0 B13R2.57 BrCC1=CC2=CN=CC=C2C=C1 D79717 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.57 BrCC1=CC2=NC=CC=C2C=C1 D84719 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.57 COC1=CC2=C(C=C1)SCNC2 83461 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.57 OCC1=CC2=CN=CC=C2C=C1 26660 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.24 BrC1=CC2=NN=CC=C2C=C1 C72506 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.24 BrC1=NC2=CN=CC=C2C=C1 F30772 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 ClC1=CC2=CC=CN=C2C=N1 87641 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 FC1=CC2=CC=CC=C2C=N1 D82691 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 IC1=CC2=CC=NC=C2C=C1 78444 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.24 IC1=CC2=NC=CC=C2N=C1 Y10070 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 NC1=CC2=CC=CN=C2C=N1 32379 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 NC1=CC2=CC=NC=C2N=C1 C11437 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 NC1=CC2=CN=CC=C2C=N1 H11216 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 NC1=CC=C2C=NN=CC2=C1 96287 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 NC1=NC2=CC=NC=C2C=C1 80663 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 OC1=CC2=CN=CC=C2C=N1 F13344 [1,0,0,0,0,0|2,0,0]=3 16 B14R2.92 COC1=C(Cl)C2=NC=CC=C2C=C1 C72663 [0,1,0,0,0,0|1,0,0]=2 17 B14R2.92 COC1=C(N)C2=CN=CC=C2C=C1 79440 [0,1,0,0,0,0|1,0,0]=2 18 B14R2.134 COC1=CC2=CC(N)=CC=C2N=C1 AC9121 [0,1,0,0,0,0|1,0,0]=2 19 B14R2.134 COC1=CN=C2C=CC(Br)=CC2=N1 C74019 [0,1,0,0,0,0|2,0,0]=3 20 B14R2.134 COC1=CN=C2C=CC(Cl)=NC2=C1 91726 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.134 N#CC1=CN=C2C=CC(F)=CC2=C1 87217 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.134 O=CC1=CC=C2N=CC(Br)=CC2=C1 K10025 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.142 COC1=CC2=C(C=CNC2=O)N=C1 P13240 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.142 COC1=CC2=C(C=N1)NC=CC2=O 63722 [0,1,0,0,0,0|2,0,0]=3 25 B14R2.142 COC1=CC2=C(N)C=CC=C2C=C1 76420 [0,1,0,0,0,0|0,0,0]=1 26 B14R2.142 COC1=CC=C2N=CN=C(Cl)C2=N1 P12725 [0,1,0,0,0,0|3,0,0]=4 27 B14R2.142 N#CC1=CC=C2N=CC=C(O)C2=C1 Y14685 [0,1,0,0,0,0|3,0,0]=4 28 B14R2.142 N#CC1=CN=C2C=CC=C(Cl)C2=C1 95711 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.142 NC1=C2C=C(CO)C=CC2=CC=N1 D79858 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.142 O=CC1=CC=C2C=CC=C(Br)C2=C1 FD10668 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.142 OCC1=CC=C2C=CN=C(Cl)C2=C1 D79857 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.781 NC(=S)C1=CC2=CC=CC=C2C=N1 C11146 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.1019 COC1=CC2=C(C=CC=C2)C(=O)N1 P20791 [0,1,0,0,0,0|1,0,0]=2 34 B14R2.1019 COC1=CC2=CC=CC=C2C(Cl)=N1 P20621 [0,1,0,0,0,0|1,0,0]=2 35 B14R2.1128 N#CC1=CC2=CC=CN=C2C=C1F 27988 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCS2 Y13645 [0,1,0,0,0,0|1,0,2]=4 37 B14R2.1801 COC1=CC2=NC=CC(N)=C2C=C1 D76682 [0,1,0,0,0,0|1,0,0]=2 38 B14R2.1801 NC1=C2C=CC(CO)=CC2=CC=N1 D79821 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=N1 91340 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.2332 COC1=NC2=C(C=C1)NC(=O)C=C2 91339 [0,1,0,0,0,0|2,0,0]=3 41 B14R2.2332 N#CC1=CC=C2C=C(O)C=CC2=N1 D96381 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.2332 OCC1=CC=C2C=C(Cl)N=CC2=C1 D74332 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 D75467 [0,0,1,0,0,0|2,0,0]=3 44 B12R2.44 COC1=CN=C2C=CNC2=C1 P11558 [0,0,0,0,1,0|2,0,0]=3 45 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 AC3295 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 O10873 [1,0,1,0,0,0|1,0,0]=3 47 B11R1.17 CO\N=C\C1=C(N)C=CC=C1 D79908 [1,0,1,0,0,0|2,0,0]=4 48 B13R1.14 COC(=O)\C=C\C1=CN=C(N)C=C1 Y11004 [0,1,1,0,0,0|2,0,0]=4 49 B13R1.3 COC1=CC=C(\C=C\B(O)O)C=C1 D76970 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.2430 C=C(C)C1=C(OC)C=CC(OC)=C1 Y14725 [0,1,1,0,0,0|1,0,1]=4 51 B13R2.32 CC1=CC=C2C=NC=CC2=C1N AT16420 [1,1,0,0,0,0|1,0,0]=3 52 B13R2.32 ClC1=C(Br)C2=NC=CC=C2C=C1 83140 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.32 FC1=C(I)C2=CC=CC=C2N=C1 79247 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 F13243 [1,1,0,0,0,0|1,0,0]=3 55 B13R2.32 NC1=C(Br)C=CC2=CN=CC=C21 C76720 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.32 NC1=C(F)C2=CC=CN=C2C=C1 95705 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.32 NC1=C(F)C=CC2=CN=CC=C21 D80089 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.32 NC1=C(F)C=CC2=NC=CC=C21 D87188 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.32 NC1=C(O)C2=CC=CN=C2C=C1 K10144 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.32 OC1=C(Br)C2=CN=CC=C2C=C1 97593 [1,1,0,0,0,0|1,0,0]=3 61 B13R2.32 OC1=C(Cl)C2=CC=CN=C2C=C1 22957 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.155 CC1=CC=C2C=NC(N)=CC2=C1 52988 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.155 FC1=CC=C2C=CC(Br)=CC2=N1 91505 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.155 FC1=CN=C2C=CC(Br)=CC2=C1 80402 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.155 NC1=CC=C2C=NC(Cl)=CC2=C1 D79802 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.155 OC1=CC=C2C=CC(F)=CC2=C1 N14580 [1,1,0,0,0,0|0,0,0]=2 67 B13R2.162 CC1=CC2=C(N)C=CC=C2N=C1 E70238 [1,1,0,0,0,0|1,0,0]=3 68 B13R2.162 CC1=NC2=C(N)C=CC=C2N=C1 79509 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.162 ClC1=C2C=C(Br)N=CC2=CC=C1 D72092 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.162 ClC1=NC=C2C=CC=C(Br)C2=C1 96521 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.162 NC1=C2C=C(Br)N=CC2=CC=C1 C72071 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.162 NC1=C2C=C(O)C=NC2=CC=C1 33255 [1,1,0,0,0,0|1,0,0]=3 73 B13R2.162 NC1=C2N=C(Cl)C=CC2=CC=C1 90852 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.162 NC1=CN=C2C=CC=C(Cl)C2=C1 80360 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.162 NC1=NC=C2C=CC=C(F)C2=C1 68515 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.162 OC1=C2C=C(Cl)N=CC2=CC=C1 79086 [1,1,0,0,0,0|2,0,0]=4 77 B13R2.328 ClC1=CC(Br)=CC2=CC=CC=C12 A10654 [1,1,0,0,0,0|1,0,0]=3 78 B13R2.328 FC1=CC2=NC=CC=C2C(Br)=C1 K10116 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.328 NC1=CC(Br)=CC2=CC=CC=C12 W17912 [1,1,0,0,0,0|1,0,0]=3 80 B13R2.328 NC1=CC(Cl)=CC2=NC=CC=C12 K10119 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.328 NC1=CC(F)=CC2=NC=CC=C12 K10117 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.328 NC1=CC(O)=CC2=CC=CC=C12 D97229 [1,1,0,0,0,0|0,0,0]=2 83 B13R2.328 O=C1C=C(Br)C2=C(C=CC=C2)O1 E70006 [1,1,0,0,0,0|1,0,1]=4 84 B13R2.328 OC1=CC(F)=CC2=NC=CC=C12 79390 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.369 CC1=C(N)C=C2N=CC=CC2=C1 C72193 [1,1,0,0,0,0|1,0,0]=3 86 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br P17804 [1,1,0,0,0,0|1,0,0]=3 87 B13R2.3683 BrC1=CC=C2C=C(I)C=NC2=C1 80428 [1,1,0,0,0,0|2,0,0]=4 88 B13R2.3683 CC1=CN=C2C=C(Br)C=CC2=C1 K10052 [1,1,0,0,0,0|1,0,0]=3 89 B13R2.3683 CC1=CN=C2C=C(O)C=CC2=C1 92262 [1,1,0,0,0,0|1,0,0]=3 90 B13R2.3683 CC1=NC=C2C=C(Br)C=CC2=C1 79254 [1,1,0,0,0,0|1,0,0]=3 91 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=N1 55503 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.3683 FC1=CC=C2C=C(Br)C=NC2=C1 80433 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.3683 FC1=CC=C2C=C(I)C=NC2=C1 80434 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.3683 FC1=CN=C2C=C(Br)C=CC2=C1 82813 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.3683 NC1=CC=C2C=C(F)C=NC2=C1 21015 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.3683 NC1=NC=C2C=C(Cl)C=CC2=C1 68518 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.3683 OC1=CC=C2C=C(Cl)N=CC2=C1 79088 [1,1,0,0,0,0|1,0,0]=3 98 B13R2.3683 OC1=CC=C2N=C(Cl)N=CC2=C1 W17778 [1,1,0,0,0,0|2,0,0]=4 99 B13R2.5179 BrC1=CC=C2C(I)=CC=CC2=C1 AT10842 [1,1,0,0,0,0|1,0,0]=3 100 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=C1 53842 [1,1,0,0,0,0|0,0,0]=2 101 B13R2.5179 ClC1=C2C=CC(Br)=NC2=CC=C1 D71280 [1,1,0,0,0,0|2,0,0]=4 102 B13R2.5179 ClC1=C2C=NC(Br)=CC2=CC=C1 D79764 [1,1,0,0,0,0|2,0,0]=4 103 B13R2.5179 ClC1=CC=C2C(Br)=CN=CC2=C1 K10019 [1,1,0,0,0,0|2,0,0]=4 104 B13R2.5179 FC1=CC=C2C(Br)=CN=CC2=C1 K10011 [1,1,0,0,0,0|2,0,0]=4 105 B13R2.5179 NC1=C2C=CC(Br)=CC2=CC=C1 F53484 [1,1,0,0,0,0|1,0,0]=3 106 B13R2.5179 NC1=C2C=CC(Cl)=CC2=CN=C1 K10020 [1,1,0,0,0,0|2,0,0]=4 107 B13R2.5179 NC1=C2N=CC(O)=CC2=CC=C1 73653 [1,1,0,0,0,0|1,0,0]=3 108 B13R2.5179 NC1=CC=C2C(Cl)=CN=CC2=C1 73657 [1,1,0,0,0,0|2,0,0]=4 109 B13R2.5179 NC1=NC=C2C(Cl)=CC=CC2=C1 68522 [1,1,0,0,0,0|2,0,0]=4 110 B13R2.5179 OC1=CC=C2C(Br)=CC=NC2=C1 D87193 [1,1,0,0,0,0|1,0,0]=3 111 B13R2.5179 OC1=CC=C2C(Br)=CN=CC2=C1 K10068 [1,1,0,0,0,0|1,0,0]=3 112 B13R2.5179 OC1=CC=C2C(Cl)=CC=CC2=C1 N14583 [1,1,0,0,0,0|0,0,0]=2 113 B13R2.5179 OC1=CC=C2C(Cl)=CN=CC2=C1 K10075 [1,1,0,0,0,0|1,0,0]=3 114 B13R2.26 OCCC1=CC2=C(C=CC=C2)N1 W14688 [0,1,0,0,1,0|2,0,0]=4 115 B13R2.43 CCC1=CC2=C(C=C(N)C=C2)O1 C74422 [0,1,0,0,1,0|2,0,0]=4 116 B13R2.84 COC1=C(N)C2=C(C=C1)NC=C2 W19281 [0,1,0,0,1,0|1,0,0]=3 117 B13R2.84 COC1=C(O)C2=C(C=C1)NC=C2 F18136 [0,1,0,0,1,0|1,0,0]=3 118 B13R2.449 OCCC1=CC2=C(C=C1)SC=C2 H11183 [0,1,0,0,1,0|2,0,0]=4 119 B13R2.599 COC1=C(F)C=C2C=NNC2=C1 I11266 [0,1,0,0,1,0|2,0,0]=4 120 B13R2.654 COC1=CC(Br)=C2C=NNC2=C1 P10572 [0,1,0,0,1,0|2,0,0]=4 121 B13R2.654 COC1=CC(Br)=C2N=CNC2=C1 W19592 [0,1,0,0,1,0|2,0,0]=4 122 B13R2.654 COC1=CN2N=CC=C2C(Br)=C1 55344 [0,1,0,0,1,0|2,0,0]=4 123 B13R2.669 COC1=CC2=C(C=C1)C=NN2C 78709 [0,1,0,0,1,0|2,0,0]=4 124 B13R2.2121 COC1=NC=C2NC(C)=CC2=C1 C71339 [0,1,0,0,1,0|2,0,0]=4 125 B13R2.2130 COC1=NC2=C(C=C1)C(Br)=CN2 P17199 [0,1,0,0,1,0|2,0,0]=4 126 B15R2.627 O=C(O)C1=C(F)C2=CC=CC=C2C=C1 W12368 [0,2,0,0,0,0|2,0,0]=4 127 B15R2.2115 COC1=C(C=O)C2=NC=CC=C2N=C1 67231 [0,2,0,0,0,0|2,0,0]=4 128 B15R2.2220 O=C1C2=C(C=CC=C2)C=CN1CCO D93559 [0,2,0,0,0,0|2,0,0]=4 129 B15R2.1290 CCOC1=CC=C2N=CC=C(Cl)C2=N1 W17911 [0,2,0,0,0,0|2,0,0]=4 130 B15R2.1601 COC(=O)C1=CC2=CC=NN=C2C=C1 F30687 [0,2,0,0,0,0|2,0,0]=4 131 B15R2.1601 N[C@@H](CO)C1=CC2=CC=CC=C2C=C1 D85221 [0,2,0,0,0,0|1,0,0]=3 132 B15R2.1601 N[C@@H](CO)C1=CC2=CC=CC=C2C=C1 Y11604 [0,2,0,0,0,0|1,0,0]=3 133 B15R2.10252 CCOC1=CC=C2N=C(Cl)N=CC2=C1 C76491 [0,2,0,0,0,0|2,0,0]=4 134 B15R2.4776 COC1=CC2=CC(C#N)=CN=C2C=C1 87225 [0,2,0,0,0,0|1,0,0]=3 135 B15R2.4776 COC1=CC=C2C=CC(CBr)=CC2=C1 AC2748 [0,2,0,0,0,0|0,0,0]=2 136 B15R2.7174 CC(=O)C1=CC=C2N=CC(Cl)=CC2=C1 K10022 [0,2,0,0,0,0|2,0,0]=4 137 B15R2.89396 COC1=CC=C2C(=C1)C=C(O)N=C2Cl AT19765 [0,2,0,0,0,0|1,0,0]=3 138 B15R2.89396 COC1=CC=C2C(Cl)=CC(Cl)=NC2=C1 83916 [0,2,0,0,0,0|1,0,0]=3 139 B15R2.2393 COC1=C(Br)C=C2C=CNC(=O)C2=C1 AT15476 [0,2,0,0,0,0|1,0,0]=3 140 B15R2.21329 COC1=CC=C2N=C(Cl)C=C(Cl)C2=N1 O10591 [0,2,0,0,0,0|2,0,0]=4 141 B15R2.61353 O=C(O)C1=CC2=C(O)C=CC=C2C=C1 W12532 [0,2,0,0,0,0|2,0,0]=4 142 B15R2.61353 O=C(O)C1=CC=C2C=CC=C(I)C2=C1 W18976 [0,2,0,0,0,0|2,0,0]=4 143 B15R2.7180 CC(=O)C1=CC2=CC=C(O)C=C2C=C1 D88173 [0,2,0,0,0,0|1,0,0]=3 144 B15R2.7180 O=C(O)C1=CC=C2C=C(Cl)C=CC2=C1 C75360 [0,2,0,0,0,0|2,0,0]=4 145 B15R2.13598 CC(=O)C1=CC2=CC=CC(C)=C2N=C1 P19483 [0,2,0,0,0,0|2,0,0]=4 146 B15R2.13598 CC1=C2N=CC([C@H](C)N)=CC2=CC=C1 P20196 [0,2,0,0,0,0|2,0,0]=4 147 B15R2.13598 O=C(O)C1=CC=C2C(Cl)=CC=CC2=C1 76274 [0,2,0,0,0,0|2,0,0]=4 148 B15R2.14951 CN(C)C1=NC2=CC=CC=C2C(N)=C1 79649 [0,2,0,0,0,0|2,0,0]=4 149 B15R2.14951 O=C(O)C1=CC2=CC=CC=C2C(O)=C1 F51110 [0,2,0,0,0,0|2,0,0]=4 150 B15R2.2039 COC1=C(O)C=C2C(Cl)=CC=NC2=C1 AC9481 [0,2,0,0,0,0|1,0,0]=3 151 B15R2.89401 COC1=CC2=C(C=C1)C(=O)C(I)=CO2 86896 [0,2,0,0,0,0|1,0,0]=3 152 B13R2.15272 COC(=O)C1=CC2=C1C=CC=C2 C74803 [0,0,1,1,0,0|1,0,0]=3 153 B11R2.36 CC1=CC2=C(C=C1)SC=N2 AT10317 [1,0,0,0,1,0|2,0,0]=4 154 B11R2.36 CC1=CC2=CN=CN2C=C1 D80112 [1,0,0,0,1,0|2,0,0]=4 155 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51396 [1,0,0,0,1,0|2,0,0]=4