0 B11R2.10 BrC1=CC2=C(C=CC=N2)S1 73440 [0,0,0,0,0,0|2,1,0]=3 1 B11R2.10 BrC1=CC2=C(C=CN=C2)N1 D84807 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.10 CC1=CC2=CN=CN=C2N1 38251 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.10 CC1=CC2=NC=CN=C2N1 P19354 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 93643 [0,0,0,0,0,0|2,0,2]=4 5 B11R2.10 ClC1=NN2C=CC=CC2=N1 86721 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.10 NC1=NC2=C(C=NC=C2)O1 C72074 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.10 NC1=NN2C=CC=CC2=C1 D96321 [0,0,0,0,0,0|3,0,0]=3 8 B10R2.7 C1=CC2=C(N=N1)NC=C2 P11077 [1,0,0,0,0,0|3,0,0]=4 9 B10R2.7 C1=CC2=NC=CN2C=N1 C74426 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.18 CC1=NN2C=CC=CC2=C1Br 89514 [0,1,0,0,0,0|2,0,0]=3 11 B12R2.32 N#CC1=CC2=C(N=CC=C2)N1 P17159 [0,1,0,0,0,0|2,0,1]=4 12 B12R2.32 NCC1=CC2=C(C=CN=C2)N1 77865 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.32 O=CC1=CC2=C(C=CN=C2)O1 D79839 [0,1,0,0,0,0|1,0,1]=3 14 B12R2.32 O=CC1=CC2=C(C=NC=C2)S1 D79728 [0,1,0,0,0,0|1,1,1]=4 15 B12R2.202 CC1=NC2=CN=CC(Cl)=C2N1 57285 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.202 CC1=NN2C=CC=C(Br)C2=N1 72081 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.202 CN1C=C2C=CC=C(O)C2=N1 D79666 [0,1,0,0,0,0|2,0,0]=3 18 B12R2.202 ClC1=CC=CC2=C1N=C(Br)N2 D83594 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.202 ClC1=CC=NC2=C1NC(I)=C2 P18915 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.202 NC1=CC=CC2=C1N=C(Br)S2 C72477 [0,1,0,0,0,0|2,1,0]=4 21 B12R2.202 NC1=CN2C=CC=C(Br)C2=N1 D77625 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.202 NC1=NN2C(Br)=CC=CC2=C1 P17654 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 C14609 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.606 CC1=CC2=C(C=NC(Cl)=N2)S1 P20389 [0,1,0,0,0,0|2,1,0]=4 25 B12R2.606 CC1=CC2=C(N=C(Cl)C=C2)N1 P20328 [0,1,0,0,0,0|2,0,0]=3 26 B12R2.606 CC1=CC2=C(N=CC(Br)=N2)N1 P13731 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.606 CC1=CC2=CC(Cl)=CN=C2N1 53323 [0,1,0,0,0,0|2,0,0]=3 28 B12R2.606 CC1=CC2=CN=C(Cl)C=C2N1 P18094 [0,1,0,0,0,0|2,0,0]=3 29 B12R2.606 CC1=NC2=CC(Cl)=NC=C2N1 79161 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.606 CN1C=C2C=C(Cl)N=CC2=N1 Y10962 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.606 ClC1=CC2=C(C=CC(Cl)=N2)N1 P10657 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.606 ClC1=CN2N=C(Br)C=C2C=C1 P11500 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.606 FC1=CC2=C(C=C1)SC(Br)=N2 AT22785 [0,1,0,0,0,0|2,1,0]=4 34 B12R2.606 NC1=CC2=C(C=C1)N=C(N)O2 AC4391 [0,1,0,0,0,0|2,0,0]=3 35 B12R2.606 NC1=CC2=NC=C(Br)C=C2S1 D79099 [0,1,0,0,0,0|2,1,0]=4 36 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 F30772 [0,0,0,0,0,1|3,0,0]=4 37 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D79125 [0,0,0,0,0,1|1,0,2]=4 38 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D96708 [0,0,0,0,0,1|1,0,2]=4 39 B12R2.24 C[C@H]1CNC2=C(C=CC=N2)O1 D96433 [0,0,0,0,0,1|1,0,2]=4 40 B12R2.24 ClC1=CC2=CC=CN=C2C=N1 87641 [0,0,0,0,0,1|3,0,0]=4 41 B12R2.24 FC1=CC2=CC=CC=C2C=N1 D82691 [0,0,0,0,0,1|2,0,0]=3 42 B12R2.24 IC1=CC2=CC=NC=C2C=C1 78444 [0,0,0,0,0,1|3,0,0]=4 43 B12R2.24 IC1=CC2=NC=CC=C2N=C1 Y10070 [0,0,0,0,0,1|3,0,0]=4 44 B12R2.24 NC1=CC2=CC=CN=C2C=N1 32379 [0,0,0,0,0,1|3,0,0]=4 45 B12R2.24 NC1=CC2=CC=NC=C2N=C1 C11437 [0,0,0,0,0,1|3,0,0]=4 46 B12R2.24 NC1=CC2=CN=CC=C2C=N1 H11216 [0,0,0,0,0,1|3,0,0]=4 47 B12R2.24 NC1=NC2=CC=NC=C2C=C1 80663 [0,0,0,0,0,1|3,0,0]=4 48 B12R2.24 OC1=CC2=CN=CC=C2C=N1 F13344 [0,0,0,0,0,1|3,0,0]=4 49 B11R1.13 CCCC1=CC=CC(O)=C1O D82476 [0,1,1,0,0,0|0,0,2]=4 50 B11R1.17 CO\N=C\C1=C(N)C=CC=C1 D79908 [0,1,1,0,0,0|2,0,0]=4 51 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 Y10854 [0,1,1,0,0,0|0,0,2]=4 52 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15521 [0,1,1,0,0,0|0,0,2]=4 53 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y10855 [0,1,1,0,0,0|0,0,2]=4 54 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y11162 [0,1,1,0,0,0|0,0,2]=4 55 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [0,1,1,0,0,0|1,0,1]=4 56 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98059 [0,1,1,0,0,0|0,0,2]=4 57 B11R2.1 NC1=C2C=CC=CN2N=C1 C14653 [1,1,0,0,0,0|2,0,0]=4 58 B11R2.1 NC1=CNC2=C1C=NC=C2 AC3430 [1,1,0,0,0,0|2,0,0]=4 59 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11132 [1,1,0,0,0,0|0,0,2]=4 60 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10468 [1,1,0,0,0,0|0,0,2]=4 61 B11R2.36 BrC1=CC2=NSC=C2C=C1 D84732 [1,1,0,0,0,0|2,0,0]=4 62 B11R2.36 BrC1=CN=C2C=COC2=C1 W19090 [1,1,0,0,0,0|1,0,0]=3 63 B11R2.36 CC1=CC2=C(C=C1)SC=N2 AT10317 [1,1,0,0,0,0|1,1,0]=4 64 B11R2.36 ClC1=NC2=C(C=CO2)C=C1 D79572 [1,1,0,0,0,0|1,0,0]=3 65 B11R2.36 ClC1=NC2=C(C=CS2)C=C1 C75923 [1,1,0,0,0,0|1,1,0]=4 66 B11R2.36 ClC1=NC2=C(C=N1)OC=C2 D74521 [1,1,0,0,0,0|2,0,0]=4 67 B11R2.36 ClC1=NC=C2OC=CC2=C1 P19823 [1,1,0,0,0,0|1,0,0]=3 68 B11R2.36 ClC1=NC=C2SC=CC2=C1 P12259 [1,1,0,0,0,0|1,1,0]=4 69 B11R2.36 FC1=NC2=C(C=C1)NC=C2 29257 [1,1,0,0,0,0|2,0,0]=4 70 B11R2.36 NC1=CC2=C(C=C1)C=NS2 AC7467 [1,1,0,0,0,0|1,1,0]=4 71 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51396 [1,1,0,0,0,0|0,1,0]=3 72 B11R2.36 NC1=CN=C2OC=CC2=C1 P11582 [1,1,0,0,0,0|1,0,0]=3 73 B11R2.106 BrC1=C2OC=NC2=CN=C1 C72028 [1,1,0,0,0,0|2,0,0]=4 74 B11R2.106 BrC1=CC=CC2=CC=NN12 F53404 [1,1,0,0,0,0|2,0,0]=4 75 B11R2.106 ClC1=C2C=CCC2=CC=C1 53579 [1,1,0,0,0,0|1,0,0]=3 76 B11R2.106 FC1=C2C=CNC2=CN=C1 P12994 [1,1,0,0,0,0|2,0,0]=4 77 B11R2.106 FC1=C2C=COC2=CC=C1 78779 [1,1,0,0,0,0|0,0,0]=2 78 B11R2.106 FC1=NC=CC2=C1C=CN2 I11120 [1,1,0,0,0,0|2,0,0]=4 79 B11R2.106 IC1=C2C=CNC2=CC=C1 78827 [1,1,0,0,0,0|1,0,0]=3 80 B11R2.106 IC1=C2C=COC2=NC=C1 P16093 [1,1,0,0,0,0|1,0,0]=3 81 B11R2.106 IC1=C2OCCC2=CC=C1 W19055 [1,1,0,0,0,0|0,0,2]=4 82 B11R2.106 NC1=C2CC=CC2=CC=C1 C14577 [1,1,0,0,0,0|1,0,0]=3 83 B11R2.106 NC1=C2NC=CC2=CN=C1 I11180 [1,1,0,0,0,0|2,0,0]=4 84 B11R2.106 NC1=C2OC=CC2=CC=N1 F30710 [1,1,0,0,0,0|1,0,0]=3 85 B11R2.106 NC1=C2OC=NC2=CC=C1 O11690 [1,1,0,0,0,0|1,0,0]=3 86 B11R2.106 NC1=C2ON=CC2=CC=C1 O11689 [1,1,0,0,0,0|1,0,0]=3 87 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [1,1,0,0,0,0|0,0,2]=4 88 B11R2.106 NC1=NC=CC2=C1NC=C2 I11178 [1,1,0,0,0,0|2,0,0]=4 89 B11R2.106 O=C1NC=NC2=C1C=CO2 52741 [1,1,0,0,0,0|2,0,0]=4 90 B11R2.106 OC1=C2NC=CC2=NC=C1 D78884 [1,1,0,0,0,0|2,0,0]=4 91 B11R2.106 OC1=CC=CC2=C1C=CO2 53817 [1,1,0,0,0,0|0,0,0]=2 92 B13R2.32 CC1=CC=C2C=NC=CC2=C1N AT16420 [0,1,0,0,0,1|2,0,0]=4 93 B13R2.32 FC1=C(I)C2=CC=CC=C2N=C1 79247 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 F13243 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.57 BrCC1=CC2=CN=CC=C2C=C1 D79717 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.57 BrCC1=CC2=NC=CC=C2C=C1 D84719 [0,1,0,0,0,1|2,0,0]=4 97 B13R2.57 BrC[C@H]1COC2=C(C=CC=C2)O1 I10587 [0,1,0,0,0,1|0,0,2]=4 98 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)O1 AC9796 [0,1,0,0,0,1|0,0,2]=4 99 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)O1 FD6050 [0,1,0,0,0,1|0,0,2]=4 100 B13R2.57 OCC1=CC2=CN=CC=C2C=C1 26660 [0,1,0,0,0,1|2,0,0]=4 101 B13R2.155 CC1=CC=C2C=NC(N)=CC2=C1 52988 [0,1,0,0,0,1|2,0,0]=4 102 B13R2.155 CC1=CN=C2N=CC(Br)=CC2=N1 71784 [0,1,0,0,0,1|2,0,0]=4 103 B13R2.155 FC1=CC=C2C=CC(Br)=CC2=N1 91505 [0,1,0,0,0,1|2,0,0]=4 104 B13R2.155 FC1=CN=C2C=CC(Br)=CC2=C1 80402 [0,1,0,0,0,1|2,0,0]=4 105 B13R2.155 NC1=CC=C2C=NC(Cl)=CC2=C1 D79802 [0,1,0,0,0,1|2,0,0]=4 106 B13R2.155 NC1=CN=C2C=CC(Br)=CC2=N1 C74020 [0,1,0,0,0,1|2,0,0]=4 107 B13R2.155 OC1=CC=C2C=CC(F)=CC2=C1 N14580 [0,1,0,0,0,1|2,0,0]=4 108 B13R2.162 CC1=CC2=C(N)C=CC=C2N=C1 E70238 [0,1,0,0,0,1|1,0,0]=3 109 B13R2.162 CC1=NC2=C(N)C=CC=C2N=C1 79509 [0,1,0,0,0,1|1,0,0]=3 110 B13R2.162 ClC1=C2C=C(Br)N=CC2=CC=C1 D72092 [0,1,0,0,0,1|2,0,0]=4 111 B13R2.162 ClC1=NC=C2C=CC=C(Br)C2=C1 96521 [0,1,0,0,0,1|2,0,0]=4 112 B13R2.162 NC1=C2C=C(Br)N=CC2=CC=C1 C72071 [0,1,0,0,0,1|2,0,0]=4 113 B13R2.162 NC1=C2C=C(O)C=NC2=CC=C1 33255 [0,1,0,0,0,1|2,0,0]=4 114 B13R2.162 NC1=C2N=C(Cl)C=CC2=CC=C1 90852 [0,1,0,0,0,1|2,0,0]=4 115 B13R2.162 NC1=CN=C2C=CC=C(Cl)C2=C1 80360 [0,1,0,0,0,1|2,0,0]=4 116 B13R2.162 NC1=NC=C2C=CC=C(F)C2=C1 68515 [0,1,0,0,0,1|2,0,0]=4 117 B13R2.162 OC1=C2C=C(Cl)N=CC2=CC=C1 79086 [0,1,0,0,0,1|2,0,0]=4 118 B13R2.328 ClC1=CC(Br)=CC2=CC=CC=C12 A10654 [0,1,0,0,0,1|2,0,0]=4 119 B13R2.328 NC1=CC(Br)=CC2=CC=CC=C12 W17912 [0,1,0,0,0,1|2,0,0]=4 120 B13R2.328 NC1=CC(O)=CC2=CC=CC=C12 D97229 [0,1,0,0,0,1|2,0,0]=4 121 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)O1 E70006 [0,1,0,0,0,1|1,0,0]=3 122 B13R2.369 CC1=C(N)C=C2N=CC=CC2=C1 C72193 [0,1,0,0,0,1|2,0,0]=4 123 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br P17804 [0,1,0,0,0,1|1,0,0]=3 124 B13R2.3683 BrC1=CC=C2C=C(Br)N=NC2=C1 F50936 [0,1,0,0,0,1|2,0,0]=4 125 B13R2.3683 BrC1=CC=C2C=C(I)C=NC2=C1 80428 [0,1,0,0,0,1|2,0,0]=4 126 B13R2.3683 CC1=CN=C2C=C(Br)C=CC2=C1 K10052 [0,1,0,0,0,1|1,0,0]=3 127 B13R2.3683 CC1=CN=C2C=C(O)C=CC2=C1 92262 [0,1,0,0,0,1|1,0,0]=3 128 B13R2.3683 CC1=NC=C2C=C(Br)C=CC2=C1 79254 [0,1,0,0,0,1|1,0,0]=3 129 B13R2.3683 ClC1=CC=C2N=C(Cl)N=CC2=C1 83934 [0,1,0,0,0,1|2,0,0]=4 130 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=N1 55503 [0,1,0,0,0,1|2,0,0]=4 131 B13R2.3683 FC1=CC=C2C=C(Br)C=NC2=C1 80433 [0,1,0,0,0,1|2,0,0]=4 132 B13R2.3683 FC1=CC=C2C=C(I)C=NC2=C1 80434 [0,1,0,0,0,1|2,0,0]=4 133 B13R2.3683 FC1=CN=C2C=C(Br)C=CC2=C1 82813 [0,1,0,0,0,1|2,0,0]=4 134 B13R2.3683 NC1=CC=C2C=C(F)C=NC2=C1 21015 [0,1,0,0,0,1|2,0,0]=4 135 B13R2.3683 NC1=NC=C2C=C(Cl)C=CC2=C1 68518 [0,1,0,0,0,1|2,0,0]=4 136 B13R2.3683 OC1=CC=C2C=C(Cl)N=CC2=C1 79088 [0,1,0,0,0,1|2,0,0]=4 137 B13R2.3683 OC1=CC=C2N=C(Cl)N=CC2=C1 W17778 [0,1,0,0,0,1|2,0,0]=4 138 B13R2.5179 BrC1=CC=C2C(I)=CC=CC2=C1 AT10842 [0,1,0,0,0,1|2,0,0]=4 139 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=C1 53842 [0,1,0,0,0,1|1,0,0]=3 140 B13R2.5179 ClC1=C2C=CC(Br)=NC2=CC=C1 D71280 [0,1,0,0,0,1|2,0,0]=4 141 B13R2.5179 ClC1=C2C=NC(Br)=CC2=CC=C1 D79764 [0,1,0,0,0,1|2,0,0]=4 142 B13R2.5179 NC1=C2C=CC(Br)=CC2=CC=C1 F53484 [0,1,0,0,0,1|2,0,0]=4 143 B13R2.5179 NC1=C2N=CC(O)=CC2=CC=C1 73653 [0,1,0,0,0,1|2,0,0]=4 144 B13R2.5179 NC1=NC=C2C(Cl)=CC=CC2=C1 68522 [0,1,0,0,0,1|2,0,0]=4 145 B13R2.5179 OC1=CC=C2C(Cl)=CC=CC2=C1 N14583 [0,1,0,0,0,1|2,0,0]=4 146 B13R2.3028 CC1=C(Br)N2C=C(F)C=CC2=N1 W13586 [0,2,0,0,0,0|2,0,0]=4 147 B13R2.3028 CC1=C(N)N2C=C(F)C=CC2=N1 O11592 [0,2,0,0,0,0|2,0,0]=4 148 B13R2.3028 NC1=CC2=C(C=C1)SC(Cl)=C2Br C13208 [0,2,0,0,0,0|1,1,0]=4 149 B13R2.4825 CC1=C(I)N2C=CC=C(Cl)C2=N1 W14714 [0,2,0,0,0,0|2,0,0]=4 150 B13R2.4825 CC1=C2C=CC=C(N)C2=NN1C P18212 [0,2,0,0,0,0|2,0,0]=4 151 B13R2.4856 CC1=C2C(N)=CC=CC2=NN1C P18211 [0,2,0,0,0,0|2,0,0]=4 152 B13R2.5190 CC1=CC2=NC(C)=C(Br)N2C=C1 CS2190 [0,2,0,0,0,0|2,0,0]=4 153 B13R2.26 OCCC1=CC2=C(C=CC=C2)N1 W14688 [0,2,0,0,0,0|1,0,0]=3 154 B13R2.43 CC1=CC2=C(C=C1)C=C(C#N)O2 61103 [0,2,0,0,0,0|0,0,1]=3 155 B13R2.43 CCC1=CC2=C(C=C(N)C=C2)O1 C74422 [0,2,0,0,0,0|0,0,0]=2 156 B13R2.43 N#CC1=CC2=C(C=C(Br)C=C2)N1 D96347 [0,2,0,0,0,0|1,0,1]=4 157 B13R2.43 OCC1=CC2=CC(Br)=CN=C2N1 C73208 [0,2,0,0,0,0|2,0,0]=4 158 B13R2.54 N#CC1=CC2=NC=CC(Cl)=C2O1 P12073 [0,2,0,0,0,0|1,0,1]=4 159 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)O1 D74564 [0,2,0,0,0,0|1,0,1]=4 160 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 20909 [0,2,0,0,0,0|1,0,1]=4 161 B13R2.3051 CC1(C)CC2=C(C=C(Br)C=C2)O1 94697 [0,2,0,0,0,0|0,0,2]=4 162 B13R2.581 CC1=CC2=C(C=O)C=CC=C2N1 C11357 [0,2,0,0,0,0|1,0,0]=3 163 B13R2.581 COC1=C2C=C(C)NC2=NC=C1 C74586 [0,2,0,0,0,0|2,0,0]=4 164 B13R2.3050 CC1=C(Br)C2=NN(C)C=C2C=C1 D97040 [0,2,0,0,0,0|2,0,0]=4 165 B13R2.5397 CC1=CN2C=C(Br)C=C(N)C2=N1 P19517 [0,2,0,0,0,0|2,0,0]=4 166 B13R2.5397 CC1=NC2=C(Cl)C=C(Br)C=C2S1 C72675 [0,2,0,0,0,0|1,1,0]=4 167 B13R2.2121 COC1=NC=C2NC(C)=CC2=C1 C71339 [0,2,0,0,0,0|2,0,0]=4 168 B13R2.13083 CN1C=C2C=C(O)C(Br)=CC2=N1 P13767 [0,2,0,0,0,0|2,0,0]=4 169 B9R2.3 C1=CC2=C(N1)SC=C2 C74294 [1,0,0,0,1,0|1,1,0]=4 170 B9R2.3 C1=CC2=CSC=C2S1 F19736 [1,0,0,0,1,0|1,1,0]=4 171 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 D83922 [0,0,0,0,0,2|1,0,1]=4