0 B11R2.1 BrC1=C2C=CC=CN2C=N1 C76930 [0,0,0,0,0,0|3,0,1]=4 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|4,0,0]=4 3 B11R2.1 BrC1=CSC2=C1C=NC=C2 22943 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 BrC1=CSC2=CC=CN=C12 P11256 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.1 BrC1=NN=C2C=CC=CN12 27222 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.1 BrC1=NNC2=C1C=CC=N2 FD7340 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.1 BrC1=NSC2=C1C=CC=C2 D84733 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,0,0,0,0,0|2,0,0]=2 9 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,0,0,0,0,0|2,0,0]=2 10 B11R2.1 CC1=CNC2=C1C=CN=C2 P11265 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.1 CC1=CNC2=C1C=NC=C2 P11266 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.1 CC1=CNC2=CC=CN=C12 F13594 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.1 CC1=NN=C2C=CC=CN12 26659 [0,0,0,0,0,0|4,0,0]=4 14 B11R2.1 CC1=NNC2=C1C=CN=C2 CL4527 [0,0,0,0,0,0|4,0,0]=4 15 B11R2.1 CC1=NNC2=C1C=NC=C2 86905 [0,0,0,0,0,0|4,0,0]=4 16 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [0,0,0,0,0,0|3,0,0]=3 17 B11R2.1 CN1N=CC2=C1C=CC=C2 P10138 [0,0,0,0,0,0|3,0,1]=4 18 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,0,0,0|2,0,1]=3 19 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [0,0,0,0,0,0|3,0,1]=4 20 B11R2.1 ClC1=C2C=CC=CN2N=C1 W16953 [0,0,0,0,0,0|4,0,0]=4 21 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [0,0,0,0,0,0|3,0,0]=3 22 B11R2.1 ClC1=NC=C2C=CC=CN21 D80267 [0,0,0,0,0,0|3,0,1]=4 23 B11R2.1 ClC1=NNC2=C1C=CC=N2 P10351 [0,0,0,0,0,0|4,0,0]=4 24 B11R2.1 ClC1=NNC2=C1C=CN=C2 72209 [0,0,0,0,0,0|4,0,0]=4 25 B11R2.1 ClC1=NOC2=CC=CN=C21 C73392 [0,0,0,0,0,0|4,0,0]=4 26 B11R2.1 FC1=CNC2=C1C=CC=N2 P15371 [0,0,0,0,0,0|4,0,0]=4 27 B11R2.1 FC1=NNC2=C1C=CC=C2 F30837 [0,0,0,0,0,0|3,0,0]=3 28 B11R2.1 IC1=C2C=CC=CN2N=C1 70375 [0,0,0,0,0,0|4,0,0]=4 29 B11R2.1 IC1=CNC2=C1C=CN=C2 36244 [0,0,0,0,0,0|4,0,0]=4 30 B11R2.1 IC1=NC=C2C=CC=CN21 AC4398 [0,0,0,0,0,0|3,0,1]=4 31 B11R2.1 IC1=NNC2=C1C=CN=C2 22942 [0,0,0,0,0,0|4,0,0]=4 32 B11R2.1 IC1=NNC2=C1C=NC=C2 P13274 [0,0,0,0,0,0|4,0,0]=4 33 B11R2.1 IC1=NNC2=CC=CN=C21 37475 [0,0,0,0,0,0|4,0,0]=4 34 B11R2.1 NC1=C2C=CC=CN2N=C1 C14671 [0,0,0,0,0,0|4,0,0]=4 35 B11R2.1 NC1=C2C=CC=CN2N=C1 E70398 [0,0,0,0,0,0|4,0,0]=4 36 B11R2.1 NC1=C2N=CC=CC2=NS1 F14138 [0,0,0,0,0,0|3,1,0]=4 37 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [0,0,0,0,0,0|3,0,0]=3 38 B11R2.1 NC1=CNC2=C1C=CN=C2 BL001287 [0,0,0,0,0,0|4,0,0]=4 39 B11R2.1 NC1=CNC2=NC=CC=C12 78898 [0,0,0,0,0,0|4,0,0]=4 40 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [0,0,0,0,0,0|3,0,0]=3 41 B11R2.1 NC1=CSC2=C1C=NC=C2 Y14608 [0,0,0,0,0,0|4,0,0]=4 42 B11R2.1 NC1=CSC2=C1N=CC=C2 D79718 [0,0,0,0,0,0|4,0,0]=4 43 B11R2.1 NC1=CSC2=NC=CC=C12 H12065 [0,0,0,0,0,0|4,0,0]=4 44 B11R2.1 NC1=NC=C2C=CC=CN21 AC2334 [0,0,0,0,0,0|3,0,1]=4 45 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,0,0,0,0,0|2,0,0]=2 46 B11R2.1 NC1=NNC2=C1C=CN=C2 BL009413 [0,0,0,0,0,0|4,0,0]=4 47 B11R2.1 NC1=NNC2=C1C=NC=C2 BL009412 [0,0,0,0,0,0|4,0,0]=4 48 B11R2.1 NC1=NOC2=C1C=CN=C2 C71454 [0,0,0,0,0,0|4,0,0]=4 49 B11R2.1 NC1=NOC2=C1C=NC=C2 A50063 [0,0,0,0,0,0|4,0,0]=4 50 B11R2.1 NC1=NSC2=NC=CC=C12 27745 [0,0,0,0,0,0|4,0,0]=4 51 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [0,0,0,0,0,0|3,0,0]=3 52 B11R2.1 NN1N=CC2=C1C=CC=C2 S11721 [0,0,0,0,0,0|3,0,1]=4 53 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,0,0,0,0,0|3,0,1]=4 54 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,0,0,0,0,0|3,0,1]=4 55 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,0,0,0,0,0|3,0,1]=4 56 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [0,0,0,0,0,0|1,0,1]=2 57 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,0,0,0,0,0|2,0,0]=2 58 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,0,0,0,0,0|2,0,0]=2 59 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [0,0,0,0,0,0|3,0,0]=3 60 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [0,0,0,0,0,0|3,0,0]=3 61 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,0,0,0,0,0|2,0,0]=2 62 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,0,0,0,0,0|2,0,0]=2 63 B11R2.1 O=C1NCC2=C1C=CN=C2 F19961 [0,0,0,0,0,0|2,0,0]=2 64 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [0,0,0,0,0,0|2,0,0]=2 65 B11R2.1 O=C1NCC2=C1CC=CC2 P15954 [0,0,0,0,0,0|1,0,2]=3 66 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,0,0,0,0,0|2,0,0]=2 67 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,0,0,0,0,0|3,0,0]=3 68 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,0,0,0,0,0|3,0,0]=3 69 B11R2.1 O=C1NNC2=C1C=CC=N2 36117 [0,0,0,0,0,0|3,0,0]=3 70 B11R2.1 O=C1NNC2=C1C=CN=C2 F50508 [0,0,0,0,0,0|3,0,0]=3 71 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [0,0,0,0,0,0|3,0,0]=3 72 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,0,0,0,0,0|2,0,1]=3 73 B11R2.1 OC1=NOC2=NC=CC=C12 A51240 [0,0,0,0,0,0|3,0,1]=4 74 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,0,0,0,0,0|1,0,2]=3 75 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,0,0,0,0,0|2,0,2]=4 76 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,0,0,0,0,0|2,0,2]=4 77 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,0,0,0,0,0|2,0,2]=4 78 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,0,0,0,0,0|2,0,2]=4 79 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,0,0,0,0,0|2,0,2]=4 80 B11R2.1 S=C1NN=C2C=CC=CN12 73777 [0,0,0,0,0,0|3,1,0]=4 81 B10R2.7 C1=CC2=C(C=C1)SN=N2 C74419 [1,0,0,0,0,0|3,0,0]=4 82 B10R2.7 C1=CC2=C(C=CO2)N=C1 BL002594 [1,0,0,0,0,0|3,0,0]=4 83 B10R2.7 C1=CC2=C(C=N1)C=NN2 CL3489 [1,0,0,0,0,0|3,0,0]=4 84 B10R2.7 C1=CC2=C(C=N1)CCN2 86683 [1,0,0,0,0,0|3,0,0]=4 85 B10R2.7 C1=CC2=C(C=N1)CNC2 83142 [1,0,0,0,0,0|2,0,1]=4 86 B10R2.7 C1=CC2=C(C=N1)CNC2 SC3491 [1,0,0,0,0,0|2,0,1]=4 87 B10R2.7 C1=CC2=C(C=N1)NCC2 A10607 [1,0,0,0,0,0|3,0,0]=4 88 B10R2.7 C1=CC2=C(C=N1)NCC2 C73056 [1,0,0,0,0,0|3,0,0]=4 89 B10R2.7 C1=CC2=CC=CN2C=C1 D94752 [1,0,0,0,0,0|2,0,1]=4 90 B10R2.7 C1=CC2=CC=NN2C=C1 21533 [1,0,0,0,0,0|3,0,0]=4 91 B10R2.7 C1=CC2=CON=C2C=C1 T70698 [1,0,0,0,0,0|1,0,0]=2 92 B10R2.7 C1=CC2=N[Se]N=C2C=C1 T70699 [1,0,0,0,0,0|2,1,0]=4 93 B10R2.7 C1=CN=C2C=NNC2=C1 20297 [1,0,0,0,0,0|3,0,0]=4 94 B10R2.7 C1=CN=C2CCNC2=C1 70854 [1,0,0,0,0,0|3,0,0]=4 95 B10R2.7 C1=CN=C2CNCC2=C1 83068 [1,0,0,0,0,0|2,0,1]=4 96 B10R2.7 C1=CN=C2CNCC2=C1 SC3341 [1,0,0,0,0,0|2,0,1]=4 97 B10R2.7 C1=CN=C2OC=CC2=C1 N13064 [1,0,0,0,0,0|3,0,0]=4 98 B12R2.1 BrCC1=NOC2=C1C=CC=C2 53608 [0,1,0,0,0,0|3,0,0]=4 99 B12R2.1 C#CC1=CNC2=C1C=CC=C2 30568 [0,1,0,0,0,0|3,0,0]=4 100 B12R2.1 CCC1=NNC2=C1C=CC=C2 C10488 [0,1,0,0,0,0|3,0,0]=4 101 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [0,1,0,0,0,0|0,0,2]=3 102 B12R2.1 N#CC1=COC2=C1C=CC=C2 N12998 [0,1,0,0,0,0|3,0,0]=4 103 B12R2.1 NCC1=CSC2=C1C=CC=C2 AC2201 [0,1,0,0,0,0|3,0,0]=4 104 B12R2.1 NCC1=CSC2=C1C=CC=C2 D94984 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.1 NCC1=NNC2=C1C=CC=C2 26320 [0,1,0,0,0,0|3,0,0]=4 106 B12R2.1 NCC1=NNC2=C1C=CC=C2 C71652 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.1 O=CC1=CNC2=C1C=NC=C2 25652 [0,1,0,0,0,0|3,0,0]=4 108 B12R2.1 O=CC1=CNC2=CC=CN=C12 26610 [0,1,0,0,0,0|3,0,0]=4 109 B12R2.1 O=CC1=COC2=C1C=CC=C2 29951 [0,1,0,0,0,0|2,0,0]=3 110 B12R2.1 O=CC1=NC=C2C=CC=CN21 F14131 [0,1,0,0,0,0|2,0,1]=4 111 B12R2.1 O=CC1=NNC2=C1C=CC=N2 P11060 [0,1,0,0,0,0|3,0,0]=4 112 B12R2.1 OCC1=NOC2=C1C=CC=C2 62838 [0,1,0,0,0,0|2,0,1]=4 113 B12R2.18 CC1=C(Br)C2=C(C=CC=C2)O1 54481 [0,1,0,0,0,0|3,0,0]=4 114 B12R2.18 CC1=C2C=CC=CC2=NN1C D83537 [0,1,0,0,0,0|3,0,0]=4 115 B12R2.18 CN1N=C2C=CC=CC2=C1Br P13368 [0,1,0,0,0,0|3,0,0]=4 116 B12R2.18 CN1N=C2C=CC=CC2=C1N D83793 [0,1,0,0,0,0|3,0,0]=4 117 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O C10104 [0,1,0,0,0,0|2,0,1]=4 118 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O 27540 [0,1,0,0,0,0|3,0,0]=4 119 B12R2.132 BrC1=CC2=C(C=C1)NC=C2I F15896 [0,1,0,0,0,0|3,0,0]=4 120 B12R2.132 CC1=C2C=C(Cl)C=CC2=NO1 C75084 [0,1,0,0,0,0|2,0,0]=3 121 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10991 [0,1,0,0,0,0|2,0,1]=4 122 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N Y12626 [0,1,0,0,0,0|2,0,1]=4 123 B12R2.132 CC1=CC2=C(C=C1)OCC2=O N12808 [0,1,0,0,0,0|2,0,0]=3 124 B12R2.132 CC1=CC2=C(C=C1)ONC2=O C76060 [0,1,0,0,0,0|2,0,0]=3 125 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 87157 [0,1,0,0,0,0|3,0,0]=4 126 B12R2.132 CC1=NNC2=C1C=C(F)C=C2 F17785 [0,1,0,0,0,0|3,0,0]=4 127 B12R2.132 CC1=NOC2=C1C=C(N)C=C2 27530 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.132 ClC1=CC2=C(C=C1)NC=C2Br 52613 [0,1,0,0,0,0|3,0,0]=4 129 B12R2.132 ClC1=CC2=C(C=C1)NN=C2Br P17828 [0,1,0,0,0,0|3,0,0]=4 130 B12R2.132 ClC1=CC2=C(C=C1)ON=C2Cl C73123 [0,1,0,0,0,0|3,0,0]=4 131 B12R2.132 ClC1=CC2=C(C=C1)SC=C2Br D93451 [0,1,0,0,0,0|3,0,0]=4 132 B12R2.132 ClC1=NOC2=C1C=C(Br)C=C2 F19599 [0,1,0,0,0,0|3,0,0]=4 133 B12R2.132 FC1=CC2=C(C=C1)ON=C2Cl O10983 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.132 NC1=CC2=C(C=C1)COB2O 70440 [0,1,0,0,0,0|1,0,1]=3 135 B12R2.132 NC1=CC2=C(C=C1)NN=C2Br 26595 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.132 NC1=CC2=C(C=C1)NN=C2Cl P10513 [0,1,0,0,0,0|3,0,0]=4 137 B12R2.132 NC1=CC2=C(C=C1)ONC2=O C76344 [0,1,0,0,0,0|2,0,0]=3 138 B12R2.132 NC1=CC2=C(C=C1)SC=C2Br 96545 [0,1,0,0,0,0|3,0,0]=4 139 B12R2.132 NC1=NNC2=C1C=C(Cl)C=C2 76256 [0,1,0,0,0,0|3,0,0]=4 140 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 71649 [0,1,0,0,0,0|2,0,1]=4 141 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 N10744 [0,1,0,0,0,0|2,0,1]=4 142 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10462 [0,1,0,0,0,0|2,0,1]=4 143 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 P10463 [0,1,0,0,0,0|2,0,1]=4 144 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y11201 [0,1,0,0,0,0|2,0,1]=4 145 B12R2.132 N[C@H]1CCC2=C1C=C(Br)C=C2 Y12017 [0,1,0,0,0,0|2,0,1]=4 146 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 N13065 [0,1,0,0,0,0|2,0,1]=4 147 B12R2.132 N[C@H]1CCC2=C1C=C(Cl)C=C2 Y11815 [0,1,0,0,0,0|2,0,1]=4 148 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 F16923 [0,1,0,0,0,0|2,0,1]=4 149 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 I11030 [0,1,0,0,0,0|2,0,1]=4 150 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10106 [0,1,0,0,0,0|2,0,1]=4 151 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 Y10313 [0,1,0,0,0,0|2,0,1]=4 152 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 P15824 [0,1,0,0,0,0|2,0,1]=4 153 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 Y10912 [0,1,0,0,0,0|2,0,1]=4 154 B12R2.132 O=C1COC2=C1C=C(Br)C=C2 24739 [0,1,0,0,0,0|2,0,0]=3 155 B12R2.132 O=C1COC2=C1C=C(O)C=C2 P16901 [0,1,0,0,0,0|2,0,0]=3 156 B12R2.132 O=C1CSC2=C1C=C(Br)C=C2 F11126 [0,1,0,0,0,0|2,0,0]=3 157 B12R2.132 O=C1NCC2=C1C=C(F)C=C2 84532 [0,1,0,0,0,0|1,0,0]=2 158 B12R2.132 O=C1NCC2=C1C=C(I)C=C2 87915 [0,1,0,0,0,0|1,0,0]=2 159 B12R2.132 O=C1NCC2=C1C=C(O)C=C2 82363 [0,1,0,0,0,0|1,0,0]=2 160 B12R2.132 O=C1NCC2=NC=C(Br)C=C12 O10970 [0,1,0,0,0,0|2,0,0]=3 161 B12R2.132 O=C1NN=C2C=CC(Br)=CN12 W12471 [0,1,0,0,0,0|3,0,0]=4 162 B12R2.132 O=C1NOC2=C1C=C(Br)C=C2 27739 [0,1,0,0,0,0|2,0,0]=3 163 B12R2.132 O=C1NSC2=C1C=C(Br)C=C2 F30839 [0,1,0,0,0,0|2,0,0]=3 164 B12R2.132 O=C1OCC2=C1C=C(Cl)C=C2 76358 [0,1,0,0,0,0|0,0,0]=1 165 B12R2.132 O=C1OCC2=C1C=C(F)C=C2 Y10487 [0,1,0,0,0,0|0,0,0]=1 166 B12R2.132 O=C1OCC2=C1C=C(I)C=C2 82366 [0,1,0,0,0,0|0,0,0]=1 167 B12R2.132 OB1OCC2=C1C=C(F)C=C2 W19032 [0,1,0,0,0,0|1,0,1]=3 168 B12R2.132 OB1OCC2=C1C=C(O)C=C2 F12770 [0,1,0,0,0,0|1,0,1]=3 169 B12R2.132 OC1=CC2=C(C=C1)NN=C2Cl AC1756 [0,1,0,0,0,0|3,0,0]=4 170 B12R2.132 OC1=NNC2=C1C=C(Br)C=C2 67466 [0,1,0,0,0,0|2,0,1]=4 171 B12R2.132 OC1=NNC2=C1C=C(I)C=C2 83259 [0,1,0,0,0,0|2,0,1]=4 172 B12R2.132 O[C@H]1CCC2=C1C=C(Br)C=C2 N10435 [0,1,0,0,0,0|1,0,2]=4 173 B12R2.132 O[C@H]1CCC2=C1C=C(Cl)C=C2 53581 [0,1,0,0,0,0|1,0,2]=4 174 B12R2.132 O[C@H]1CCC2=C1C=C(F)C=C2 N13071 [0,1,0,0,0,0|1,0,2]=4 175 B12R2.196 BrC1=CC=CC2=C1NN=C2I P10628 [0,1,0,0,0,0|3,0,0]=4 176 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y11246 [0,1,0,0,0,0|2,0,1]=4 177 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2N Y13340 [0,1,0,0,0,0|2,0,1]=4 178 B12R2.196 CC1=CC=CC2=C1CC[C@@H]2O Y10331 [0,1,0,0,0,0|1,0,2]=4 179 B12R2.196 CC1=CC=CC2=C1CNC2=O 80956 [0,1,0,0,0,0|1,0,0]=2 180 B12R2.196 CC1=CC=CC2=C1NN=C2I 75854 [0,1,0,0,0,0|3,0,0]=4 181 B12R2.196 CC1=NNC2=C(Br)C=CC=C12 CL3496 [0,1,0,0,0,0|3,0,0]=4 182 B12R2.196 CC1=NOC2=C(Br)C=CC=C12 AC8269 [0,1,0,0,0,0|3,0,0]=4 183 B12R2.196 ClC1=CC=CC2=C1NN=C2I A12918 [0,1,0,0,0,0|3,0,0]=4 184 B12R2.196 ClC1=NNC2=C(Br)C=CC=C12 P10394 [0,1,0,0,0,0|3,0,0]=4 185 B12R2.196 ClC1=NOC2=C(Br)C=CC=C12 D75918 [0,1,0,0,0,0|3,0,0]=4 186 B12R2.196 FC1=CC=CC2=C1NN=C2I P10935 [0,1,0,0,0,0|3,0,0]=4 187 B12R2.196 NC1=CC=CC2=C1COB2O D78898 [0,1,0,0,0,0|1,0,1]=3 188 B12R2.196 NC1=CC=CC2=C1NN=C2Cl P11178 [0,1,0,0,0,0|3,0,0]=4 189 B12R2.196 NC1=CC=CC2=C1NN=C2I 37623 [0,1,0,0,0,0|3,0,0]=4 190 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 F16950 [0,1,0,0,0,0|2,0,1]=4 191 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10898 [0,1,0,0,0,0|2,0,1]=4 192 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I10901 [0,1,0,0,0,0|2,0,1]=4 193 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 I11061 [0,1,0,0,0,0|2,0,1]=4 194 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10107 [0,1,0,0,0,0|2,0,1]=4 195 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 Y10458 [0,1,0,0,0,0|2,0,1]=4 196 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N12980 [0,1,0,0,0,0|2,0,1]=4 197 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y11443 [0,1,0,0,0,0|2,0,1]=4 198 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 20085 [0,1,0,0,0,0|2,0,1]=4 199 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 I10598 [0,1,0,0,0,0|2,0,1]=4 200 B12R2.196 N[C@H]1CCC2=C(F)C=CC=C21 Y10916 [0,1,0,0,0,0|2,0,1]=4 201 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 D80589 [0,1,0,0,0,0|2,0,1]=4 202 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N11146 [0,1,0,0,0,0|2,0,1]=4 203 B12R2.196 N[C@H]1CCC2=C(O)C=CC=C21 N12632 [0,1,0,0,0,0|2,0,1]=4 204 B12R2.196 O=C1COC2=C(Cl)C=CC=C12 AT10339 [0,1,0,0,0,0|2,0,0]=3 205 B12R2.196 O=C1NCC2=C(Cl)C=CC=C12 F17918 [0,1,0,0,0,0|1,0,0]=2 206 B12R2.196 O=C1NCC2=C(F)C=CC=C12 94869 [0,1,0,0,0,0|1,0,0]=2 207 B12R2.196 O=C1NCC2=C1C=CC=C2O 52838 [0,1,0,0,0,0|1,0,0]=2 208 B12R2.196 O=C1NN=C2C(Br)=CC=CN12 C91523 [0,1,0,0,0,0|3,0,0]=4 209 B12R2.196 O=C1NN=C2C(Cl)=CC=CN12 D74514 [0,1,0,0,0,0|3,0,0]=4 210 B12R2.196 O=C1OCC2=C(F)C=CC=C12 89370 [0,1,0,0,0,0|0,0,0]=1 211 B12R2.196 O=C1OCC2=C1C=CC=C2O 76130 [0,1,0,0,0,0|0,0,0]=1 212 B12R2.196 OB1OCC2=C(F)C=CC=C12 N16983 [0,1,0,0,0,0|1,0,1]=3 213 B12R2.196 O[C@H]1CCC2=C(Cl)C=CC=C21 N12836 [0,1,0,0,0,0|1,0,2]=4 214 B12R2.196 O[C@H]1CCC2=C(F)C=CC=C21 N13047 [0,1,0,0,0,0|1,0,2]=4 215 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N F16924 [0,1,0,0,0,0|2,0,1]=4 216 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2N N11228 [0,1,0,0,0,0|2,0,1]=4 217 B12R2.203 CC1=C2C(=CC=C1)CC[C@@H]2O 72767 [0,1,0,0,0,0|1,0,2]=4 218 B12R2.203 CC1=C2C(=CC=C1)NN=C2I W10500 [0,1,0,0,0,0|3,0,0]=4 219 B12R2.203 CC1=CNC2=CC=CC(O)=C12 71522 [0,1,0,0,0,0|3,0,0]=4 220 B12R2.203 CC1=NNC2=CC=CC(Cl)=C21 F18361 [0,1,0,0,0,0|3,0,0]=4 221 B12R2.203 CC1=NOC2=CC=CC(Br)=C21 D83934 [0,1,0,0,0,0|3,0,0]=4 222 B12R2.203 ClC1=C2C(=CC=C1)NN=C2Br 78676 [0,1,0,0,0,0|3,0,0]=4 223 B12R2.203 ClC1=C2C(=CC=C1)NN=C2I O11212 [0,1,0,0,0,0|3,0,0]=4 224 B12R2.203 FC1=C2C(=CC=C1)NN=C2Br I11311 [0,1,0,0,0,0|3,0,0]=4 225 B12R2.203 NC1=C2C(=CC=C1)NN=C2Br F11389 [0,1,0,0,0,0|3,0,0]=4 226 B12R2.203 NC1=C2C(=O)CCC2=CC=C1 79955 [0,1,0,0,0,0|1,0,0]=2 227 B12R2.203 NC1=C2C(=O)NCC2=CC=C1 P10726 [0,1,0,0,0,0|1,0,0]=2 228 B12R2.203 NC1=C2C(=O)OCC2=CC=C1 F16457 [0,1,0,0,0,0|0,0,0]=1 229 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 N11312 [0,1,0,0,0,0|2,0,1]=4 230 B12R2.203 N[C@H]1CCC2=CC=CC(Br)=C21 Y11358 [0,1,0,0,0,0|2,0,1]=4 231 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y10796 [0,1,0,0,0,0|2,0,1]=4 232 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11442 [0,1,0,0,0,0|2,0,1]=4 233 B12R2.203 N[C@H]1CCC2=CC=CC(F)=C21 Y11534 [0,1,0,0,0,0|2,0,1]=4 234 B12R2.203 N[C@H]1CCC2=CC=CC(O)=C21 F31358 [0,1,0,0,0,0|2,0,1]=4 235 B12R2.203 O=C1CCC2=CC=CC(Cl)=C12 58274 [0,1,0,0,0,0|1,0,0]=2 236 B12R2.203 O=C1COC2=CC=CC(Br)=C12 F13692 [0,1,0,0,0,0|2,0,0]=3 237 B12R2.203 O=C1COC2=CC=CC(F)=C12 C16679 [0,1,0,0,0,0|2,0,0]=3 238 B12R2.203 O=C1NCC2=C1C(Cl)=NC=C2 D96489 [0,1,0,0,0,0|2,0,0]=3 239 B12R2.203 O=C1NCC2=CC=CC(F)=C12 90046 [0,1,0,0,0,0|1,0,0]=2 240 B12R2.203 O=C1OCC2=CC=CC(Br)=C12 Y12627 [0,1,0,0,0,0|0,0,0]=1 241 B12R2.203 O=C1OCC2=CC=CC(F)=C12 N13153 [0,1,0,0,0,0|0,0,0]=1 242 B12R2.203 O=C1OCC2=CC=CC(I)=C12 D83894 [0,1,0,0,0,0|0,0,0]=1 243 B12R2.203 OC1=NOC2=CC=CC(F)=C21 66461 [0,1,0,0,0,0|2,0,1]=4 244 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 78098 [0,1,0,0,0,0|0,0,0]=1 245 B12R2.612 CC1=CC2=C(C=C1)C(O)=NO2 O11611 [0,1,0,0,0,0|2,0,1]=4 246 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,1,0,0,0,0|2,0,1]=4 247 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,1,0,0,0,0|2,0,1]=4 248 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,1,0,0,0,0|1,0,2]=4 249 B12R2.612 CC1=CC2=C(C=N1)C(=O)CC2 66309 [0,1,0,0,0,0|2,0,0]=3 250 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 50641 [0,1,0,0,0,0|3,0,0]=4 251 B12R2.612 CC1=CNC2=C1C=CC(Cl)=C2 82345 [0,1,0,0,0,0|3,0,0]=4 252 B12R2.612 CC1=CNC2=C1C=CC(F)=C2 D97643 [0,1,0,0,0,0|3,0,0]=4 253 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 P11526 [0,1,0,0,0,0|3,0,0]=4 254 B12R2.612 CC1=NNC2=C1C=CC(F)=C2 I11286 [0,1,0,0,0,0|3,0,0]=4 255 B12R2.612 CC1=NNC2=C1C=CC(I)=C2 38777 [0,1,0,0,0,0|3,0,0]=4 256 B12R2.612 ClC1=CC2=C(C=C1)C(Br)=NN2 P17591 [0,1,0,0,0,0|3,0,0]=4 257 B12R2.612 ClC1=CC2=C(C=C1)C(Cl)=CS2 D87906 [0,1,0,0,0,0|3,0,0]=4 258 B12R2.612 ClC1=CC2=C(C=C1)C(Cl)=NO2 27523 [0,1,0,0,0,0|3,0,0]=4 259 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 83077 [0,1,0,0,0,0|3,0,0]=4 260 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NN2 P16034 [0,1,0,0,0,0|3,0,0]=4 261 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NO2 27521 [0,1,0,0,0,0|3,0,0]=4 262 B12R2.612 FC1=CC2=C(C=C1)C(I)=CN2 98354 [0,1,0,0,0,0|3,0,0]=4 263 B12R2.612 FC1=CC2=C(C=C1)C(I)=NN2 87979 [0,1,0,0,0,0|3,0,0]=4 264 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 20323 [0,1,0,0,0,0|2,0,0]=3 265 B12R2.612 NC1=CC2=C(C=C1)C(Cl)=NN2 22911 [0,1,0,0,0,0|3,0,0]=4 266 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67300 [0,1,0,0,0,0|2,0,1]=4 267 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67303 [0,1,0,0,0,0|2,0,1]=4 268 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 N11203 [0,1,0,0,0,0|2,0,1]=4 269 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 O10181 [0,1,0,0,0,0|2,0,1]=4 270 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 Y10109 [0,1,0,0,0,0|2,0,1]=4 271 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 N12837 [0,1,0,0,0,0|2,0,1]=4 272 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10880 [0,1,0,0,0,0|2,0,1]=4 273 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10881 [0,1,0,0,0,0|2,0,1]=4 274 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10918 [0,1,0,0,0,0|2,0,1]=4 275 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10919 [0,1,0,0,0,0|2,0,1]=4 276 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11253 [0,1,0,0,0,0|2,0,1]=4 277 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11814 [0,1,0,0,0,0|2,0,1]=4 278 B12R2.612 N[C@H]1CCC2=C1C=CC(O)=C2 Y11929 [0,1,0,0,0,0|2,0,1]=4 279 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 78363 [0,1,0,0,0,0|1,0,0]=2 280 B12R2.612 O=C1CCC2=CC(Br)=CN=C12 85957 [0,1,0,0,0,0|2,0,0]=3 281 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 67306 [0,1,0,0,0,0|2,0,0]=3 282 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 83087 [0,1,0,0,0,0|1,0,0]=2 283 B12R2.612 O=C1NCC2=C1C=CC(Cl)=N2 83999 [0,1,0,0,0,0|2,0,0]=3 284 B12R2.612 O=C1NCC2=CC(Br)=CN=C12 52917 [0,1,0,0,0,0|2,0,0]=3 285 B12R2.612 O=C1NN=C2C=C(Cl)C=CN12 F53853 [0,1,0,0,0,0|3,0,0]=4 286 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 26667 [0,1,0,0,0,0|2,0,0]=3 287 B12R2.612 O=C1NSC2=C1C=CC(F)=C2 S10563 [0,1,0,0,0,0|2,0,0]=3 288 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 P13253 [0,1,0,0,0,0|1,0,0]=2 289 B12R2.612 OB1OCC2=C1C=CC(O)=C2 P15896 [0,1,0,0,0,0|1,0,1]=3 290 B12R2.612 OC1=CC2=C(C=C1)C(Br)=NN2 F52085 [0,1,0,0,0,0|3,0,0]=4 291 B12R2.612 OC1=NOC2=C1C=CC(Br)=C2 93322 [0,1,0,0,0,0|2,0,1]=4 292 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67299 [0,1,0,0,0,0|1,0,2]=4 293 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67301 [0,1,0,0,0,0|1,0,2]=4 294 B12R2.2028 CN1C=C(Cl)C2=C1C=CC=C2 AB10986 [0,1,0,0,0,0|3,0,0]=4 295 B12R2.2028 CN1N=C(Br)C2=C1C=CC=C2 24258 [0,1,0,0,0,0|3,0,0]=4 296 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 87996 [0,1,0,0,0,0|3,0,0]=4 297 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,1,0,0,0,0|2,0,0]=3 298 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,1,0,0,0,0|1,0,0]=2 299 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [0,1,0,0,0,0|1,0,0]=2 300 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [0,1,0,0,0,0|1,0,2]=4 301 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,0,1,0,0,0|3,0,0]=4 303 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,0,1,0,0,0|2,0,0]=3 304 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,0,1,0,0,0|1,0,1]=3 305 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,0,1,0,0,0|3,0,0]=4 306 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,0,1,0,0,0|3,0,0]=4 307 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,0,1,0,0,0|2,0,1]=4 308 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,0,1,0,0,0|1,0,2]=4 309 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,0,1,0,0,0|1,0,2]=4 310 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [0,0,1,0,0,0|2,0,0]=3 311 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [0,0,1,0,0,0|3,0,0]=4 312 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [0,0,1,0,0,0|2,1,0]=4 313 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,0,1,0,0,0|3,0,0]=4 314 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,0,1,0,0,0|3,0,0]=4 315 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [0,0,1,0,0,0|3,0,0]=4 316 B10R1.17 C=C\C=C\C1=CC=CC=C1 54349 [0,0,1,0,0,0|2,0,1]=4 317 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,0,1,0,0,0|2,0,1]=4 318 B10R1.17 CNNCC1=CC=CC=C1 30192 [0,0,1,0,0,0|3,0,0]=4 319 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,0,1,0,0,0|2,0,1]=4 320 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [0,0,1,0,0,0|3,0,0]=4 321 B10R1.20 C#CC1=C(CO)C=CC=N1 W12663 [0,0,1,0,0,0|2,0,1]=4 322 B10R1.20 C=CC1=C(CO)C=CC=C1 C74805 [0,0,1,0,0,0|1,0,0]=2 323 B10R1.20 CNC1=C(C=O)C=CC=C1 O10528 [0,0,1,0,0,0|2,0,0]=3 324 B10R1.20 CNC1=C(C=O)C=CC=N1 FD10569 [0,0,1,0,0,0|3,0,0]=4 325 B10R1.20 CNC1=C(CCl)C=CC=C1 D93985 [0,0,1,0,0,0|3,0,0]=4 326 B10R1.20 COC1=C(C=O)C=CN=C1 P17577 [0,0,1,0,0,0|3,0,0]=4 327 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [0,0,1,0,0,0|3,0,0]=4 328 B10R1.20 COC1=CC=CN=C1C=O P10318 [0,0,1,0,0,0|3,0,0]=4 329 B10R1.20 CSC1=C(C=O)C=CC=C1 T72851 [0,0,1,0,0,0|2,0,0]=3 330 B10R1.20 N#CC1=C(C=O)C=CN=C1 D82534 [0,0,1,0,0,0|2,0,1]=4 331 B10R1.20 N#CC1=C(CN)C=CC=C1 A51071 [0,0,1,0,0,0|2,0,1]=4 332 B10R1.20 NCC1=C(CN)C=CC=C1 20182 [0,0,1,0,0,0|2,0,1]=4 333 B10R1.20 OCC1=C(CBr)C=CC=C1 O10024 [0,0,1,0,0,0|1,0,1]=3 334 B10R1.20 OCC1=C(CF)C=CC=C1 W10520 [0,0,1,0,0,0|1,0,1]=3 335 B10R1.20 OCC1=C(CO)C=NC=C1 30227 [0,0,1,0,0,0|1,0,2]=4 336 B10R1.20 OCC1=C(CO)C=NC=C1 39456 [0,0,1,0,0,0|1,0,2]=4 337 B10R1.20 OCC1=CC=CN=C1CO 75308 [0,0,1,0,0,0|1,0,2]=4 338 B10R1.20 OCC1=CC=CN=C1CO S11918 [0,0,1,0,0,0|1,0,2]=4 339 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,0,1,0,0,0|3,0,0]=4 340 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,0,1,0,0,0|3,0,0]=4 341 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,0,1,0,0,0|2,0,0]=3 342 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [0,0,1,0,0,0|3,0,0]=4 343 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,0,1,0,0,0|3,0,0]=4 344 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,0,1,0,0,0|3,0,0]=4 345 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [0,0,1,0,0,0|3,0,0]=4 346 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,0,1,0,0,0|3,0,0]=4 347 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,0,1,0,0,0|3,0,0]=4 348 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,0,1,0,0,0|3,0,0]=4 349 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,0,1,0,0,0|3,0,0]=4 350 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,0,1,0,0,0|3,0,0]=4 351 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,0,1,0,0,0|3,0,0]=4 352 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [0,0,1,0,0,0|2,0,0]=3 353 B10R1.61 CC1=C(C(=O)O)C=CN=N1 P11312 [0,0,1,0,0,0|2,0,0]=3 354 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,0,1,0,0,0|1,0,0]=2 355 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [0,0,1,0,0,0|2,0,0]=3 356 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [0,0,1,0,0,0|2,0,0]=3 357 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,0,1,0,0,0|2,0,1]=4 358 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,0,1,0,0,0|2,0,1]=4 359 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,0,1,0,0,0|2,0,1]=4 360 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,0,1,0,0,0|2,0,1]=4 361 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 C76767 [0,0,1,0,0,0|2,0,1]=4 362 B10R1.61 CC1=CC=CN=C1B(O)O C16742 [0,0,1,0,0,0|2,0,1]=4 363 B10R1.61 CC1=CC=CN=C1C(=N)N I11838 [0,0,1,0,0,0|3,0,0]=4 364 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,0,1,0,0,0|2,0,1]=4 365 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [0,0,1,0,0,0|2,0,0]=3 366 B10R1.61 CC1=CN=CN=C1C(=O)O F52630 [0,0,1,0,0,0|2,0,0]=3 367 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [0,0,1,0,0,0|2,0,1]=4 368 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,0,1,0,0,0|2,0,1]=4 369 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,0,1,0,0,0|2,0,1]=4 370 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,0,1,0,0,0|2,0,1]=4 371 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 71514 [0,0,1,0,0,0|3,0,0]=4 372 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [0,0,1,0,0,0|3,0,0]=4 373 B10R1.61 NC1=CN=CN=C1C(=O)O 20214 [0,0,1,0,0,0|3,0,0]=4 374 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 84369 [0,0,1,0,0,0|3,0,0]=4 375 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 P10759 [0,0,1,0,0,0|3,0,0]=4 376 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [0,0,1,0,0,0|2,0,0]=3 377 B10R1.61 O=C(O)C1=CC=NN=C1Cl P11658 [0,0,1,0,0,0|3,0,0]=4 378 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [0,0,1,0,0,0|3,0,0]=4 379 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [0,0,1,0,0,0|3,0,0]=4 380 B10R2.32 O=C1CCN2C=CN=C12 W18257 [0,0,0,0,1,0|3,0,0]=4 381 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,0,0,0,1,0|0,0,0]=1 382 B12R2.24 BrC1=CC2=CC=CC=C2N=N1 C76515 [0,0,0,0,0,1|3,0,0]=4 383 B12R2.24 BrC1=NC2=CC=CC=C2C=N1 O10704 [0,0,0,0,0,1|2,0,1]=4 384 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,0,0,0,0,1|3,0,0]=4 385 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,0,0,0,0,1|3,0,0]=4 386 B12R2.24 ClC1=CC2=CC=CC=C2N=N1 32281 [0,0,0,0,0,1|3,0,0]=4 387 B12R2.24 FC1=CC2=CC=CC=C2N=C1 F30311 [0,0,0,0,0,1|3,0,0]=4 388 B12R2.24 FC1=NC2=CC=CC=C2C=C1 H10138 [0,0,0,0,0,1|2,0,1]=4 389 B12R2.24 IC1=CC2=CC=CC=C2N=C1 AB9519 [0,0,0,0,0,1|3,0,0]=4 390 B12R2.24 IC1=NC2=CC=CC=C2C=C1 71122 [0,0,0,0,0,1|2,0,1]=4 391 B12R2.24 IC1=NC2=CC=CC=C2C=N1 W17116 [0,0,0,0,0,1|2,0,1]=4 392 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,0,0,0,0,1|2,0,1]=4 393 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,0,0,0,0,1|2,0,1]=4 394 B12R2.24 O=C1C=C2C=CC=CC2=NN1 O11709 [0,0,0,0,0,1|2,0,0]=3 395 B12R2.24 O=C1C=CC2=CC=CN=C2N1 P11962 [0,0,0,0,0,1|2,0,1]=4 396 B12R2.24 O=C1C=NC2=CC=CN=C2N1 O12061 [0,0,0,0,0,1|3,0,0]=4 397 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,0,0,1|1,0,0]=2 398 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 P10564 [0,0,0,0,0,1|2,0,0]=3 399 B12R2.24 O=C1CCC2=C(C=NC=N2)C1 F52711 [0,0,0,0,0,1|3,0,0]=4 400 B12R2.24 O=C1CCC2=CC=CN=C2N1 66146 [0,0,0,0,0,1|2,0,0]=3 401 B12R2.24 O=C1CNC2=C(C=CC=N2)N1 97242 [0,0,0,0,0,1|3,0,0]=4 402 B12R2.24 O=C1COC2=C(C=CC=N2)N1 83760 [0,0,0,0,0,1|3,0,0]=4 403 B12R2.24 O=C1COC2=C(C=CN=C2)N1 83761 [0,0,0,0,0,1|3,0,0]=4 404 B12R2.24 O=C1COC2=C(C=NC=C2)N1 84022 [0,0,0,0,0,1|3,0,0]=4 405 B12R2.24 O=C1CSC2=C(C=CN=C2)N1 W19614 [0,0,0,0,0,1|3,0,0]=4 406 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,0,0,1|1,0,0]=2 407 B12R2.24 SC1=CC2=CC=CC=C2N=C1 D83175 [0,0,0,0,0,1|2,1,0]=4 408 B12R2.24 [O-]C1=CC2=CC=CC=C2C=C1 A12912 [0,0,0,0,0,1|1,0,2]=4 409 B12R2.1081 CC1=CN=CC2=CC=CC=C12 84296 [0,0,0,0,0,1|2,0,1]=4 410 B12R2.1081 CC1=NC=NC2=CC=CC=C21 C76230 [0,0,0,0,0,1|2,0,1]=4 411 B12R2.1081 CN1CCOC2=C1C=CC=C2 W18821 [0,0,0,0,0,1|3,0,0]=4 412 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [0,0,0,0,0,1|2,0,1]=4 413 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [0,0,0,0,0,1|2,0,1]=4 414 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [0,0,0,0,0,1|2,0,1]=4 415 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [0,0,0,0,0,1|2,0,1]=4 416 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [0,0,0,0,0,1|2,0,1]=4 417 B12R2.1081 FC1=CC=NC2=CC=CC=C12 C13619 [0,0,0,0,0,1|2,0,1]=4 418 B12R2.1081 FC1=NC=NC2=CC=CC=C21 D79716 [0,0,0,0,0,1|2,0,1]=4 419 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 C76564 [0,0,0,0,0,1|2,0,1]=4 420 B12R2.1081 N[C@H]1CCNC2=C1C=CC=C2 F53442 [0,0,0,0,0,1|2,0,1]=4 421 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 71737 [0,0,0,0,0,1|2,0,1]=4 422 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 87775 [0,0,0,0,0,1|2,0,1]=4 423 B12R2.1081 N[C@H]1CNCC2=C1C=CC=C2 52240 [0,0,0,0,0,1|2,0,1]=4 424 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 37330 [0,0,0,0,0,1|1,0,1]=3 425 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SC2561 [0,0,0,0,0,1|1,0,1]=3 426 B12R2.1081 O=C1C=CNC2=C1C=NC=C2 F13211 [0,0,0,0,0,1|2,0,1]=4 427 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 F31381 [0,0,0,0,0,1|1,0,1]=3 428 B12R2.1081 O=C1CCCC2=C1C=CN=C2 51824 [0,0,0,0,0,1|2,0,0]=3 429 B12R2.1081 O=C1CCCC2=C1C=CN=C2 Y10029 [0,0,0,0,0,1|2,0,0]=3 430 B12R2.1081 O=C1CCCC2=C1C=NC=C2 60208 [0,0,0,0,0,1|2,0,0]=3 431 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [0,0,0,0,0,1|2,0,0]=3 432 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [0,0,0,0,0,1|2,0,0]=3 433 B12R2.1081 O=C1NC=CC2=CC=CN=C12 52865 [0,0,0,0,0,1|2,0,1]=4 434 B12R2.1081 O=C1NC=NC2=C1C=CN=C2 84847 [0,0,0,0,0,1|2,0,1]=4 435 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [0,0,0,0,0,1|2,0,0]=3 436 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [0,0,0,0,0,1|2,0,0]=3 437 B12R2.1081 O=C1NN=CC2=C1C=CC=N2 84843 [0,0,0,0,0,1|2,0,1]=4 438 B12R2.1081 O=C1NN=CC2=C1C=CN=C2 84845 [0,0,0,0,0,1|2,0,1]=4 439 B12R2.1081 O=C1OC=CC2=C1C=CC=C2 N10038 [0,0,0,0,0,1|0,0,1]=2 440 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,0,0,0,0,1|1,0,2]=4 441 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,0,0,0,0,1|1,0,2]=4 442 B12R2.1081 O[C@H]1CCNC2=C1C=CC=C2 75128 [0,0,0,0,0,1|1,0,2]=4 443 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 A12066 [0,0,0,0,0,1|1,0,2]=4 444 B12R2.1081 O[C@H]1COCC2=C1C=CC=C2 N13051 [0,0,0,0,0,1|0,0,2]=3 445 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,0,1,0,0,0|2,0,0]=4 446 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [1,0,1,0,0,0|2,0,0]=4 447 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,0,1,0,0,0|1,0,1]=4 448 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,0,1,0,0,0|2,0,0]=4 449 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,0,1,0,0,0|2,0,0]=4 450 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,0,1,0,0,0|2,0,0]=4 451 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,0,1,0,0,0|2,0,0]=4 452 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,0,1,0,0,0|1,0,1]=4 453 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [1,0,1,0,0,0|2,0,0]=4 454 B9R1.15 C=CC1=CC=CN=C1C P11579 [1,0,1,0,0,0|2,0,0]=4 455 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [1,0,1,0,0,0|1,0,0]=3 456 B9R1.15 CC1=C(CO)C=NC=C1 38669 [1,0,1,0,0,0|1,0,1]=4 457 B9R1.15 CC1=NC=CN=C1C=O 30985 [1,0,1,0,0,0|2,0,0]=4 458 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [1,0,1,0,0,0|2,0,0]=4 459 B9R1.15 NC1=C(CO)C=CN=C1 F13531 [1,0,1,0,0,0|2,0,0]=4 460 B9R1.15 NC1=C(CO)C=NC=C1 28348 [1,0,1,0,0,0|2,0,0]=4 461 B9R1.15 NC1=CC=CN=C1C=O 80155 [1,0,1,0,0,0|2,0,0]=4 462 B9R1.15 NC1=CC=CN=C1CO H10562 [1,0,1,0,0,0|2,0,0]=4 463 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [1,0,1,0,0,0|2,0,0]=4 464 B9R1.15 O=C1NC=CC=C1CO P16012 [1,0,1,0,0,0|1,0,0]=3 465 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [1,0,1,0,0,0|2,0,0]=4 466 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [1,0,1,0,0,0|1,0,0]=3 467 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [1,0,1,0,0,0|1,0,0]=3 468 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [1,0,1,0,0,0|1,0,0]=3 469 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [1,0,1,0,0,0|2,0,0]=4 470 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [1,0,1,0,0,0|2,0,0]=4 471 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [1,0,1,0,0,0|1,0,1]=4 472 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,1,1,0,0,0|2,0,0]=4 473 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,1,1,0,0,0|2,0,0]=4 474 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,1,1,0,0,0|1,0,1]=4 475 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,1,1,0,0,0|0,0,0]=2 476 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,1,1,0,0,0|1,0,0]=3 477 B11R1.22 C#CC(=O)C1=CC=C(F)C=C1 W16135 [0,1,1,0,0,0|1,0,1]=4 478 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [0,1,1,0,0,0|1,0,1]=4 479 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,1,1,0,0,0|2,0,0]=4 480 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,1,1,0,0,0|2,0,0]=4 481 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [0,1,1,0,0,0|2,0,0]=4 482 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,1,1,0,0,0|2,0,0]=4 483 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,1,1,0,0,0|1,0,0]=3 484 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,1,1,0,0,0|1,0,0]=3 485 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,1,1,0,0,0|0,0,0]=2 486 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [0,1,1,0,0,0|2,0,0]=4 487 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [0,1,1,0,0,0|2,0,0]=4 488 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [0,1,1,0,0,0|2,0,0]=4 489 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [0,1,1,0,0,0|2,0,0]=4 490 B11R1.22 COC(=O)C1=NC=C(F)C=N1 28016 [0,1,1,0,0,0|2,0,0]=4 491 B11R1.22 COC(=O)C1=NC=C(N)C=N1 P13628 [0,1,1,0,0,0|2,0,0]=4 492 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [0,1,1,0,0,0|2,0,0]=4 493 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,1,1,0,0,0|2,0,0]=4 494 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,1,1,0,0,0|2,0,0]=4 495 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,1,1,0,0,0|2,0,0]=4 496 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 AB1242 [0,1,1,0,0,0|2,0,0]=4 497 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,1,1,0,0,0|2,0,0]=4 498 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,1,1,0,0,0|2,0,0]=4 499 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,1,1,0,0,0|2,0,0]=4 500 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,1,1,0,0,0|2,0,0]=4 501 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,1,1,0,0,0|2,0,0]=4 502 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [0,1,1,0,0,0|2,0,0]=4 503 B11R1.23 CNC(=O)C1=CC(Br)=CN=C1 A12089 [0,1,1,0,0,0|2,0,0]=4 504 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 D80651 [0,1,1,0,0,0|2,0,0]=4 505 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [0,1,1,0,0,0|1,0,0]=3 506 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 C71735 [0,1,1,0,0,0|2,0,0]=4 507 B11R1.23 COC(=O)C1=CC(F)=NC=C1 C10485 [0,1,1,0,0,0|1,0,0]=3 508 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,1,1,0,0,0|2,0,0]=4 509 B11R1.23 COC(=O)C1=NC(=O)NC=C1 C77281 [0,1,1,0,0,0|2,0,0]=4 510 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,1,1,0,0,0|2,0,0]=4 511 B11R1.23 COC(=O)C1=NC(N)=CC=N1 AT18258 [0,1,1,0,0,0|2,0,0]=4 512 B11R1.23 COC(=O)C1=NC(N)=NC=C1 H10331 [0,1,1,0,0,0|2,0,0]=4 513 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [0,1,1,0,0,0|2,0,0]=4 514 B11R1.23 COC(=O)C1=NC=NC(N)=C1 39272 [0,1,1,0,0,0|2,0,0]=4 515 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,1,1,0,0,0|2,0,0]=4 516 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,1,1,0,0,0|2,0,0]=4 517 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 N16981 [0,1,1,0,0,0|2,0,0]=4 518 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [0,1,1,0,0,0|1,0,0]=3 519 B11R1.222 CC1=C(C(=O)C#N)C=CC=C1 AB1507 [0,1,1,0,0,0|2,0,0]=4 520 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [0,1,1,0,0,0|2,0,0]=4 521 B11R1.222 CNC(=O)C1=CNC=CC1=O F11755 [0,1,1,0,0,0|2,0,0]=4 522 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 I11422 [0,1,1,0,0,0|1,0,0]=3 523 B11R1.222 COC(=O)C1=C(Br)C=NC=N1 67174 [0,1,1,0,0,0|2,0,0]=4 524 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 26180 [0,1,1,0,0,0|1,0,0]=3 525 B11R1.222 COC(=O)C1=C(N)N=CN=C1 26406 [0,1,1,0,0,0|2,0,0]=4 526 B11R1.222 COC(=O)C1=C(N)N=NC=C1 32233 [0,1,1,0,0,0|2,0,0]=4 527 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [0,1,1,0,0,0|1,0,0]=3 528 B11R1.222 COC(=O)C1=CC=NN=C1Cl AT22445 [0,1,1,0,0,0|2,0,0]=4 529 B11R1.222 COC(=O)C1=CC=NNC1=O P11740 [0,1,1,0,0,0|2,0,0]=4 530 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [0,1,1,0,0,0|2,0,0]=4 531 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [0,1,1,0,0,0|2,0,0]=4 532 B11R1.222 COC(=O)C1=NC=NC=C1N P21150 [0,1,1,0,0,0|2,0,0]=4 533 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,1,1,0,0,0|2,0,0]=4 534 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,1,1,0,0,0|2,0,0]=4 535 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [0,1,1,0,0,0|2,0,0]=4 536 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [0,1,1,0,0,0|2,0,0]=4 537 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [0,1,1,0,0,0|1,0,1]=4 538 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [0,1,1,0,0,0|1,0,1]=4 539 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [0,1,1,0,0,0|1,0,0]=3 540 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [0,1,1,0,0,0|1,0,0]=3 541 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [0,1,1,0,0,0|1,0,0]=3 542 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [0,1,1,0,0,0|2,0,0]=4 543 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [0,1,1,0,0,0|1,0,0]=3 544 B11R1.17 O=C\C=C\C1=C(F)C=CC=C1 24137 [0,1,1,0,0,0|1,0,1]=4 545 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [0,1,1,0,0,0|1,0,0]=3 546 B11R1.28 ICCOCC1=CC=CC=C1 70075 [0,1,1,0,0,0|1,0,1]=4 547 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [0,1,1,0,0,0|2,0,0]=4 548 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,1,1,0,0,0|2,0,0]=4 549 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,1,1,0,0,0|1,0,1]=4 550 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,1,1,0,0,0|2,0,0]=4 551 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,1,1,0,0,0|2,0,0]=4 552 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,1,1,0,0,0|2,0,0]=4 553 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,1,1,0,0,0|1,0,0]=3 554 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,1,1,0,0,0|2,0,0]=4 555 B11R1.37 C#CC1=C(C=O)C=CC(F)=C1 C76398 [0,1,1,0,0,0|1,0,1]=4 556 B11R1.37 CC1=CC(C#N)=C(C=O)C=C1 W17085 [0,1,1,0,0,0|1,0,1]=4 557 B11R1.37 CCC1=C(C=O)C=C(Br)C=C1 CL9497 [0,1,1,0,0,0|1,0,0]=3 558 B11R1.37 CCC1=C(C=O)C=CC(Cl)=C1 CK2098 [0,1,1,0,0,0|1,0,0]=3 559 B11R1.37 CCC1=C(CO)C=C(Br)C=C1 C13891 [0,1,1,0,0,0|1,0,1]=4 560 B11R1.37 COC1=C(C=O)C=C(I)C=C1 63781 [0,1,1,0,0,0|2,0,0]=4 561 B11R1.37 COC1=C(C=O)C=C(O)C=C1 C74824 [0,1,1,0,0,0|2,0,0]=4 562 B11R1.37 COC1=C(CO)C=C(C)C=C1 A12781 [0,1,1,0,0,0|2,0,0]=4 563 B11R1.37 COC1=C(CO)C=C(Cl)C=C1 20565 [0,1,1,0,0,0|2,0,0]=4 564 B11R1.37 COC1=C(CO)C=CC(O)=C1 C71627 [0,1,1,0,0,0|2,0,0]=4 565 B11R1.37 N#CC1=C(C=O)C=C(Cl)C=C1 AC6803 [0,1,1,0,0,0|1,0,1]=4 566 B11R1.37 N#CC1=C(C=O)C=CC(Br)=C1 36183 [0,1,1,0,0,0|1,0,1]=4 567 B11R1.37 O=CC1=C(C=O)C=C(Br)C=C1 F13695 [0,1,1,0,0,0|0,0,2]=4 568 B11R1.37 OCC1=C(CO)C=C(Cl)C=C1 72445 [0,1,1,0,0,0|0,0,2]=4 569 B11R1.41 CCSC1=C(C=O)C=CC=C1 W12314 [0,1,1,0,0,0|1,0,0]=3 570 B11R1.41 CNCC1=C(CO)C=CC=C1 31935 [0,1,1,0,0,0|1,0,1]=4 571 B11R1.41 COC1=C(CC=O)C=CC=C1 29933 [0,1,1,0,0,0|2,0,0]=4 572 B11R1.41 COCC1=C(C=O)C=CC=C1 A11867 [0,1,1,0,0,0|0,0,0]=2 573 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 77937 [0,1,1,0,0,0|1,0,1]=4 574 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 79244 [0,1,1,0,0,0|1,0,1]=4 575 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 O10770 [0,1,1,0,0,0|2,0,0]=4 576 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 O11001 [0,1,1,0,0,0|2,0,0]=4 577 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 C75477 [0,1,1,0,0,0|2,0,0]=4 578 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [0,1,1,0,0,0|1,0,0]=3 579 B11R1.53 CN(C)C1=C(CO)C=CC=C1 W18685 [0,1,1,0,0,0|2,0,0]=4 580 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [0,1,1,0,0,0|2,0,0]=4 581 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 26663 [0,1,1,0,0,0|1,0,0]=3 582 B11R1.53 O=[N+]([O-])C1=C(CO)N=CC=C1 AC1084 [0,1,1,0,0,0|2,0,0]=4 583 B11R1.265 CC1=CC=CC(CO)=C1CO W13614 [0,1,1,0,0,0|0,0,2]=4 584 B11R1.265 COC1=C(F)C=CC=C1CO 26176 [0,1,1,0,0,0|2,0,0]=4 585 B11R1.265 N#CC1=C(Br)C=CC=C1C=O 55903 [0,1,1,0,0,0|1,0,1]=4 586 B11R1.265 N#CC1=C(F)C=CC=C1C=O AT25407 [0,1,1,0,0,0|1,0,1]=4 587 B11R1.265 N#CC1=CC=CC(Cl)=C1C=O 32837 [0,1,1,0,0,0|1,0,1]=4 588 B11R1.265 N#CC1=CC=CC(F)=C1CO 86889 [0,1,1,0,0,0|1,0,1]=4 589 B11R1.87 CC1=C(S(=O)(=O)O)C=CC=C1 C73659 [0,1,1,0,0,0|1,0,0]=3 590 B11R1.87 CC1=CC=CN=C1S(=O)(=O)O C73655 [0,1,1,0,0,0|2,0,0]=4 591 B11R1.156 CC(=O)C1=C(F)C=CC=C1C CL9504 [0,1,1,0,0,0|1,0,0]=3 592 B11R1.156 CC(=O)C1=C(F)C=CC=C1N C76841 [0,1,1,0,0,0|2,0,0]=4 593 B11R1.156 CC(=O)C1=C(O)C=CC=C1C CL9444 [0,1,1,0,0,0|1,0,0]=3 594 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 H10306 [0,1,1,0,0,0|1,0,0]=3 595 B11R1.156 CC1=C(C(=O)O)C(Cl)=NC=C1 57354 [0,1,1,0,0,0|1,0,0]=3 596 B11R1.156 CC1=C(C(N)=O)C(Cl)=NC=C1 81867 [0,1,1,0,0,0|2,0,0]=4 597 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)Cl 30562 [0,1,1,0,0,0|1,0,0]=3 598 B11R1.156 CC1=CC=CC(F)=C1B(O)O C76971 [0,1,1,0,0,0|1,0,1]=4 599 B11R1.156 CC1=CC=NC(N)=C1C(=O)O H10318 [0,1,1,0,0,0|1,0,0]=3 600 B11R1.156 CC1=CN=CC(C)=C1C(N)=O AT11860 [0,1,1,0,0,0|2,0,0]=4 601 B11R1.156 CC1=CN=CC(F)=C1C(=O)O AT23873 [0,1,1,0,0,0|1,0,0]=3 602 B11R1.156 CC1=CN=CC(F)=C1C(=O)O C14362 [0,1,1,0,0,0|1,0,0]=3 603 B11R1.156 NC(=O)C1=C(I)C=CC=C1Cl 35383 [0,1,1,0,0,0|2,0,0]=4 604 B11R1.156 NC1=C(C(=O)O)C(Br)=NC=C1 O11151 [0,1,1,0,0,0|2,0,0]=4 605 B11R1.156 NC1=C(C(=O)O)C(Cl)=NC=C1 86987 [0,1,1,0,0,0|2,0,0]=4 606 B11R1.156 NC1=CC=CC(I)=C1C(=O)O FD13014 [0,1,1,0,0,0|1,0,0]=3 607 B11R1.156 NC1=NC=CC(Cl)=C1C(=O)O 36262 [0,1,1,0,0,0|2,0,0]=4 608 B11R1.156 O=C(Cl)C1=C(Br)C=CC=C1F CK1090 [0,1,1,0,0,0|2,0,0]=4 609 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O C15718 [0,1,1,0,0,0|1,0,0]=3 610 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Br D83260 [0,1,1,0,0,0|2,0,0]=4 611 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Cl 55292 [0,1,1,0,0,0|2,0,0]=4 612 B11R1.156 O=C(O)C1=C(Br)C=CN=C1F 79053 [0,1,1,0,0,0|2,0,0]=4 613 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1F 90326 [0,1,1,0,0,0|2,0,0]=4 614 B11R1.156 O=C(O)C1=C(I)C=CC=C1Br 81858 [0,1,1,0,0,0|1,0,0]=3 615 B11R1.156 O=C(O)C1=C(O)C=CN=C1Br D94451 [0,1,1,0,0,0|2,0,0]=4 616 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,1,1,0,0,0|2,0,0]=4 617 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 24067 [0,1,1,0,0,0|2,0,0]=4 618 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 O10249 [0,1,1,0,0,0|2,0,0]=4 619 B11R1.159 CC(=O)C1=CC=CC(Br)=C1C CL9266 [0,1,1,0,0,0|1,0,0]=3 620 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N 51210 [0,1,1,0,0,0|2,0,0]=4 621 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br C73097 [0,1,1,0,0,0|2,0,0]=4 622 B11R1.159 CC(=O)C1=CC=CC(N)=C1F C72091 [0,1,1,0,0,0|2,0,0]=4 623 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O Y10130 [0,1,1,0,0,0|1,0,0]=3 624 B11R1.159 CC1=C(Br)C=NC=C1C(=O)O 82203 [0,1,1,0,0,0|1,0,0]=3 625 B11R1.159 CC1=C(C(=O)O)N=CN=C1Cl 70443 [0,1,1,0,0,0|2,0,0]=4 626 B11R1.159 CC1=C(C)C(C(=O)O)=NC=N1 72793 [0,1,1,0,0,0|2,0,0]=4 627 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 D83392 [0,1,1,0,0,0|2,0,0]=4 628 B11R1.159 CC1=NC=CC(C(=O)O)=C1N C90386 [0,1,1,0,0,0|2,0,0]=4 629 B11R1.159 CN1C(=O)C=CC=C1C(=O)O 26241 [0,1,1,0,0,0|1,0,0]=3 630 B11R1.159 NC(=O)C1=CC=CC(Br)=C1F 36237 [0,1,1,0,0,0|2,0,0]=4 631 B11R1.159 NC(=O)C1=CC=CC(Br)=C1N 26259 [0,1,1,0,0,0|2,0,0]=4 632 B11R1.159 NC(=O)C1=CC=CC(F)=C1F A12174 [0,1,1,0,0,0|2,0,0]=4 633 B11R1.159 NC(=O)C1=CC=CC(F)=C1N 35380 [0,1,1,0,0,0|2,0,0]=4 634 B11R1.159 NC(=O)C1=CC=CC(N)=C1F C72490 [0,1,1,0,0,0|2,0,0]=4 635 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl 36261 [0,1,1,0,0,0|2,0,0]=4 636 B11R1.159 NC1=C(F)C(C(=O)O)=CC=N1 D83637 [0,1,1,0,0,0|2,0,0]=4 637 B11R1.159 O=C(O)C1=C(Br)C(Br)=NC=C1 W17140 [0,1,1,0,0,0|2,0,0]=4 638 B11R1.159 O=C(O)C1=C(Cl)C(Br)=NC=C1 30916 [0,1,1,0,0,0|2,0,0]=4 639 B11R1.159 O=C(O)C1=CC=CC(=O)N1O 36408 [0,1,1,0,0,0|2,0,0]=4 640 B11R1.159 O=C(O)C1=CC=CC(=S)N1O W11623 [0,1,1,0,0,0|2,0,0]=4 641 B11R1.159 O=C(O)C1=CC=CC(O)=C1Cl CL9330 [0,1,1,0,0,0|1,0,0]=3 642 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1Br C13624 [0,1,1,0,0,0|2,0,0]=4 643 B11R1.159 O=C(O)C1=CN=CC(Br)=C1I H10040 [0,1,1,0,0,0|2,0,0]=4 644 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O Y10035 [0,1,1,0,0,0|2,0,0]=4 645 B11R1.159 O=C(O)C1=CNC=C(Br)C1=O O11379 [0,1,1,0,0,0|2,0,0]=4 646 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F S10232 [0,1,1,0,0,0|2,0,0]=4 647 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,1,1,0,0,0|2,0,0]=4 648 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [0,1,1,0,0,0|2,0,0]=4 649 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [0,1,1,0,0,0|2,0,0]=4 650 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,1,1,0,0,0|2,0,0]=4 651 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [0,1,1,0,0,0|2,0,0]=4 652 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,1,1,0,0,0|2,0,0]=4 653 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [0,1,1,0,0,0|2,0,0]=4 654 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,1,1,0,0,0|2,0,0]=4 655 B11R1.166 CC1=C(B(O)O)C=CC(Br)=C1 A12288 [0,1,1,0,0,0|1,0,1]=4 656 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,1,1,0,0,0|0,0,0]=2 657 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=N1 CS1395 [0,1,1,0,0,0|2,0,0]=4 658 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 W11094 [0,1,1,0,0,0|1,0,0]=3 659 B11R1.166 CC1=C([N+](=O)[O-])C=CC(I)=C1 D71992 [0,1,1,0,0,0|1,0,1]=4 660 B11R1.166 CC1=C([N+](=O)[O-])C=CC(S)=C1 N16874 [0,1,1,0,0,0|1,0,1]=4 661 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,1,1,0,0,0|2,0,0]=4 662 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,1,1,0,0,0|2,0,0]=4 663 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 Y10097 [0,1,1,0,0,0|2,0,0]=4 664 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 35389 [0,1,1,0,0,0|2,0,0]=4 665 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 C72078 [0,1,1,0,0,0|2,0,0]=4 666 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 25114 [0,1,1,0,0,0|2,0,0]=4 667 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 C76630 [0,1,1,0,0,0|2,0,0]=4 668 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 72118 [0,1,1,0,0,0|2,0,0]=4 669 B11R1.166 NC(=O)C1=C(O)C=C(N)C=C1 O11153 [0,1,1,0,0,0|2,0,0]=4 670 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=N1 I11984 [0,1,1,0,0,0|2,0,0]=4 671 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O 38415 [0,1,1,0,0,0|2,0,0]=4 672 B11R1.166 NC1=CC(F)=NC=C1C(=O)O 37635 [0,1,1,0,0,0|2,0,0]=4 673 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [0,1,1,0,0,0|1,0,0]=3 674 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)N=C1 F11789 [0,1,1,0,0,0|2,0,0]=4 675 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [0,1,1,0,0,0|1,0,0]=3 676 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 BL010109 [0,1,1,0,0,0|2,0,0]=4 677 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 F10539 [0,1,1,0,0,0|2,0,0]=4 678 B11R1.166 O=C(O)C1=C(F)C=C(O)C=N1 D79760 [0,1,1,0,0,0|2,0,0]=4 679 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 RB3340 [0,1,1,0,0,0|2,0,0]=4 680 B11R1.166 O=C(O)C1=CC=C(F)N=C1Br F30561 [0,1,1,0,0,0|2,0,0]=4 681 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl W16949 [0,1,1,0,0,0|2,0,0]=4 682 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br F11779 [0,1,1,0,0,0|2,0,0]=4 683 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl F11857 [0,1,1,0,0,0|2,0,0]=4 684 B11R1.166 O=C(O)C1=CN=C(F)C=C1F S10764 [0,1,1,0,0,0|2,0,0]=4 685 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [0,1,1,0,0,0|2,0,0]=4 686 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 24153 [0,1,1,0,0,0|2,0,0]=4 687 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 72605 [0,1,1,0,0,0|2,0,0]=4 688 B11R1.167 CC(=O)C1=C(C)C=CC(O)=C1 N14343 [0,1,1,0,0,0|1,0,0]=3 689 B11R1.167 CC(=O)C1=C(Cl)C=CC(N)=C1 AC8788 [0,1,1,0,0,0|2,0,0]=4 690 B11R1.167 CC(=O)C1=C(Cl)C=CC(O)=C1 98261 [0,1,1,0,0,0|2,0,0]=4 691 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 52903 [0,1,1,0,0,0|2,0,0]=4 692 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C C72029 [0,1,1,0,0,0|2,0,0]=4 693 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 D94837 [0,1,1,0,0,0|1,0,0]=3 694 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 P16139 [0,1,1,0,0,0|1,0,0]=3 695 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 P18651 [0,1,1,0,0,0|1,0,0]=3 696 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=N1 C71246 [0,1,1,0,0,0|2,0,0]=4 697 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 W16972 [0,1,1,0,0,0|2,0,0]=4 698 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 37636 [0,1,1,0,0,0|2,0,0]=4 699 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 C76925 [0,1,1,0,0,0|2,0,0]=4 700 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 C75497 [0,1,1,0,0,0|2,0,0]=4 701 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 O10927 [0,1,1,0,0,0|1,0,0]=3 702 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 68795 [0,1,1,0,0,0|2,0,0]=4 703 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 C72632 [0,1,1,0,0,0|2,0,0]=4 704 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,1,1,0,0,0|2,0,0]=4 705 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 26345 [0,1,1,0,0,0|2,0,0]=4 706 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 C71175 [0,1,1,0,0,0|2,0,0]=4 707 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 Y10194 [0,1,1,0,0,0|2,0,0]=4 708 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 P18650 [0,1,1,0,0,0|2,0,0]=4 709 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O I11983 [0,1,1,0,0,0|1,0,0]=3 710 B11R1.167 CN1C=CC(=O)C=C1C(=O)O W19341 [0,1,1,0,0,0|1,0,0]=3 711 B11R1.167 NC1=C(C(=O)O)N=C(Br)C=C1 F31145 [0,1,1,0,0,0|2,0,0]=4 712 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 F52721 [0,1,1,0,0,0|1,0,0]=3 713 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 37564 [0,1,1,0,0,0|2,0,0]=4 714 B11R1.167 NC1=CN=C(F)C=C1C(=O)O 71434 [0,1,1,0,0,0|2,0,0]=4 715 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=C1 F31274 [0,1,1,0,0,0|2,0,0]=4 716 B11R1.167 NC1=NC=C(F)C=C1C(=O)O P15966 [0,1,1,0,0,0|2,0,0]=4 717 B11R1.167 O=C(Cl)C1=C(O)C=CC(Cl)=C1 W16064 [0,1,1,0,0,0|2,0,0]=4 718 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=N1 80162 [0,1,1,0,0,0|2,0,0]=4 719 B11R1.167 O=C(O)C1=C(Br)C=NC(F)=C1 F31180 [0,1,1,0,0,0|2,0,0]=4 720 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=N1 O10988 [0,1,1,0,0,0|2,0,0]=4 721 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=N1 85645 [0,1,1,0,0,0|2,0,0]=4 722 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 69861 [0,1,1,0,0,0|1,0,0]=3 723 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=N1 26690 [0,1,1,0,0,0|2,0,0]=4 724 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl 22950 [0,1,1,0,0,0|2,0,0]=4 725 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1O A10724 [0,1,1,0,0,0|2,0,0]=4 726 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br 24198 [0,1,1,0,0,0|2,0,0]=4 727 B11R1.167 O=C(O)C1=CC(F)=CN=C1F AT10057 [0,1,1,0,0,0|2,0,0]=4 728 B11R1.167 O=C(O)C1=CC(F)=CN=C1O A12916 [0,1,1,0,0,0|2,0,0]=4 729 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl F13413 [0,1,1,0,0,0|2,0,0]=4 730 B11R1.167 O=C1C=C(C(=O)O)C(Br)=CN1 54617 [0,1,1,0,0,0|2,0,0]=4 731 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [1,1,0,0,0,0|2,0,0]=4 732 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [1,1,0,0,0,0|2,0,0]=4 733 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [1,1,0,0,0,0|2,0,0]=4 734 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [1,1,0,0,0,0|2,0,0]=4 735 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [1,1,0,0,0,0|2,0,0]=4 736 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [1,1,0,0,0,0|2,0,0]=4 737 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [1,1,0,0,0,0|2,0,0]=4 738 B11R2.10 IC1=CC2=C(C=CC=C2)S1 F13439 [1,1,0,0,0,0|2,0,0]=4 739 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [1,1,0,0,0,0|2,0,0]=4 740 B11R2.36 BrC1=CC2=C(C=C1)CCC2 Y10449 [1,1,0,0,0,0|1,0,1]=4 741 B11R2.36 BrC1=CC2=C(C=C1)CCN2 73495 [1,1,0,0,0,0|2,0,0]=4 742 B11R2.36 BrC1=CC2=C(C=C1)COC2 71931 [1,1,0,0,0,0|0,0,1]=3 743 B11R2.36 BrC1=CC2=C(C=C1)ON=C2 25694 [1,1,0,0,0,0|2,0,0]=4 744 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [1,1,0,0,0,0|1,0,1]=4 745 B11R2.36 CC1=CC2=C(C=C1)SC=C2 F11127 [1,1,0,0,0,0|2,0,0]=4 746 B11R2.36 CC1=CC2=C(C=CS2)C=C1 C73204 [1,1,0,0,0,0|2,0,0]=4 747 B11R2.36 ClC1=CC2=C(C=C1)CC=C2 53583 [1,1,0,0,0,0|1,0,0]=3 748 B11R2.36 ClC1=CC2=C(C=C1)CCC2 N12723 [1,1,0,0,0,0|1,0,1]=4 749 B11R2.36 ClC1=CC2=C(C=C1)CCN2 F11859 [1,1,0,0,0,0|2,0,0]=4 750 B11R2.36 ClC1=CC2=C(C=C1)CNC2 AB6849 [1,1,0,0,0,0|1,0,1]=4 751 B11R2.36 ClC1=CC2=C(C=C1)OCC2 W17536 [1,1,0,0,0,0|2,0,0]=4 752 B11R2.36 ClC1=CC2=C(C=C1)ON=C2 D78570 [1,1,0,0,0,0|2,0,0]=4 753 B11R2.36 ClC1=CC2=C(C=CC2)C=C1 F13902 [1,1,0,0,0,0|1,0,0]=3 754 B11R2.36 FC1=CC2=C(C=C1)CCN2 F21334 [1,1,0,0,0,0|2,0,0]=4 755 B11R2.36 FC1=CC2=C(C=C1)CCO2 Y13232 [1,1,0,0,0,0|2,0,0]=4 756 B11R2.36 FC1=CC2=C(C=C1)OC=C2 F30233 [1,1,0,0,0,0|2,0,0]=4 757 B11R2.36 FC1=CC2=C(C=CS2)C=C1 P15213 [1,1,0,0,0,0|2,0,0]=4 758 B11R2.36 IC1=CC2=C(C=C1)ON=C2 C77293 [1,1,0,0,0,0|2,0,0]=4 759 B11R2.36 NC1=CC2=C(C=C1)C=NO2 26398 [1,1,0,0,0,0|2,0,0]=4 760 B11R2.36 NC1=CC2=C(C=C1)CCO2 F12399 [1,1,0,0,0,0|2,0,0]=4 761 B11R2.36 NC1=CC2=C(C=C1)CNC2 AB9521 [1,1,0,0,0,0|1,0,1]=4 762 B11R2.36 NC1=CC2=C(C=C1)SN=C2 W17193 [1,1,0,0,0,0|2,0,0]=4 763 B11R2.36 NC1=CC2=C(C=CO2)C=C1 D70068 [1,1,0,0,0,0|2,0,0]=4 764 B11R2.36 OC1=CC2=C(C=C1)C=NO2 24777 [1,1,0,0,0,0|2,0,0]=4 765 B11R2.36 OC1=CC2=C(C=C1)CCN2 C75271 [1,1,0,0,0,0|2,0,0]=4 766 B11R2.36 OC1=CC2=C(C=C1)CCO2 27138 [1,1,0,0,0,0|2,0,0]=4 767 B11R2.36 OC1=CC2=C(C=C1)CNC2 20927 [1,1,0,0,0,0|1,0,1]=4 768 B11R2.36 OC1=CC2=C(C=C1)CNC2 52281 [1,1,0,0,0,0|1,0,1]=4 769 B11R2.36 OC1=CC2=C(C=C1)CNC2 52301 [1,1,0,0,0,0|1,0,1]=4 770 B11R2.36 OC1=CC2=C(C=C1)OCC2 24188 [1,1,0,0,0,0|2,0,0]=4 771 B11R2.36 OC1=CC2=C(C=C1)SC=C2 59802 [1,1,0,0,0,0|2,0,0]=4 772 B11R2.36 OC1=CC2=C(C=CO2)C=C1 84605 [1,1,0,0,0,0|2,0,0]=4 773 B11R2.106 BrC1=C2C=NOC2=CC=C1 27210 [1,1,0,0,0,0|2,0,0]=4 774 B11R2.106 BrC1=C2CCCC2=CC=C1 38090 [1,1,0,0,0,0|1,0,1]=4 775 B11R2.106 BrC1=C2ON=CC2=CC=C1 38088 [1,1,0,0,0,0|2,0,0]=4 776 B11R2.106 CC1=C2CC=CC2=CC=C1 Y10332 [1,1,0,0,0,0|1,0,0]=3 777 B11R2.106 CC1=C2CCCC2=CC=C1 Y11654 [1,1,0,0,0,0|1,0,1]=4 778 B11R2.106 CC1=CC=CC2=C1C=CS2 C72689 [1,1,0,0,0,0|2,0,0]=4 779 B11R2.106 ClC1=C2CC=CC2=CC=C1 C75442 [1,1,0,0,0,0|1,0,0]=3 780 B11R2.106 ClC1=C2CCOC2=CC=C1 52389 [1,1,0,0,0,0|2,0,0]=4 781 B11R2.106 ClC1=C2CNCC2=CC=C1 SC1314 [1,1,0,0,0,0|1,0,1]=4 782 B11R2.106 ClC1=C2OC=CC2=CC=C1 AC5711 [1,1,0,0,0,0|2,0,0]=4 783 B11R2.106 ClC1=C2SC=CC2=CC=C1 82930 [1,1,0,0,0,0|2,0,0]=4 784 B11R2.106 FC1=C2CCCC2=CC=C1 Y12594 [1,1,0,0,0,0|1,0,1]=4 785 B11R2.106 FC1=C2OC=CC2=CC=C1 52893 [1,1,0,0,0,0|2,0,0]=4 786 B11R2.106 FC1=C2SC=CC2=CC=C1 F13949 [1,1,0,0,0,0|2,0,0]=4 787 B11R2.106 FC1=CC=CC2=C1C=CS2 70408 [1,1,0,0,0,0|2,0,0]=4 788 B11R2.106 FC1=CC=CC2=NON=C12 FD10636 [1,1,0,0,0,0|2,0,0]=4 789 B11R2.106 IC1=C2C=NNC2=CC=C1 P10510 [1,1,0,0,0,0|2,0,0]=4 790 B11R2.106 IC1=C2CCCC2=CC=C1 N13267 [1,1,0,0,0,0|1,0,1]=4 791 B11R2.106 IC1=C2NC=CC2=CC=C1 94618 [1,1,0,0,0,0|2,0,0]=4 792 B11R2.106 NC1=C2NCCC2=CC=C1 AC5784 [1,1,0,0,0,0|2,0,0]=4 793 B11R2.106 NC1=C2OC=CC2=CC=C1 F20181 [1,1,0,0,0,0|2,0,0]=4 794 B11R2.106 NC1=C2OC=CC2=CC=C1 P16876 [1,1,0,0,0,0|2,0,0]=4 795 B11R2.106 NC1=C2OCCC2=CC=C1 Y10505 [1,1,0,0,0,0|2,0,0]=4 796 B11R2.106 NC1=CC=CC2=C1C=CO2 52950 [1,1,0,0,0,0|2,0,0]=4 797 B11R2.106 NC1=CC=CC2=C1C=CS2 51426 [1,1,0,0,0,0|2,0,0]=4 798 B11R2.106 NC1=CC=CC2=C1C=CS2 Y11369 [1,1,0,0,0,0|2,0,0]=4 799 B11R2.106 NC1=CC=CC2=C1CCN2 O11831 [1,1,0,0,0,0|2,0,0]=4 800 B11R2.106 NC1=CC=CC2=C1CNC2 62888 [1,1,0,0,0,0|1,0,1]=4 801 B11R2.106 NC1=CC=CC2=C1CNC2 C90573 [1,1,0,0,0,0|1,0,1]=4 802 B11R2.106 OC1=C2CCNC2=CC=C1 76585 [1,1,0,0,0,0|2,0,0]=4 803 B11R2.106 OC1=C2NCCC2=CC=C1 D82764 [1,1,0,0,0,0|2,0,0]=4 804 B11R2.106 OC1=C2OC=CC2=CC=C1 70790 [1,1,0,0,0,0|2,0,0]=4 805 B11R2.60 CN1C=CC2=C1CCC2=O P17572 [0,1,0,0,1,0|2,0,0]=4 806 B11R2.66 O=C1NCC2=C1SC(Br)=C2 94083 [0,1,0,0,1,0|2,0,0]=4 807 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [0,1,0,0,0,1|1,0,0]=3 808 B13R2.32 O=C1NC=C2C=CC=CC2=C1Br P20049 [0,1,0,0,0,1|1,0,1]=4 809 B13R2.155 CC1=CC2=C(C=C1)CCC(=O)C2 N10443 [0,1,0,0,0,1|1,0,0]=3 810 B13R2.155 NC1=CC2=C(C=CC(=O)N2)C=C1 65843 [0,1,0,0,0,1|1,0,1]=4 811 B13R2.155 O=C1C=C2C=C(Cl)C=CC2=CN1 C75412 [0,1,0,0,0,1|1,0,1]=4 812 B13R2.155 O=C1C=CC2=C(C=C(Cl)C=C2)O1 AC2173 [0,1,0,0,0,1|1,0,1]=4 813 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)N1 P11961 [0,1,0,0,0,1|1,0,1]=4 814 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 52463 [0,1,0,0,0,1|2,0,0]=4 815 B13R2.155 O=C1C=NC2=C(C=C(Cl)C=C2)N1 57586 [0,1,0,0,0,1|2,0,0]=4 816 B13R2.155 O=C1C=NC2=C(C=C(F)C=C2)N1 D85368 [0,1,0,0,0,1|2,0,0]=4 817 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 F53175 [0,1,0,0,0,1|1,0,0]=3 818 B13R2.155 O=C1CCC2=C(C=C(Br)C=C2)C1 94666 [0,1,0,0,0,1|1,0,0]=3 819 B13R2.155 O=C1CCC2=C(C=C(Cl)C=C2)N1 69684 [0,1,0,0,0,1|1,0,0]=3 820 B13R2.155 O=C1CCC2=C(C=C(F)C=C2)N1 Y11363 [0,1,0,0,0,1|1,0,0]=3 821 B13R2.155 O=C1CCC2=C(C=C(O)C=C2)C1 24842 [0,1,0,0,0,1|1,0,0]=3 822 B13R2.155 O=C1CNC2=C(C=C(Cl)C=C2)N1 58140 [0,1,0,0,0,1|2,0,0]=4 823 B13R2.155 O=C1CNC2=C(C=C(F)C=C2)N1 A12734 [0,1,0,0,0,1|2,0,0]=4 824 B13R2.155 O=C1CSC2=C(C=C(Br)C=C2)N1 77078 [0,1,0,0,0,1|2,0,0]=4 825 B13R2.155 O=C1CSC2=C(C=C(F)C=C2)N1 A12489 [0,1,0,0,0,1|2,0,0]=4 826 B13R2.155 O=C1NC2=C(C=CC(Cl)=C2)CO1 AC5584 [0,1,0,0,0,1|0,0,0]=2 827 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 AC5320 [0,1,0,0,0,1|1,0,0]=3 828 B13R2.162 CC1=CC=CC2=C1NC(=O)CO2 AC5872 [0,1,0,0,0,1|2,0,0]=4 829 B13R2.162 CC1=CC=CC2=C1NC(=O)OC2 AC4546 [0,1,0,0,0,1|0,0,0]=2 830 B13R2.162 O=C1C=CC2=CC=CC(F)=C2N1 C76281 [0,1,0,0,0,1|1,0,1]=4 831 B13R2.162 O=C1C=CC2=CC=CC(O)=C2O1 F19924 [0,1,0,0,0,1|1,0,1]=4 832 B13R2.162 O=C1C=NC2=CC=CC(Br)=C2N1 76432 [0,1,0,0,0,1|2,0,0]=4 833 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 F12566 [0,1,0,0,0,1|1,0,0]=3 834 B13R2.162 O=C1CCC2=CC=CC(Br)=C2N1 56813 [0,1,0,0,0,1|1,0,0]=3 835 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2C1 Y10481 [0,1,0,0,0,1|1,0,0]=3 836 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2N1 F16859 [0,1,0,0,0,1|1,0,0]=3 837 B13R2.162 O=C1CCC2=CC=CC(F)=C2C1 N10442 [0,1,0,0,0,1|1,0,0]=3 838 B13R2.162 O=C1CCC2=CC=CC(F)=C2N1 69687 [0,1,0,0,0,1|1,0,0]=3 839 B13R2.162 O=C1CCC2=CC=CC(O)=C2N1 C91134 [0,1,0,0,0,1|1,0,0]=3 840 B13R2.162 O=C1COC2=CC=CC(Cl)=C2N1 90446 [0,1,0,0,0,1|2,0,0]=4 841 B13R2.162 O=C1COC2=CC=CC(F)=C2N1 90424 [0,1,0,0,0,1|2,0,0]=4 842 B13R2.162 O=C1NC2=C(I)C=CC=C2CO1 81138 [0,1,0,0,0,1|0,0,0]=2 843 B13R2.328 C=C1OC(=O)NC2=C1C=CC=C2 A10123 [0,1,0,0,0,1|0,0,1]=3 844 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 63779 [0,1,0,0,0,1|1,0,1]=4 845 B13R2.328 CN1CC(=O)NC2=C1C=CC=C2 87043 [0,1,0,0,0,1|2,0,0]=4 846 B13R2.328 NC1=CC(=O)NC2=C1C=CC=C2 35478 [0,1,0,0,0,1|1,0,1]=4 847 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)N1 F52101 [0,1,0,0,0,1|1,0,1]=4 848 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)N1 51680 [0,1,0,0,0,1|1,0,1]=4 849 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Y10382 [0,1,0,0,0,1|1,0,1]=4 850 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O 38076 [0,1,0,0,0,1|2,0,0]=4 851 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O 79239 [0,1,0,0,0,1|1,0,1]=4 852 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O FD7388 [0,1,0,0,0,1|1,0,0]=3 853 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1Br F10206 [0,1,0,0,0,1|1,0,1]=4 854 B13R2.369 O=C1NC2=C(C=CC=C2)C=C1O 67380 [0,1,0,0,0,1|1,0,1]=4 855 B13R2.369 O=C1NC2=C(C=CC=C2)C[C@@H]1O W17609 [0,1,0,0,0,1|1,0,0]=3 856 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl 38522 [0,1,0,0,0,1|2,0,0]=4 857 B13R2.369 O=C1OC2=C(C=CC=C2)C=C1Br 57054 [0,1,0,0,0,1|1,0,1]=4 858 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl W10453 [0,1,0,0,0,1|2,0,0]=4 859 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1O 98636 [0,1,0,0,0,1|2,0,0]=4 860 B13R2.3683 CC1=CC2=C(C=C1)CC(=O)CC2 Y11712 [0,1,0,0,0,1|1,0,0]=3 861 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)OC2 AC6638 [0,1,0,0,0,1|0,0,0]=2 862 B13R2.3683 CC1=CC2=C(C=C1)OC(=O)C=C2 AC7838 [0,1,0,0,0,1|1,0,1]=4 863 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=N2 W17152 [0,1,0,0,0,1|2,0,0]=4 864 B13R2.3683 O=C1C=C2C=CC(Cl)=CC2=CN1 O11650 [0,1,0,0,0,1|1,0,1]=4 865 B13R2.3683 O=C1C=CC2=C(C=CC(Cl)=C2)O1 AC5388 [0,1,0,0,0,1|1,0,1]=4 866 B13R2.3683 O=C1CC2=C(C=C(Br)C=C2)CN1 55345 [0,1,0,0,0,1|1,0,0]=3 867 B13R2.3683 O=C1CC2=C(C=C(O)C=C2)CN1 AC2180 [0,1,0,0,0,1|1,0,0]=3 868 B13R2.3683 O=C1CCC2=C(C=CC(=O)N2)C1 84559 [0,1,0,0,0,1|2,0,0]=4 869 B13R2.3683 O=C1CCC2=C(C=CC(Br)=C2)O1 Y10639 [0,1,0,0,0,1|1,0,0]=3 870 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)N1 90198 [0,1,0,0,0,1|1,0,0]=3 871 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 25475 [0,1,0,0,0,1|1,0,0]=3 872 B13R2.3683 O=C1CCC2=C(C=CC(I)=C2)N1 62820 [0,1,0,0,0,1|1,0,0]=3 873 B13R2.3683 O=C1CNC2=C(C=CC(Br)=C2)N1 AC2129 [0,1,0,0,0,1|2,0,0]=4 874 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 69009 [0,1,0,0,0,1|2,0,0]=4 875 B13R2.3683 O=C1NCC2=C(C=CC(Br)=C2)N1 C71976 [0,1,0,0,0,1|1,0,0]=3 876 B13R2.5179 CC1=CC=CC2=C1CCC(=O)N2 D72057 [0,1,0,0,0,1|1,0,0]=3 877 B13R2.5179 NC1=CC=CC2=C1C=CC(=O)N2 69226 [0,1,0,0,0,1|1,0,1]=4 878 B13R2.5179 NC1=CC=CC2=C1CCC(=O)N2 80979 [0,1,0,0,0,1|1,0,0]=3 879 B13R2.5179 NC1=CC=CC2=C1N=CC(=O)N2 D82625 [0,1,0,0,0,1|2,0,0]=4 880 B13R2.5179 O=C1C=CC2=C(Br)C=CC=C2N1 69227 [0,1,0,0,0,1|1,0,1]=4 881 B13R2.5179 O=C1C=CC2=C(C=CC=C2O)N1 30613 [0,1,0,0,0,1|1,0,1]=4 882 B13R2.5179 O=C1CC2=CC=CC(Br)=C2CN1 F53178 [0,1,0,0,0,1|1,0,0]=3 883 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 N10441 [0,1,0,0,0,1|1,0,0]=3 884 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2N1 26384 [0,1,0,0,0,1|1,0,0]=3 885 B13R2.5179 O=C1CCC2=C(C=CC=C2O)N1 28515 [0,1,0,0,0,1|1,0,0]=3 886 B13R2.5179 O=C1CCC2=C(Cl)C=CC=C2C1 S11508 [0,1,0,0,0,1|1,0,0]=3 887 B13R2.5179 O=C1CCC2=C(F)C=CN=C2N1 P16126 [0,1,0,0,0,1|2,0,0]=4 888 B13R2.5179 O=C1COC2=C(F)C=CC=C2N1 C15993 [0,1,0,0,0,1|2,0,0]=4 889 B13R2.5179 O=C1N=CC2=C(Cl)C=CC=C2N1 F15806 [0,1,0,0,0,1|1,0,1]=4 890 B13R2.5179 O=C1NC2=CC=CC(Br)=C2CO1 94051 [0,1,0,0,0,1|0,0,0]=2 891 B13R2.5179 O=C1NC2=CC=CC(F)=C2CO1 AC4758 [0,1,0,0,0,1|0,0,0]=2 892 B13R2.342 CC1=CC=CC2=C1CCCC2=O N10511 [0,1,0,0,0,1|1,0,0]=3 893 B13R2.342 CC1=CC=CC2=C1CCNC2=O 28056 [0,1,0,0,0,1|1,0,0]=3 894 B13R2.342 NC1=CC=CC2=C1OCCC2=O N13092 [0,1,0,0,0,1|1,0,0]=3 895 B13R2.342 O=C1CCCC2=C(I)C=CC=C12 F16988 [0,1,0,0,0,1|1,0,0]=3 896 B13R2.342 O=C1CCNC2=C(I)C=CC=C12 C90451 [0,1,0,0,0,1|1,0,0]=3 897 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 I11476 [0,1,0,0,0,1|1,0,0]=3 898 B13R2.342 O=C1CCOC2=C1C=CC=C2O N14376 [0,1,0,0,0,1|1,0,0]=3 899 B13R2.342 O=C1CCSC2=C(Br)C=CC=C12 I11420 [0,1,0,0,0,1|1,0,0]=3 900 B13R2.342 O=C1NC=CC2=C(Cl)C=CC=C12 69136 [0,1,0,0,0,1|1,0,1]=4 901 B13R2.342 O=C1NC=NC2=C(F)C=CC=C12 82451 [0,1,0,0,0,1|1,0,1]=4 902 B13R2.342 O=C1NCCC2=C(F)C=CC=C12 C74186 [0,1,0,0,0,1|1,0,0]=3 903 B13R2.342 O=C1NCCC2=C1C=CC=C2O F11844 [0,1,0,0,0,1|1,0,0]=3 904 B13R2.342 O=C1OC=CC2=C(Br)C=CC=C12 32120 [0,1,0,0,0,1|0,0,1]=3 905 B13R2.371 NC1=CNC(=O)C2=C1C=CC=C2 CS1719 [0,1,0,0,0,1|1,0,1]=4 906 B13R2.371 NC1=CNC(=O)C2=C1C=CC=C2 CS1941 [0,1,0,0,0,1|1,0,1]=4 907 B13R2.371 N[C@H]1COC(=O)C2=C1C=CC=C2 Y11200 [0,1,0,0,0,1|0,0,0]=2 908 B13R2.371 O=C1CC[C@H](O)C2=C1C=CC=C2 70927 [0,1,0,0,0,1|1,0,0]=3 909 B13R2.371 O=C1CNC(=O)C2=C1C=CC=C2 W18450 [0,1,0,0,0,1|1,0,0]=3 910 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C75667 [0,1,0,0,0,1|0,0,0]=2 911 B13R2.371 O=C1NC=C(O)C2=C1C=CC=C2 54693 [0,1,0,0,0,1|1,0,1]=4 912 B13R2.371 O=C1NN=C(Br)C2=C1C=CC=C2 F52610 [0,1,0,0,0,1|1,0,1]=4 913 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 C75091 [0,1,0,0,0,1|2,0,0]=4 914 B13R2.1613 O=C[C@@H]1CCCC2=C1C=CC=C2 F13198 [0,1,0,0,0,1|1,0,1]=4 915 B13R2.1613 O\N=C1/CCOC2=C1C=CC=C2 W11532 [0,1,0,0,0,1|1,0,1]=4 916 B13R2.4818 CC1=CC=CC2=C1C(=O)CCO2 I11462 [0,1,0,0,0,1|1,0,0]=3 917 B13R2.4818 CC1=CC=CC2=C1C(=O)NCC2 W15862 [0,1,0,0,0,1|1,0,0]=3 918 B13R2.4818 NC1=C2C(=O)CCCC2=CC=C1 W13328 [0,1,0,0,0,1|1,0,0]=3 919 B13R2.4818 O=C1CCCC2=CC=CC(Br)=C12 56817 [0,1,0,0,0,1|1,0,0]=3 920 B13R2.4818 O=C1CCCC2=CC=CC(Cl)=C12 58275 [0,1,0,0,0,1|1,0,0]=3 921 B13R2.4818 O=C1CCCC2=CC=CC(O)=C12 F15628 [0,1,0,0,0,1|1,0,0]=3 922 B13R2.4818 O=C1CCNC2=CC=CC(Br)=C12 80202 [0,1,0,0,0,1|1,0,0]=3 923 B13R2.4818 O=C1CCNC2=CC=CC(Cl)=C12 Y10805 [0,1,0,0,0,1|1,0,0]=3 924 B13R2.4818 O=C1CCOC2=CC=CC(Br)=C12 I11474 [0,1,0,0,0,1|1,0,0]=3 925 B13R2.4818 O=C1CCOC2=CC=CC(Cl)=C12 Y12176 [0,1,0,0,0,1|1,0,0]=3 926 B13R2.4818 O=C1CCOC2=CC=CC(F)=C12 29683 [0,1,0,0,0,1|1,0,0]=3 927 B13R2.4818 O=C1NC=CC2=CC=CC(Br)=C12 26866 [0,1,0,0,0,1|1,0,1]=4 928 B13R2.4818 O=C1NC=CC2=CC=CC(F)=C12 F17625 [0,1,0,0,0,1|1,0,1]=4 929 B13R2.4818 O=C1NN=CC2=CC=CC(Cl)=C12 F52960 [0,1,0,0,0,1|1,0,1]=4 930 B13R2.9 CC1=CC=CC2=C1NN=C2C=O 23812 [0,2,0,0,0,0|2,0,0]=4 931 B13R2.9 O=CC1=CNC2=C(F)C=CC=C12 71424 [0,2,0,0,0,0|2,0,0]=4 932 B13R2.9 O=CC1=NNC2=C(Cl)C=CC=C12 76404 [0,2,0,0,0,0|2,0,0]=4 933 B13R2.72 CC(=O)C1=NNC2=C1C=CC=C2 50300 [0,2,0,0,0,0|2,0,0]=4 934 B13R2.72 NC(=O)[C@@H]1NCC2=C1C=CC=C2 D84861 [0,2,0,0,0,0|1,0,1]=4 935 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F31040 [0,2,0,0,0,0|1,0,1]=4 936 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 F52104 [0,2,0,0,0,0|1,0,1]=4 937 B13R2.72 O=C(O)[C@@H]1NCC2=C1C=CC=C2 Y10427 [0,2,0,0,0,0|1,0,1]=4 938 B13R2.72 O=[N+]([O-])C1=CNC2=C1C=CC=C2 O11037 [0,2,0,0,0,0|2,0,0]=4 939 B13R2.135 CN1N=C2C=CC=CC2=C1C=O 30208 [0,2,0,0,0,0|2,0,0]=4 940 B13R2.135 O=CC1=C(Br)NC2=C1C=CC=C2 W10804 [0,2,0,0,0,0|2,0,0]=4 941 B13R2.662 O=CC1=NNC2=C1C=CC(Br)=C2 25390 [0,2,0,0,0,0|2,0,0]=4 942 B13R2.662 O=CC1=NNC2=C1C=CC(Cl)=C2 76355 [0,2,0,0,0,0|2,0,0]=4 943 B13R2.2091 O=CC1=CNC2=CC=CC(O)=C12 82140 [0,2,0,0,0,0|2,0,0]=4 944 B13R2.2136 CC1=CC2=C(C=C1)CC\C2=N\O W12357 [0,2,0,0,0,0|1,0,1]=4 945 B13R2.2136 O=CC1=CNC2=C1C=C(I)C=C2 F15909 [0,2,0,0,0,0|2,0,0]=4 946 B13R2.2136 O=CC1=COC2=C1C=C(F)C=C2 P16440 [0,2,0,0,0,0|2,0,0]=4 947 B13R2.2136 O=CC1=CSC2=C1C=C(Br)C=C2 D81728 [0,2,0,0,0,0|2,0,0]=4 948 B13R2.2136 O=CC1=CSC2=C1C=C(Cl)C=C2 W18853 [0,2,0,0,0,0|2,0,0]=4 949 B13R2.2136 O=CC1=NNC2=C1C=C(F)C=C2 26367 [0,2,0,0,0,0|2,0,0]=4 950 B13R2.243 CC1(C)NC2=C(C=CC=C2)C1=O N10640 [0,2,0,0,0,0|2,0,0]=4 951 B13R2.3028 CN1CC2=C(C=C(N)C=C2)C1=O 35777 [0,2,0,0,0,0|1,0,0]=3 952 B13R2.3028 CN1CC2=C(C=C(O)C=C2)C1=O C72365 [0,2,0,0,0,0|1,0,0]=3 953 B13R2.3028 C[C@H]1CC2=C(C=C(Br)C=C2)C1=O N12524 [0,2,0,0,0,0|1,0,0]=3 954 B13R2.3028 C[C@H]1CC2=C(C=C(Cl)C=C2)C1=O Y11349 [0,2,0,0,0,0|1,0,0]=3 955 B13R2.4825 CN1CC2=C(Br)C=CC=C2C1=O 24291 [0,2,0,0,0,0|1,0,0]=3 956 B13R2.4825 CN1CC2=C(C=CC=C2N)C1=O P12614 [0,2,0,0,0,0|1,0,0]=3 957 B13R2.4825 C[C@H]1CC2=C(Br)C=CC=C2C1=O F19995 [0,2,0,0,0,0|1,0,0]=3 958 B13R2.4825 NC1=CC=CC2=C1NC(=O)C2=O AC5802 [0,2,0,0,0,0|2,0,0]=4 959 B13R2.4825 O=C1NC2=C(C=CC=C2O)C1=O AC3054 [0,2,0,0,0,0|2,0,0]=4 960 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 82428 [0,2,0,0,0,0|2,0,0]=4 961 B13R2.4856 CN1CC2=CC=CC(Br)=C2C1=O 72566 [0,2,0,0,0,0|1,0,0]=3 962 B13R2.4856 CN1CC2=CC=CC(N)=C2C1=O P11531 [0,2,0,0,0,0|1,0,0]=3 963 B13R2.4856 O=C1NC2=CC=CC(F)=C2C1=O 83458 [0,2,0,0,0,0|2,0,0]=4 964 B13R2.5190 CC1=CC2=C(C=C1)C(=O)C(=O)N2 30937 [0,2,0,0,0,0|2,0,0]=4 965 B13R2.5190 CN1CC2=C(C=CC(Br)=C2)C1=O 82186 [0,2,0,0,0,0|1,0,0]=3 966 B13R2.5190 CN1CC2=CC(Br)=CN=C2C1=O W10467 [0,2,0,0,0,0|2,0,0]=4 967 B13R2.5190 C[C@H]1CC2=C(C=CC(Br)=C2)C1=O F12673 [0,2,0,0,0,0|1,0,0]=3 968 B13R2.669 COC1=CC2=C(C=C1)COC2=O N11857 [0,2,0,0,0,0|0,0,0]=2 969 B13R2.669 COC1=CC2=C(C=C1)OCC2=O P16854 [0,2,0,0,0,0|2,0,0]=4 970 B13R2.669 CSC1=CC2=C(C=C1)CCC2=O A12032 [0,2,0,0,0,0|1,0,0]=3 971 B13R2.669 N#CC1=CC2=C(C=C1)CCC2=O 83495 [0,2,0,0,0,0|1,0,0]=3 972 B13R2.669 N#CC1=CC2=C(C=C1)CNC2=O FD13077 [0,2,0,0,0,0|1,0,0]=3 973 B13R2.669 N#CC1=CC2=C(C=C1)COC2=O O11042 [0,2,0,0,0,0|0,0,0]=2 974 B13R2.669 N#CC1=CC2=C(C=C1)OCC2=O P16855 [0,2,0,0,0,0|2,0,0]=4 975 B13R2.669 O=C1CCC2=C1C=C(CO)C=C2 C73687 [0,2,0,0,0,0|1,0,0]=3 976 B13R2.669 O=C1OCC2=C1C=C(CBr)C=C2 F13870 [0,2,0,0,0,0|0,0,0]=2 977 B13R2.669 O=CC1=CC2=C(C=C1)CNC2=O C10732 [0,2,0,0,0,0|1,0,0]=3 978 B13R2.3742 CC1=C2CCC(=O)C2=CC(Br)=C1 F52764 [0,2,0,0,0,0|1,0,0]=3 979 B13R2.3742 CC1=C2CCC(=O)C2=CC(Cl)=C1 N10836 [0,2,0,0,0,0|1,0,0]=3 980 B13R2.3742 CC1=CC(Br)=C2CCC(=O)C2=C1 Y10463 [0,2,0,0,0,0|1,0,0]=3 981 B13R2.3742 CC1=CC(Cl)=NC2=C1CCC2=O C76377 [0,2,0,0,0,0|2,0,0]=4 982 B13R2.3742 CC1=CC(F)=C2CCC(=O)C2=C1 F52769 [0,2,0,0,0,0|1,0,0]=3 983 B13R2.3742 O=C1CCC2=C(Br)C=C(Br)C=C12 N13020 [0,2,0,0,0,0|1,0,0]=3 984 B13R2.3742 O=C1CCC2=C(Br)C=C(Cl)C=C12 F52761 [0,2,0,0,0,0|1,0,0]=3 985 B13R2.3742 O=C1CCC2=C(Br)C=C(F)C=C12 20121 [0,2,0,0,0,0|1,0,0]=3 986 B13R2.3742 O=C1CCC2=C(Cl)C=C(Cl)C=C12 F52750 [0,2,0,0,0,0|1,0,0]=3 987 B13R2.3742 O=C1CCC2=C(F)C=C(F)C=C12 Y10204 [0,2,0,0,0,0|1,0,0]=3 988 B13R2.3742 O=C1NC(=O)C2=C(N1)C(=O)OC2 59860 [0,2,0,0,0,0|2,0,0]=4 989 B13R2.3742 O=C1NCC2=C(Br)C=C(O)C=C12 36469 [0,2,0,0,0,0|1,0,0]=3 990 B13R2.3742 O=C1NCC2=C(Cl)C=C(Cl)C=C12 F18002 [0,2,0,0,0,0|1,0,0]=3 991 B13R2.3742 O=C1OCC2=C(Cl)N=C(Cl)N=C12 59861 [0,2,0,0,0,0|2,0,0]=4 992 B13R2.3790 CC1=C(Br)C2=C(C=C1)CCC2=O Y10801 [0,2,0,0,0,0|1,0,0]=3 993 B13R2.3790 CC1=C(Br)C=CC2=C1C(=O)CC2 F52805 [0,2,0,0,0,0|1,0,0]=3 994 B13R2.3790 CC1=C(Br)C=CC2=C1C(=O)NC2 12062 [0,2,0,0,0,0|1,0,0]=3 995 B13R2.3790 CC1=C(Cl)C=CC2=C1C(=O)CC2 N10660 [0,2,0,0,0,0|1,0,0]=3 996 B13R2.3790 CC1=CC=C2CCC(=O)C2=C1C I10946 [0,2,0,0,0,0|1,0,0]=3 997 B13R2.3790 NC1=C(Br)C2=C(C=C1)CCC2=O I11673 [0,2,0,0,0,0|1,0,0]=3 998 B13R2.3790 O=C1CCC2=C1C(Br)=C(Cl)C=C2 Y13066 [0,2,0,0,0,0|1,0,0]=3 999 B13R2.3790 O=C1CCC2=C1C(Br)=C(F)C=C2 I10801 [0,2,0,0,0,0|1,0,0]=3 1000 B13R2.3790 O=C1CCC2=C1C(Cl)=C(Br)C=C2 Y10966 [0,2,0,0,0,0|1,0,0]=3 1001 B13R2.3790 O=C1CCC2=C1C(Cl)=C(Cl)C=C2 Y12587 [0,2,0,0,0,0|1,0,0]=3 1002 B13R2.3790 O=C1CCC2=C1C(Cl)=C(F)C=C2 D83682 [0,2,0,0,0,0|1,0,0]=3 1003 B13R2.3790 O=C1CCC2=C1C(F)=C(Cl)C=C2 F52756 [0,2,0,0,0,0|1,0,0]=3 1004 B13R2.3791 O=S1(=O)NCC2=C1C=C(Br)C=C2 71933 [0,2,0,0,0,0|2,0,0]=4 1005 B13R2.5187 C[C@H]1CC(=O)C2=C1C=C(F)C=C2 AB22587 [0,2,0,0,0,0|1,0,0]=3 1006 B13R2.5187 O=C1NC(=O)C2=C1C=CC(O)=C2 C75379 [0,2,0,0,0,0|1,0,1]=4 1007 B13R2.5187 O=C1N[C@@H](O)C2=C1C=CC(Br)=C2 C90504 [0,2,0,0,0,0|1,0,0]=3 1008 B13R2.5187 O=C1OC(=O)C2=C1C=CC(O)=C2 C10538 [0,2,0,0,0,0|0,0,1]=3 1009 B13R2.11634 CC1=C(Br)C=C2C(=O)CCC2=C1 N10659 [0,2,0,0,0,0|1,0,0]=3 1010 B13R2.11634 CC1=C(Br)C=C2CCC(=O)C2=C1 I10789 [0,2,0,0,0,0|1,0,0]=3 1011 B13R2.11634 CC1=C(Cl)C=C2C(=O)CCC2=C1 N10623 [0,2,0,0,0,0|1,0,0]=3 1012 B13R2.11634 NC1=C(Br)C=C2C(=O)CCC2=C1 96517 [0,2,0,0,0,0|1,0,0]=3 1013 B13R2.11634 NC1=C(Br)C=C2CCC(=O)C2=C1 F52814 [0,2,0,0,0,0|1,0,0]=3 1014 B13R2.11634 O=C1CCC2=C1C=C(O)C(O)=C2 Y10508 [0,2,0,0,0,0|1,0,0]=3 1015 B13R2.11634 O=C1CCC2=CC(Br)=C(Cl)C=C12 F52762 [0,2,0,0,0,0|1,0,0]=3 1016 B13R2.11634 O=C1CCC2=CC(Br)=C(F)C=C12 I10774 [0,2,0,0,0,0|1,0,0]=3 1017 B13R2.11634 O=C1CCC2=CC(Cl)=C(Br)C=C12 I10792 [0,2,0,0,0,0|1,0,0]=3 1018 B13R2.11634 O=C1CCC2=CC(Cl)=C(F)C=C12 Y10809 [0,2,0,0,0,0|1,0,0]=3 1019 B13R2.11634 O=C1CCC2=CC(F)=C(Br)C=C12 22964 [0,2,0,0,0,0|1,0,0]=3 1020 B13R2.11634 O=C1CCC2=CC(F)=C(Cl)C=C12 I10760 [0,2,0,0,0,0|1,0,0]=3 1021 B13R2.11634 O=C1COC2=CC(Cl)=C(Cl)C=C12 D97045 [0,2,0,0,0,0|2,0,0]=4 1022 B13R2.11634 O=C1NCC2=CC(F)=C(F)C=C12 C13806 [0,2,0,0,0,0|1,0,0]=3 1023 B13R2.573 COC1=CC=CC2=C1CNC2=O 82149 [0,2,0,0,0,0|1,0,0]=3 1024 B13R2.573 COC1=CC=CC2=C1OCC2=O F13956 [0,2,0,0,0,0|2,0,0]=4 1025 B13R2.4857 NC1=C2C(=O)OC(=O)C2=CC=C1 W18402 [0,2,0,0,0,0|0,0,1]=3 1026 B13R2.4857 O=C1N[C@@H](O)C2=CC=CC(Br)=C12 AB10131 [0,2,0,0,0,0|1,0,0]=3 1027 B13R2.4857 O=C1OC(=O)C2=C(I)C=CC=C12 78055 [0,2,0,0,0,0|0,0,1]=3 1028 B13R2.4857 O=C1O[C@H](O)C2=CC=CC(Cl)=C12 57830 [0,2,0,0,0,0|0,0,0]=2 1029 B13R2.5151 CC1=C2C(=O)CCC2=C(Br)C=C1 I10784 [0,2,0,0,0,0|1,0,0]=3 1030 B13R2.5151 CC1=C2CCC(=O)C2=C(F)C=C1 F16938 [0,2,0,0,0,0|1,0,0]=3 1031 B13R2.5151 CC1=C2COC(=O)C2=C(C)C=C1 D93511 [0,2,0,0,0,0|0,0,0]=2 1032 B13R2.5151 O=C1CCC2=C(Br)C=CC(Br)=C12 C14050 [0,2,0,0,0,0|1,0,0]=3 1033 B13R2.5151 O=C1CCC2=C(Br)C=CC(O)=C12 Y11690 [0,2,0,0,0,0|1,0,0]=3 1034 B13R2.5151 O=C1CCC2=C(Cl)C=CC(Br)=C12 F52757 [0,2,0,0,0,0|1,0,0]=3 1035 B13R2.5151 O=C1CCC2=C(Cl)C=CC(Cl)=C12 F52751 [0,2,0,0,0,0|1,0,0]=3 1036 B13R2.5151 O=C1CCC2=C(Cl)C=CC(F)=C12 F52755 [0,2,0,0,0,0|1,0,0]=3 1037 B13R2.5151 O=C1CCC2=C(F)C=CC(Br)=C12 I10800 [0,2,0,0,0,0|1,0,0]=3 1038 B13R2.5151 O=C1CCC2=C(F)C=CC(F)=C12 I10941 [0,2,0,0,0,0|1,0,0]=3 1039 B13R2.5151 O=C1CCC2=C(F)C=CC(O)=C12 Y10205 [0,2,0,0,0,0|1,0,0]=3 1040 B13R2.5180 CC1=C(Br)C2=C(C=C1)C(=O)CC2 Y10955 [0,2,0,0,0,0|1,0,0]=3 1041 B13R2.5180 CC1=C(Br)C=CC2=C1CCC2=O I10788 [0,2,0,0,0,0|1,0,0]=3 1042 B13R2.5180 CC1=C(Br)C=CC2=C1COC2=O 84984 [0,2,0,0,0,0|0,0,0]=2 1043 B13R2.5180 CC1=C(Cl)C2=C(C=C1)C(=O)CC2 F52800 [0,2,0,0,0,0|1,0,0]=3 1044 B13R2.5180 CC1=C(O)C2=C(C=C1)C(=O)CC2 Y12597 [0,2,0,0,0,0|1,0,0]=3 1045 B13R2.5180 CC1=C(O)C=CC2=C1COC2=O S10489 [0,2,0,0,0,0|0,0,0]=2 1046 B13R2.5180 O=C1CCC2=C1C=CC(Br)=C2Cl N11344 [0,2,0,0,0,0|1,0,0]=3 1047 B13R2.5180 O=C1CCC2=C1C=CC(Br)=C2F N10658 [0,2,0,0,0,0|1,0,0]=3 1048 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2Br Y10391 [0,2,0,0,0,0|1,0,0]=3 1049 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2F 84397 [0,2,0,0,0,0|1,0,0]=3 1050 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2Br N11320 [0,2,0,0,0,0|1,0,0]=3 1051 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2Cl F52754 [0,2,0,0,0,0|1,0,0]=3 1052 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2F 24089 [0,2,0,0,0,0|1,0,0]=3 1053 B13R2.5180 O=C1COC2=C1C=CC(O)=C2O D83569 [0,2,0,0,0,0|2,0,0]=4 1054 B13R2.582 COC1=C2C(=O)COC2=CC=C1 AC6681 [0,2,0,0,0,0|2,0,0]=4 1055 B13R2.582 COC1=C2C(=O)NCC2=CC=C1 F17802 [0,2,0,0,0,0|1,0,0]=3 1056 B13R2.582 COC1=C2C(=O)OCC2=CC=C1 N14311 [0,2,0,0,0,0|0,0,0]=2 1057 B13R2.582 N#CC1=C2C(=O)CCC2=CC=C1 78421 [0,2,0,0,0,0|1,0,0]=3 1058 B13R2.582 O=C1NCC2=CC=CC(CO)=C12 22925 [0,2,0,0,0,0|1,0,0]=3 1059 B13R2.11642 CC1=C2C(=O)CCC2=CC(Br)=C1 F52804 [0,2,0,0,0,0|1,0,0]=3 1060 B13R2.11642 CC1=CC(C)=C2C(=O)CCC2=C1 Y10959 [0,2,0,0,0,0|1,0,0]=3 1061 B13R2.11642 O=C1CCC2=CC(Br)=CC(Br)=C12 61704 [0,2,0,0,0,0|1,0,0]=3 1062 B13R2.11642 O=C1CCC2=CC(Br)=CC(Cl)=C12 F52763 [0,2,0,0,0,0|1,0,0]=3 1063 B13R2.11642 O=C1CCC2=CC(F)=CC(Cl)=C12 F52760 [0,2,0,0,0,0|1,0,0]=3 1064 B13R2.11642 O=C1CCC2=CC(F)=CC(O)=C12 W16445 [0,2,0,0,0,0|1,0,0]=3 1065 B13R2.11642 O=C1CCC2=CC(O)=CC(Cl)=C12 N10562 [0,2,0,0,0,0|1,0,0]=3 1066 B13R2.11642 O=C1CCC2=CC(O)=CC(F)=C12 W16446 [0,2,0,0,0,0|1,0,0]=3 1067 B13R2.11642 O=C1COC2=CC(O)=CC(O)=C12 W18360 [0,2,0,0,0,0|2,0,0]=4 1068 B13R2.11642 O=C1NCC2=CC(Br)=CC(F)=C12 P11491 [0,2,0,0,0,0|1,0,0]=3 1069 B13R2.2130 COC1=CC2=C(C=C1)C(=O)C=C2 N13246 [0,2,0,0,0,0|1,0,1]=4 1070 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 88998 [0,2,0,0,0,0|2,0,0]=4 1071 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 Y10227 [0,2,0,0,0,0|0,0,0]=2 1072 B13R2.2130 COC1=CC2=C(C=C1)C(=O)ON2 W13527 [0,2,0,0,0,0|1,0,0]=3 1073 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)CC2 BL001194 [0,2,0,0,0,0|1,0,0]=3 1074 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 F17813 [0,2,0,0,0,0|1,0,0]=3 1075 B13R2.3108 O=S1(=O)NCC2=C1C=CC(Br)=C2 W10428 [0,2,0,0,0,0|2,0,0]=4 1076 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 37674 [0,2,0,0,0,0|1,0,0]=3 1077 B13R2.12159 CC1=CC(C)(C)C2=C1C=CC=C2 D93282 [0,2,0,0,0,0|2,0,0]=4 1078 B13R2.12159 C[C@@H]1NS(=O)(=O)C2=C1C=CC=C2 AC1801 [0,2,0,0,0,0|2,0,0]=4 1079 B13R2.12159 O=S1(=O)C[C@H](O)C2=C1C=CC=C2 AC5943 [0,2,0,0,0,0|2,0,0]=4 1080 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,0,1,0,1,0|2,0,0]=4 1081 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,0,1,0,1,0|2,0,0]=4 1082 B9R1.11 COC(=O)C1=COC=N1 22956 [0,0,1,0,1,0|2,0,0]=4 1083 B9R1.11 COC(=O)C1=NC=CO1 C74629 [0,0,1,0,1,0|2,0,0]=4 1084 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,0,1,0,1,0|2,0,0]=4 1085 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,0,1,0,1,0|1,0,0]=3 1086 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,0,1,0,1,0|2,0,0]=4 1087 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,0,1,0,1,0|2,0,0]=4 1088 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [0,0,1,0,1,0|2,0,0]=4 1089 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [0,0,1,0,1,0|2,0,0]=4 1090 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,0,1,0,1,0|2,0,0]=4 1091 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [0,0,1,0,1,0|2,0,0]=4 1092 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,0,1,0,1,0|2,0,0]=4 1093 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,0,1,0,0,1|2,0,0]=4 1094 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [0,0,1,0,0,1|2,0,0]=4 1095 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 73446 [0,0,1,0,0,1|2,0,0]=4 1096 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 S10090 [0,0,1,0,0,1|2,0,0]=4 1097 B11R1.86 O=C(O)CC1=CC=CN=C1Br D85902 [0,0,1,0,0,1|2,0,0]=4 1098 B11R1.86 O=C(O)CN1C=CC=CC1=O 71529 [0,0,1,0,0,1|2,0,0]=4 1099 B13R2.163 O=C1CCCC2=CC=CN=C2N1 C76110 [0,0,0,0,0,2|2,0,0]=4 1100 B13R2.163 O=C1CCOC2=C(C=CC=C2)C1 P11804 [0,0,0,0,0,2|1,0,0]=3 1101 B13R2.163 O=C1NCCC2=C(C=CC=C2)N1 F21129 [0,0,0,0,0,2|1,0,0]=3 1102 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 71397 [0,0,0,0,0,2|1,0,0]=3 1103 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 81809 [0,0,0,0,0,2|1,0,0]=3