C=NC2=CC=CC=C21 C75922 [0,1,0,0,0,1|2,0,0]=4 584 B13R2.32 NC1=C(Cl)N=CC2=CC=CC=C21 27243 [0,1,0,0,0,1|2,0,0]=4 585 B13R2.32 NC1=COC2=C(C=CC=C2)C1=O 50132 [0,1,0,0,0,1|2,0,0]=4 586 B13R2.32 OC1=C(Br)C2=CC=CC=C2N=C1 79295 [0,1,0,0,0,1|2,0,0]=4 587 B13R2.32 OC1=C(I)C2=CC=CC=C2C=C1 34754 [0,1,0,0,0,1|2,0,0]=4 588 B13R2.32 OC1=C(O)C2=CC=CC=C2C=C1 T71079 [0,1,0,0,0,1|2,0,0]=4 589 B13R2.57 COC1=CC2=CC=NC=C2C=N1 66261 [0,1,0,0,0,1|2,0,0]=4 590 B13R2.57 COC1=NC2=CC=CC=C2C=C1 W11244 [0,1,0,0,0,1|2,0,0]=4 591 B13R2.57 ClCC1=CC2=CC=CC=C2C=N1 C72814 [0,1,0,0,0,1|2,0,0]=4 592 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 27594 [0,1,0,0,0,1|2,0,0]=4 593 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 C73130 [0,1,0,0,0,1|2,0,0]=4 594 B13R2.57 OCC1=NC2=CC=CC=C2C=C1 BL002914 [0,1,0,0,0,1|2,0,0]=4 595 B13R2.57 OCC1=NC2=CC=CC=C2N=C1 68418 [0,1,0,0,0,1|2,0,0]=4 596 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10628 [0,1,0,0,0,1|1,0,1]=4 597 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)O1 I10630 [0,1,0,0,0,1|1,0,1]=4 598 B13R2.155 CC1=CC=C2C=CC(O)=CC2=C1 N12964 [0,1,0,0,0,1|2,0,0]=4 599 B13R2.155 CC1=NC=C2C=CC(Cl)=CC2=C1 C72624 [0,1,0,0,0,1|2,0,0]=4 600 B13R2.155 ClC1=CC=C2C=NC(Br)=CC2=C1 D84720 [0,1,0,0,0,1|2,0,0]=4 601 B13R2.155 ClC1=CC=C2C=NC(Cl)=NC2=C1 F15786 [0,1,0,0,0,1|2,0,0]=4 602 B13R2.155 ClC1=NC=C2C=CC(Br)=CC2=C1 26283 [0,1,0,0,0,1|2,0,0]=4 603 B13R2.155 ClC1=NC=C2C=CC(I)=CC2=N1 D83979 [0,1,0,0,0,1|2,0,0]=4 604 B13R2.155 FC1=CC=C2C=NC(Cl)=CC2=C1 96184 [0,1,0,0,0,1|2,0,0]=4 605 B13R2.155 FC1=CC=C2C=NC(Cl)=NC2=C1 F15885 [0,1,0,0,0,1|2,0,0]=4 606 B13R2.155 FC1=NC=C2C=CC(Br)=CC2=C1 87627 [0,1,0,0,0,1|2,0,0]=4 607 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 C75426 [0,1,0,0,0,1|2,0,0]=4 608 B13R2.155 NC1=NC=C2C=CC(Cl)=CC2=C1 68524 [0,1,0,0,0,1|2,0,0]=4 609 B13R2.155 NC1=NC=C2C=CC(F)=CC2=C1 68512 [0,1,0,0,0,1|2,0,0]=4 610 B13R2.155 OC1=CC=C2C=CC(Cl)=CC2=C1 N14581 [0,1,0,0,0,1|2,0,0]=4 611 B13R2.155 OC1=CC=C2C=NC(Cl)=CC2=C1 79087 [0,1,0,0,0,1|2,0,0]=4 612 B13R2.155 OC1=CN=C2C=CC(Br)=CC2=C1 83287 [0,1,0,0,0,1|2,0,0]=4 613 B13R2.155 OC1=CN=C2C=CC(Cl)=CC2=C1 33286 [0,1,0,0,0,1|2,0,0]=4 614 B13R2.155 OC1=CN=C2C=CC(F)=CC2=C1 33295 [0,1,0,0,0,1|2,0,0]=4 615 B13R2.155 OC1=NC=C2C=CC(F)=CC2=C1 O11595 [0,1,0,0,0,1|1,0,0]=3 616 B13R2.162 CC1=CC2=C(N)C=CC=C2C=N1 96525 [0,1,0,0,0,1|2,0,0]=4 617 B13R2.162 CC1=CC=CC2=C1NC(=O)CO2 AC5872 [0,1,0,0,0,1|1,0,1]=4 618 B13R2.162 CC1=NC=C2C=CC=C(Br)C2=C1 78671 [0,1,0,0,0,1|2,0,0]=4 619 B13R2.162 ClC1=NC=C2C=CC=C(I)C2=C1 P20617 [0,1,0,0,0,1|2,0,0]=4 620 B13R2.162 NC1=C2C=C(Cl)N=CC2=CC=C1 F15219 [0,1,0,0,0,1|2,0,0]=4 621 B13R2.162 NC1=NC=C2C=CC=C(Br)C2=C1 68521 [0,1,0,0,0,1|2,0,0]=4 622 B13R2.162 NC1=NC=C2C=CC=C(Cl)C2=C1 68519 [0,1,0,0,0,1|2,0,0]=4 623 B13R2.162 O=C1COC2=CC=CC(Cl)=C2N1 90446 [0,1,0,0,0,1|1,0,1]=4 624 B13R2.162 O=C1COC2=CC=CC(F)=C2N1 90424 [0,1,0,0,0,1|1,0,1]=4 625 B13R2.162 OC1=C2N=C(Cl)N=CC2=CC=C1 F15787 [0,1,0,0,0,1|2,0,0]=4 626 B13R2.162 OC1=CC=C2C=CC=C(Br)C2=C1 N12565 [0,1,0,0,0,1|2,0,0]=4 627 B13R2.162 OC1=CC=C2C=CC=C(Cl)C2=C1 Y11367 [0,1,0,0,0,1|2,0,0]=4 628 B13R2.162 OC1=CC=C2C=CC=C(F)C2=C1 83450 [0,1,0,0,0,1|2,0,0]=4 629 B13R2.162 OC1=CN=C2C=CC=C(F)C2=C1 33309 [0,1,0,0,0,1|2,0,0]=4 630 B13R2.162 OC1=NC=C2C=CC=C(Br)C2=C1 78517 [0,1,0,0,0,1|1,0,0]=3 631 B13R2.328 BrC1=CC2=CC=CC=C2C(Br)=N1 26785 [0,1,0,0,0,1|2,0,0]=4 632 B13R2.328 BrC1=NC2=CC=CC=C2C(Br)=N1 26787 [0,1,0,0,0,1|2,0,0]=4 633 B13R2.328 CC1=CC2=CC=CC=C2C(Cl)=N1 58010 [0,1,0,0,0,1|2,0,0]=4 634 B13R2.328 CC1=NC(Cl)=CC2=CC=CC=C21 D80082 [0,1,0,0,0,1|2,0,0]=4 635 B13R2.328 CC1=NC(Cl)=NC2=CC=CC=C21 Y10444 [0,1,0,0,0,1|2,0,0]=4 636 B13R2.328 CC1=NC2=CC=CC=C2C(C)=N1 27607 [0,1,0,0,0,1|2,0,0]=4 637 B13R2.328 NC1=CC2=CC=CC=C2C(Cl)=N1 D97487 [0,1,0,0,0,1|2,0,0]=4 638 B13R2.328 NC1=NC(Cl)=CC2=CC=CC=C21 F52120 [0,1,0,0,0,1|2,0,0]=4 639 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [0,1,0,0,0,1|2,0,0]=4 640 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1O 67380 [0,1,0,0,0,1|2,0,0]=4 641 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 57054 [0,1,0,0,0,1|2,0,0]=4 642 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl W10453 [0,1,0,0,0,1|2,0,0]=4 643 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [0,1,0,0,0,1|1,0,0]=3 644 B13R2.369 OC1=CC2=CC=CC=C2C=C1Br T70735 [0,1,0,0,0,1|2,0,0]=4 645 B13R2.369 OC1=CC2=CC=CC=C2C=C1O AC2509 [0,1,0,0,0,1|2,0,0]=4 646 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl 87954 [0,1,0,0,0,1|2,0,0]=4 647 B13R2.3683 BrC1=CC=C2C=C(Br)N=CC2=C1 D79936 [0,1,0,0,0,1|2,0,0]=4 648 B13R2.3683 CC1=CC=C2C=C(O)C=CC2=C1 O11612 [0,1,0,0,0,1|2,0,0]=4 649 B13R2.3683 CC1=CC=C2N=C(Cl)N=CC2=C1 C71433 [0,1,0,0,0,1|2,0,0]=4 650 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=N1 91917 [0,1,0,0,0,1|2,0,0]=4 651 B13R2.3683 CC1=NC=C2C=C(O)C=CC2=C1 W17783 [0,1,0,0,0,1|2,0,0]=4 652 B13R2.3683 ClC1=CC=C2C=C(Br)N=CC2=C1 D74439 [0,1,0,0,0,1|2,0,0]=4 653 B13R2.3683 ClC1=NC=C2C=C(Br)C=CC2=C1 24369 [0,1,0,0,0,1|2,0,0]=4 654 B13R2.3683 ClC1=NC=C2C=C(I)C=CC2=C1 96191 [0,1,0,0,0,1|2,0,0]=4 655 B13R2.3683 FC1=CC=C2N=C(Cl)N=CC2=C1 84001 [0,1,0,0,0,1|2,0,0]=4 656 B13R2.3683 NC1=CC=C2C=C(O)C=NC2=C1 33248 [0,1,0,0,0,1|2,0,0]=4 657 B13R2.3683 NC1=CC=C2N=C(O)C=CC2=C1 CS1137 [0,1,0,0,0,1|2,0,0]=4 658 B13R2.3683 NC1=NC=C2C=C(Br)C=CC2=C1 67326 [0,1,0,0,0,1|2,0,0]=4 659 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 69009 [0,1,0,0,0,1|1,0,1]=4 660 B13R2.3683 OC1=CC=C2C=C(Cl)C=CC2=C1 N12660 [0,1,0,0,0,1|2,0,0]=4 661 B13R2.3683 OC1=CC=C2C=C(F)C=CC2=C1 N14582 [0,1,0,0,0,1|2,0,0]=4 662 B13R2.3683 OC1=CN=C2C=C(Br)C=CC2=C1 K10058 [0,1,0,0,0,1|2,0,0]=4 663 B13R2.3683 OC1=CN=C2C=C(F)C=CC2=C1 K10005 [0,1,0,0,0,1|2,0,0]=4 664 B13R2.5179 CC1=NC=C2C(Br)=CC=CC2=C1 D79826 [0,1,0,0,0,1|2,0,0]=4 665 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=N1 O10611 [0,1,0,0,0,1|2,0,0]=4 666 B13R2.5179 ClC1=NC=C2C(Br)=CC=CC2=C1 D79729 [0,1,0,0,0,1|2,0,0]=4 667 B13R2.5179 ClC1=NC=C2C(Br)=CC=CC2=N1 36463 [0,1,0,0,0,1|2,0,0]=4 668 B13R2.5179 NC1=NC=C2C(Br)=CC=CC2=C1 68517 [0,1,0,0,0,1|2,0,0]=4 669 B13R2.5179 NC1=NC=C2C(F)=CC=CC2=N1 AC5050 [0,1,0,0,0,1|2,0,0]=4 670 B13R2.5179 O=C1COC2=C(F)C=CC=C2N1 C15993 [0,1,0,0,0,1|1,0,1]=4 671 B13R2.5179 O=C1N=CC2=C(Cl)C=CC=C2N1 F15806 [0,1,0,0,0,1|1,0,1]=4 672 B13R2.5179 OC1=CC=C2C(Br)=CC=CC2=C1 N14953 [0,1,0,0,0,1|2,0,0]=4 673 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=C1 N14954 [0,1,0,0,0,1|2,0,0]=4 674 B13R2.5179 OC1=CN=C2C(Cl)=CC=CC2=C1 33276 [0,1,0,0,0,1|2,0,0]=4 675 B13R2.5179 OC1=CN=C2C(F)=CC=CC2=C1 33251 [0,1,0,0,0,1|2,0,0]=4 676 B13R2.342 CC1=C2C=CC=C(Br)C2=NC=N1 Y10093 [0,1,0,0,0,1|2,0,0]=4 677 B13R2.342 CC1=C2C=CN=C(Cl)C2=CC=C1 Y10371 [0,1,0,0,0,1|2,0,0]=4 678 B13R2.342 CC1=C2N=CC=C(O)C2=CC=C1 C74210 [0,1,0,0,0,1|2,0,0]=4 679 B13R2.342 CC1=C2N=CN=C(Cl)C2=CC=C1 31342 [0,1,0,0,0,1|2,0,0]=4 680 B13R2.342 CC1=NC=CC2=C(C)C=CC=C12 F30682 [0,1,0,0,0,1|2,0,0]=4 681 B13R2.342 ClC1=C2C=CC=C(Br)C2=CC=N1 58043 [0,1,0,0,0,1|2,0,0]=4 682 B13R2.342 ClC1=C2C=CC=C(I)C2=CC=N1 D71005 [0,1,0,0,0,1|2,0,0]=4 683 B13R2.342 ClC1=C2C=CC=C(I)C2=NC=N1 68725 [0,1,0,0,0,1|2,0,0]=4 684 B13R2.342 ClC1=C2C=NC=C(Br)C2=CC=C1 33265 [0,1,0,0,0,1|2,0,0]=4 685 B13R2.342 ClC1=NC=CC2=C(Cl)C=CC=C12 80661 [0,1,0,0,0,1|2,0,0]=4 686 B13R2.342 FC1=C2C=CN=C(Cl)C2=CC=C1 80688 [0,1,0,0,0,1|2,0,0]=4 687 B13R2.342 FC1=C2C=NC=C(Br)C2=CC=C1 69667 [0,1,0,0,0,1|2,0,0]=4 688 B13R2.342 FC1=C2N=CN=C(Cl)C2=CC=C1 68729 [0,1,0,0,0,1|2,0,0]=4 689 B13R2.342 NC1=C2C=CC=C(Br)C2=CC=N1 Y10960 [0,1,0,0,0,1|2,0,0]=4 690 B13R2.342 NC1=C2C=CC=C(Br)C2=NC=N1 81124 [0,1,0,0,0,1|2,0,0]=4 691 B13R2.342 NC1=C2C=CC=C(Cl)C2=CN=C1 33275 [0,1,0,0,0,1|2,0,0]=4 692 B13R2.342 NC1=C2C=CN=C(Cl)C2=CC=C1 CS1338 [0,1,0,0,0,1|2,0,0]=4 693 B13R2.342 NC1=C2C=NC=C(Br)C2=CC=C1 57058 [0,1,0,0,0,1|2,0,0]=4 694 B13R2.342 NC1=C2OCC[C@H](O)C2=CC=C1 F20227 [0,1,0,0,0,1|1,0,1]=4 695 B13R2.342 NC1=CC=CC2=C1OCCC2=O N13092 [0,1,0,0,0,1|1,0,1]=4 696 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 I11476 [0,1,0,0,0,1|1,0,1]=4 697 B13R2.342 O=C1CCOC2=C1C=CC=C2O N14376 [0,1,0,0,0,1|1,0,1]=4 698 B13R2.342 OC1=C2C=CC=C(Br)C2=CC=C1 Y11133 [0,1,0,0,0,1|2,0,0]=4 699 B13R2.342 OC1=C2C=CC=C(F)C2=CC=C1 W16628 [0,1,0,0,0,1|2,0,0]=4 700 B13R2.342 OC1=C2C=CC=C(F)C2=CC=N1 81016 [0,1,0,0,0,1|1,0,0]=3 701 B13R2.342 OC1=C2C=CC=C(I)C2=CC=C1 AB7355 [0,1,0,0,0,1|2,0,0]=4 702 B13R2.342 OC1=C2C=CC=C(I)C2=NC=N1 F11874 [0,1,0,0,0,1|1,0,0]=3 703 B13R2.342 OC1=C2C=CN=C(Cl)C2=NC=N1 F30981 [0,1,0,0,0,1|2,0,0]=4 704 B13R2.342 OC1=C2C=NC=C(Br)C2=CC=C1 K10065 [0,1,0,0,0,1|2,0,0]=4 705 B13R2.342 OC1=NC=CC2=C(O)C=CC=C12 AT25381 [0,1,0,0,0,1|1,0,0]=3 706 B13R2.371 BrC1=CN=C(Br)C2=CC=CC=C12 27586 [0,1,0,0,0,1|2,0,0]=4 707 B13R2.371 BrC1=NN=C(Br)C2=CC=CC=C21 C13576 [0,1,0,0,0,1|2,0,0]=4 708 B13R2.371 CC1=CN=C(Br)C2=CC=CC=C12 C72917 [0,1,0,0,0,1|2,0,0]=4 709 B13R2.371 CC1=CN=C(Cl)C2=CC=CC=C12 69155 [0,1,0,0,0,1|2,0,0]=4 710 B13R2.371 CC1=NC=C(Br)C2=CC=CC=C21 Y10583 [0,1,0,0,0,1|2,0,0]=4 711 B13R2.371 ClC1=CN=C(Br)C2=CC=CC=C12 83742 [0,1,0,0,0,1|2,0,0]=4 712 B13R2.371 FC1=CN=C(Br)C2=CC=CC=C12 83743 [0,1,0,0,0,1|2,0,0]=4 713 B13R2.371 NC1=CN=C(Cl)C2=CC=CC=C12 C72064 [0,1,0,0,0,1|2,0,0]=4 714 B13R2.371 NC1=NC=C(Cl)C2=CC=CC=C21 Y13583 [0,1,0,0,0,1|2,0,0]=4 715 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C75667 [0,1,0,0,0,1|1,0,1]=4 716 B13R2.371 O=C1NC=C(O)C2=C1C=CC=C2 54693 [0,1,0,0,0,1|1,0,1]=4 717 B13R2.371 O=C1NN=C(Br)C2=C1C=CC=C2 F52610 [0,1,0,0,0,1|1,0,1]=4 718 B13R2.371 OC1=NC=C(Br)C2=CC=CN=C21 SC3581 [0,1,0,0,0,1|2,0,0]=4 719 B13R2.1613 C#CC1=NC=CC2=CC=CC=C21 26605 [0,1,0,0,0,1|2,0,0]=4 720 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 C75091 [0,1,0,0,0,1|2,0,0]=4 721 B13R2.1613 CNC1=NC=CC2=CC=CC=C21 F51703 [0,1,0,0,0,1|2,0,0]=4 722 B13R2.1613 N#CC1=CN=NC2=CC=CC=C12 F14411 [0,1,0,0,0,1|2,0,0]=4 723 B13R2.1613 NCC1=NC=CC2=CC=CC=C21 W17268 [0,1,0,0,0,1|2,0,0]=4 724 B13R2.1613 OCC1=CC=NC2=CC=CC=C12 36193 [0,1,0,0,0,1|2,0,0]=4 725 B13R2.1613 O\N=C1/CCOC2=C1C=CC=C2 W11532 [0,1,0,0,0,1|1,0,0]=3 726 B13R2.4818 CC1=C2C(Br)=CC=CC2=CN=C1 24322 [0,1,0,0,0,1|2,0,0]=4 727 B13R2.4818 CC1=CC=CC2=C1C(=O)CCO2 I11462 [0,1,0,0,0,1|1,0,1]=4 728 B13R2.4818 CC1=CC=CC2=C1[C@@H](O)CCO2 Y13136 [0,1,0,0,0,1|1,0,1]=4 729 B13R2.4818 CC1=CN=CC2=CC=CC(N)=C12 70916 [0,1,0,0,0,1|2,0,0]=4 730 B13R2.4818 ClC1=C2C(=CC=C1)C=CN=C2Br D83120 [0,1,0,0,0,1|2,0,0]=4 731 B13R2.4818 ClC1=C2C(Br)=CN=CC2=CC=C1 33257 [0,1,0,0,0,1|2,0,0]=4 732 B13R2.4818 ClC1=NC=CC2=CC=CC(Cl)=C21 O10359 [0,1,0,0,0,1|2,0,0]=4 733 B13R2.4818 ClC1=NC=NC2=CC=CC(Cl)=C21 68719 [0,1,0,0,0,1|2,0,0]=4 734 B13R2.4818 FC1=C2C(=CC=C1)N=CN=C2Cl 68718 [0,1,0,0,0,1|2,0,0]=4 735 B13R2.4818 FC1=C2C(Br)=CN=CC2=CC=C1 D84836 [0,1,0,0,0,1|2,0,0]=4 736 B13R2.4818 NC1=C2C(Br)=CC=CC2=CC=N1 D79731 [0,1,0,0,0,1|2,0,0]=4 737 B13R2.4818 NC1=C2C(Cl)=CN=CC2=CC=C1 87026 [0,1,0,0,0,1|2,0,0]=4 738 B13R2.4818 O=C1CCOC2=CC=CC(Br)=C12 I11474 [0,1,0,0,0,1|1,0,1]=4 739 B13R2.4818 O=C1CCOC2=CC=CC(Cl)=C12 Y12176 [0,1,0,0,0,1|1,0,1]=4 740 B13R2.4818 O=C1CCOC2=CC=CC(F)=C12 29683 [0,1,0,0,0,1|1,0,1]=4 741 B13R2.4818 O=C1NN=CC2=CC=CC(Cl)=C12 F52960 [0,1,0,0,0,1|1,0,1]=4 742 B13R2.4818 OC1=C2C(Br)=CC=CC2=CC=C1 C75935 [0,1,0,0,0,1|2,0,0]=4 743 B13R2.4818 OC1=C2C(Br)=CC=CC2=NC=C1 Y11340 [0,1,0,0,0,1|2,0,0]=4 744 B13R2.4818 OC1=C2C(Cl)=CC=CC2=NC=C1 D82610 [0,1,0,0,0,1|2,0,0]=4 745 B13R2.4818 OC1=C2C(F)=CC=CC2=CC=C1 Y12618 [0,1,0,0,0,1|2,0,0]=4 746 B13R2.4818 OC1=C2C(F)=CC=CC2=CC=N1 73652 [0,1,0,0,0,1|1,0,0]=3 747 B13R2.1 BrCCC1=NOC2=C1C=CC=C2 72251 [0,2,0,0,0,0|1,0,0]=3 748 B13R2.1 COCC1=CNC2=C1C=CC=C2 A12849 [0,2,0,0,0,0|2,0,0]=4 749 B13R2.1 N#CCC1=COC2=C1C=CC=C2 AC6292 [0,2,0,0,0,0|2,0,0]=4 750 B13R2.1 NCCC1=NNC2=C1C=CC=C2 27672 [0,2,0,0,0,0|2,0,0]=4 751 B13R2.1 OCCN1N=NC2=C1C=CC=C2 AB6126 [0,2,0,0,0,0|2,0,0]=4 752 B13R2.1 O\N=C\C1=CNC2=C1C=CC=C2 V10110 [0,2,0,0,0,0|2,0,0]=4 753 B13R2.9 CC1=CC=CC2=C1NC=C2CO 71546 [0,2,0,0,0,0|2,0,0]=4 754 B13R2.9 CC1=CC=CC2=C1NN=C2C=O 23812 [0,2,0,0,0,0|1,0,1]=4 755 B13R2.9 N#CC1=NNC2=C(Br)C=CC=C12 P14113 [0,2,0,0,0,0|2,0,0]=4 756 B13R2.9 O=CC1=NNC2=C(Cl)C=CC=C12 76404 [0,2,0,0,0,0|1,0,1]=4 757 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 50300 [0,2,0,0,0,0|1,0,1]=4 758 B13R2.72 O=C(O)C1=NC=C2C=CC=CN21 P18845 [0,2,0,0,0,0|2,0,0]=4 759 B13R2.72 O=C(O)C1=NNC2=C1C=CN=C2 P11588 [0,2,0,0,0,0|2,0,0]=4 760 B13R2.72 O=C(O)C1=NNC2=C1C=NC=C2 27688 [0,2,0,0,0,0|2,0,0]=4 761 B13R2.662 COC1=NNC2=C1C=CC(Br)=C2 P13597 [0,2,0,0,0,0|1,0,0]=3 762 B13R2.662 COC1=NNC2=C1C=CC(N)=C2 38932 [0,2,0,0,0,0|1,0,0]=3 763 B13R2.662 O=CC1=NNC2=C1C=CC(Br)=C2 25390 [0,2,0,0,0,0|1,0,1]=4 764 B13R2.662 O=CC1=NNC2=C1C=CC(Cl)=C2 76355 [0,2,0,0,0,0|1,0,1]=4 765 B13R2.662 OCC1=COC2=C1C=CC(I)=C2 62928 [0,2,0,0,0,0|1,0,0]=3 766 B13R2.2091 COC1=NNC2=CC=CC(Br)=C21 P11590 [0,2,0,0,0,0|1,0,0]=3 767 B13R2.2091 N#CC1=NNC2=CC=CC(Br)=C21 P11206 [0,2,0,0,0,0|2,0,0]=4 768 B13R2.2136 BrCC1=COC2=C1C=C(Br)C=C2 21291 [0,2,0,0,0,0|2,0,0]=4 769 B13R2.2136 CC1=CC2=C(C=C1)CC\C2=N\O W12357 [0,2,0,0,0,0|2,0,0]=4 770 B13R2.2136 CC1=CC2=C(C=C1)NC=C2CO 64369 [0,2,0,0,0,0|2,0,0]=4 771 B13R2.2136 COC1=NNC2=C1C=C(Br)C=C2 27416 [0,2,0,0,0,0|1,0,0]=3 772 B13R2.2136 COC1=NNC2=C1C=C(N)C=C2 P13054 [0,2,0,0,0,0|1,0,0]=3 773 B13R2.2136 ClCC1=NNC2=C1C=C(Cl)C=C2 F30642 [0,2,0,0,0,0|2,0,0]=4 774 B13R2.2136 NCC1=NNC2=C1C=C(Cl)C=C2 P20990 [0,2,0,0,0,0|2,0,0]=4 775 B13R2.2136 O=CC1=COC2=C1C=C(F)C=C2 P16440 [0,2,0,0,0,0|1,0,1]=4 776 B13R2.2136 O=CC1=NNC2=C1C=C(F)C=C2 26367 [0,2,0,0,0,0|1,0,1]=4 777 B13R2.2136 OCC1=NNC2=C1C=C(F)C=C2 F30340 [0,2,0,0,0,0|1,0,0]=3 778 B13R2.2931 CN1C=C(CO)C2=C1C=CC=C2 71232 [0,2,0,0,0,0|2,0,0]=4 779 B13R2.2931 CN1N=C(C#N)C2=C1C=CC=C2 P10879 [0,2,0,0,0,0|2,0,0]=4 780 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)O1 F16145 [0,2,0,0,0,0|2,0,0]=4 781 B13R2.45 O=CC1=C(Cl)C2=C(C=CC=C2)O1 W18830 [0,2,0,0,0,0|2,0,0]=4 782 B13R2.669 C#CC1=CC2=C(C=C1)NN=C2C 26884 [0,2,0,0,0,0|2,0,0]=4 783 B13R2.669 CC1=NNC2=C1C=C(C#N)C=C2 P11211 [0,2,0,0,0,0|2,0,0]=4 784 B13R2.669 COC1=CC2=C(C=C1)NN=C2Br 83261 [0,2,0,0,0,0|2,0,0]=4 785 B13R2.669 COC1=CC2=C(C=C1)OCC2=O P16854 [0,2,0,0,0,0|1,0,1]=4 786 B13R2.669 N#CC1=CC2=C(C=C1)OCC2=O P16855 [0,2,0,0,0,0|1,0,1]=4 787 B13R2.669 O=CC1=CC2=C(C=C1)NN=C2Cl 24271 [0,2,0,0,0,0|2,0,0]=4 788 B13R2.669 O=CC1=CC2=C(C=C1)NN=C2I P10936 [0,2,0,0,0,0|2,0,0]=4 789 B13R2.3742 CC1=NNC2=C(C)C=C(Br)C=C12 68320 [0,2,0,0,0,0|2,0,0]=4 790 B13R2.3742 NC1=NNC2=C(I)C=C(Br)C=C12 93518 [0,2,0,0,0,0|2,0,0]=4 791 B13R2.3790 FC1=C2C(=CC=C1Br)NN=C2I Y10385 [0,2,0,0,0,0|2,0,0]=4 792 B13R2.5187 CC1=CC2=C(C=C1)C(I)=NN2C 78659 [0,2,0,0,0,0|2,0,0]=4 793 B13R2.5187 CC1=NN(C)C2=C1C=C(Br)C=C2 37449 [0,2,0,0,0,0|2,0,0]=4 794 B13R2.5187 CC1=NN(C)C2=C1C=CC(Br)=C2 37453 [0,2,0,0,0,0|2,0,0]=4 795 B13R2.5187 CC1=NN(C)C2=C1C=CC(N)=C2 39185 [0,2,0,0,0,0|2,0,0]=4 796 B13R2.5187 CN1N=C(Br)C2=C1C=C(N)C=C2 24257 [0,2,0,0,0,0|2,0,0]=4 797 B13R2.5187 CN1N=C(Br)C2=C1C=CC(Cl)=C2 P19916 [0,2,0,0,0,0|2,0,0]=4 798 B13R2.5187 CN1N=C(I)C2=C1C=C(F)C=C2 87980 [0,2,0,0,0,0|2,0,0]=4 799 B13R2.5187 CN1N=C(I)C2=C1C=CC(Br)=C2 W19132 [0,2,0,0,0,0|2,0,0]=4 800 B13R2.5187 CN1N=C(N)C2=C1C=CC(Cl)=C2 89913 [0,2,0,0,0,0|2,0,0]=4 801 B13R2.11634 CC1=CC2=C(C=C1Br)C(I)=NN2 P14754 [0,2,0,0,0,0|2,0,0]=4 802 B13R2.11634 CC1=CC2=C(C=C1N)C(Br)=NN2 D82718 [0,2,0,0,0,0|2,0,0]=4 803 B13R2.11634 CC1=NNC2=CC(F)=C(Br)C=C21 38159 [0,2,0,0,0,0|2,0,0]=4 804 B13R2.11634 ClC1=CC2=C(C=C1Cl)C(I)=NN2 88002 [0,2,0,0,0,0|2,0,0]=4 805 B13R2.11634 FC1=C(Br)C=C2NN=C(Cl)C2=C1 78810 [0,2,0,0,0,0|2,0,0]=4 806 B13R2.11634 FC1=CC2=C(C=C1Br)C(I)=NN2 C75975 [0,2,0,0,0,0|2,0,0]=4 807 B13R2.11634 FC1=CC2=C(C=C1Br)NN=C2I 78809 [0,2,0,0,0,0|2,0,0]=4 808 B13R2.11634 O=C1COC2=CC(Cl)=C(Cl)C=C12 D97045 [0,2,0,0,0,0|1,0,1]=4 809 B13R2.573 CC1=NNC2=C(C#N)C=CC=C12 P17562 [0,2,0,0,0,0|2,0,0]=4 810 B13R2.573 COC1=CC=CC2=C1NN=C2Cl D82762 [0,2,0,0,0,0|2,0,0]=4 811 B13R2.573 COC1=CC=CC2=C1NN=C2I Y10384 [0,2,0,0,0,0|2,0,0]=4 812 B13R2.573 COC1=CC=CC2=C1OCC2=O F13956 [0,2,0,0,0,0|1,0,1]=4 813 B13R2.573 N#CC1=C2NN=C(N)C2=CC=C1 F31144 [0,2,0,0,0,0|2,0,0]=4 814 B13R2.4857 CC1=NN(C)C2=C(Br)C=CC=C12 37454 [0,2,0,0,0,0|2,0,0]=4 815 B13R2.4857 CN1N=C(Br)C2=C(N)C=CC=C21 24255 [0,2,0,0,0,0|2,0,0]=4 816 B13R2.4857 CN1N=C(I)C2=C(F)C=CC=C21 78657 [0,2,0,0,0,0|2,0,0]=4 817 B13R2.5180 CC1=C(Br)C=CC2=C1NN=C2I P20572 [0,2,0,0,0,0|2,0,0]=4 818 B13R2.5180 O=C1COC2=C1C=CC(O)=C2O D83569 [0,2,0,0,0,0|1,0,1]=4 819 B13R2.582 COC1=C2C(=CC=C1)NN=C2Br I11281 [0,2,0,0,0,0|2,0,0]=4 820 B13R2.582 COC1=C2C(=O)COC2=CC=C1 AC6681 [0,2,0,0,0,0|1,0,1]=4 821 B13R2.582 N#CC1=C2C(=CC=C1)NN=C2Br F50947 [0,2,0,0,0,0|2,0,0]=4 822 B13R2.11642 CC1=NNC2=CC(N)=CC(F)=C21 38134 [0,2,0,0,0,0|2,0,0]=4 823 B13R2.11642 FC1=CC(F)=C2C(=C1)NN=C2I 88026 [0,2,0,0,0,0|2,0,0]=4 824 B13R2.11642 NC1=NNC2=CC(Br)=CC(Br)=C21 F17980 [0,2,0,0,0,0|2,0,0]=4 825 B13R2.11642 NC1=NNC2=CC(Br)=CC(F)=C21 51343 [0,2,0,0,0,0|2,0,0]=4 826 B13R2.11642 O=C1COC2=CC(O)=CC(O)=C12 W18360 [0,2,0,0,0,0|1,0,1]=4 827 B13R2.11642 OC1=NNC2=CC(F)=CC(Br)=C21 I11190 [0,2,0,0,0,0|1,0,0]=3 828 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 88998 [0,2,0,0,0,0|1,0,1]=4 829 B13R2.2130 COC1=CC2=C(C=C1)C(C)=CO2 D82922 [0,2,0,0,0,0|2,0,0]=4 830 B13R2.2130 COC1=CC2=C(C=C1)C(C)=NO2 D78624 [0,2,0,0,0,0|1,0,0]=3 831 B13R2.2130 COC1=CC2=C(C=C1)C(I)=NN2 26188 [0,2,0,0,0,0|2,0,0]=4 832 B13R2.2130 N#CC1=CC2=C(C=C1)C(Br)=NN2 I11116 [0,2,0,0,0,0|2,0,0]=4 833 B13R2.2130 N#CC1=CC2=C(C=C1)C(N)=NN2 P12458 [0,2,0,0,0,0|2,0,0]=4 834 B13R2.2130 N#CC1=CC2=C(C=C1)C(N)=NO2 27590 [0,2,0,0,0,0|1,0,0]=3 835 B13R2.2130 O=CC1=CC2=C(C=C1)C(I)=NN2 P10937 [0,2,0,0,0,0|2,0,0]=4 836 B13R2.12159 O=S1(=O)N=C(Cl)C2=C1C=CC=C2 AC1765 [0,2,0,0,0,0|1,1,0]=4 837 B11R2.20 C1=CC2=C(C=C1)OCC=C2 N13096 [0,0,1,1,0,0|2,0,0]=4 838 B11R2.20 C1=CC=C2N=NC=CC2=C1 76492 [0,0,1,1,0,0|2,0,0]=4 839 B11R2.20 C1=CC=C2N=NC=CC2=C1 Y10640 [0,0,1,1,0,0|2,0,0]=4 840 B9R1.11 N\C(=N/O)C1=CSC=C1 71291 [0,0,1,0,1,0|2,0,0]=4 841 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,0,1,0,1,0|2,0,0]=4 842 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,0,0,0,0,2|1,0,1]=4 843 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 71397 [0,0,0,0,0,2|0,0,2]=4 844 B13R2.5252 O[C@H]1CCCOC2=C1C=CC=C2 A12238 [0,0,0,0,0,2|1,0,1]=4