0 B13R2.57 BrCC1=CC2=CN=CC=C2C=C1 D79717 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.57 BrCC1=CC2=NC=CC=C2C=C1 D84719 [0,0,0,0,0,0|4,0,0]=4 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|4,0,0]=4 4 B12R2.24 ClC1=CC2=CC=CN=C2C=N1 87641 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.24 FC1=CC2=CC=CC=C2C=N1 D82691 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 IC1=CC2=CC=NC=C2C=C1 78444 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 NC1=CC2=CC=CN=C2C=N1 32379 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 OC1=CC2=CN=CC=C2C=N1 F13344 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.92 COC1=C(Cl)C2=NC=CC=C2C=C1 C72663 [0,1,0,0,0,0|2,0,0]=3 10 B14R2.92 COC1=C(N)C2=CN=CC=C2C=C1 79440 [0,1,0,0,0,0|2,0,0]=3 11 B14R2.134 COC1=CC2=CC(N)=CC=C2N=C1 AC9121 [0,1,0,0,0,0|2,0,0]=3 12 B14R2.134 COC1=CN=C2C=CC(Br)=CC2=N1 C74019 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.134 COC1=CN=C2C=CC(Cl)=NC2=C1 91726 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.134 O=CC1=CC=C2N=CC(Br)=CC2=C1 K10025 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.142 COC1=CC2=C(C=CNC2=O)N=C1 P13240 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.142 COC1=CC2=C(C=N1)NC=CC2=O 63722 [0,1,0,0,0,0|1,0,1]=3 17 B14R2.142 COC1=CC2=C(N)C=CC=C2C=C1 76420 [0,1,0,0,0,0|1,0,0]=2 18 B14R2.142 COC1=CC=C2N=CN=C(Cl)C2=N1 P12725 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.142 ClC1=C2C=C(CBr)C=CC2=NC=N1 C13563 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.142 N#CC1=CC=C2N=CC=C(O)C2=C1 Y14685 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.142 O=CC1=CC=C2C=CC=C(Br)C2=C1 FD10668 [0,1,0,0,0,0|3,0,0]=4 22 B14R2.142 O=CC1=CC=C2N=CN=C(Cl)C2=C1 20952 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.1019 COC1=CC2=C(C=CC=C2)C(=O)N1 P20791 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.1019 COC1=CC2=CC=CC=C2C(Cl)=N1 P20621 [0,1,0,0,0,0|2,0,0]=3 25 B14R2.1128 N#CC1=CC2=CC=CN=C2C=C1F 27988 [0,1,0,0,0,0|2,0,0]=3 26 B14R2.1801 COC1=CC2=NC=CC(N)=C2C=C1 D76682 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.2332 COC1=CC=C2N=C(Cl)C=CC2=N1 91340 [0,1,0,0,0,0|1,0,0]=2 28 B14R2.2332 COC1=NC2=C(C=C1)NC(=O)C=C2 91339 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.27 COC(=O)\C=C\C1=CC=NC=C1 D75467 [0,0,1,0,0,0|3,0,0]=4 30 B12R2.1 CCN1C=NC2=NC=CC=C21 C74418 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.32 N#CC1=CC2=C(N=CC=C2)N1 P17159 [0,0,0,0,1,0|3,0,0]=4 32 B12R2.44 COC1=CN=C2C=CNC2=C1 P11558 [0,0,0,0,1,0|2,0,0]=3 33 B12R2.44 N#CC1=CC2=CC=NN2C=C1 51016 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.44 NCC1=CC2=C(C=C1)N=CS2 C13234 [0,0,0,0,1,0|3,0,0]=4 35 B12R2.44 O=CC1=CC2=C(C=CO2)C=C1 AC3295 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.1 O=C\C=C\C1=CC=C(O)C=C1 O10873 [1,0,1,0,0,0|2,0,0]=4 37 B13R1.2430 C=C(C)C1=C(OC)C=CC(OC)=C1 Y14725 [0,1,1,0,0,0|1,0,1]=4 38 B13R2.32 CC1=CC=C2C=NC=CC2=C1N AT16420 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 F13243 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.32 NC1=C(F)C2=CC=CN=C2C=C1 95705 [1,1,0,0,0,0|1,0,0]=3 41 B13R2.32 NC1=C(F)C=CC2=NC=CC=C21 D87188 [1,1,0,0,0,0|1,0,0]=3 42 B13R2.32 NC1=C(O)C2=CC=CN=C2C=C1 K10144 [1,1,0,0,0,0|1,0,0]=3 43 B13R2.32 OC1=C(Br)C2=CN=CC=C2C=C1 97593 [1,1,0,0,0,0|2,0,0]=4 44 B13R2.32 OC1=C(Cl)C2=CC=CN=C2C=C1 22957 [1,1,0,0,0,0|0,0,0]=2 45 B13R2.155 CC1=CC=C2C=NC(N)=CC2=C1 52988 [1,1,0,0,0,0|2,0,0]=4 46 B13R2.155 CC1=CN=C2N=CC(Br)=CC2=N1 71784 [1,1,0,0,0,0|2,0,0]=4 47 B13R2.155 ClC1=CC=C2N=CC(Br)=CC2=N1 91727 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.155 FC1=CN=C2C=CC(Br)=CC2=C1 80402 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.155 NC1=CC=C2N=CC(Br)=CC2=N1 K10108 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.155 NC1=CN=C2C=CC(Br)=CC2=N1 C74020 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.155 OC1=CC=C2C=CC(F)=CC2=C1 N14580 [1,1,0,0,0,0|1,0,0]=3 52 B13R2.162 CC1=CC2=C(N)C=CC=C2N=C1 E70238 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.162 ClC1=C2C=C(Br)C=NC2=NC=C1 O10967 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.162 ClC1=CC2=C(Cl)C=CN=C2C=N1 P12489 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.162 FC1=CC=C2N=CC=C(Br)C2=N1 C72692 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.162 FC1=CC=C2N=NC=C(Cl)C2=C1 AC1929 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.162 NC1=C2C=C(Cl)C=CC2=NN=C1 AC2152 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.162 NC1=C2C=C(O)C=NC2=CC=C1 33255 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.162 NC1=CC=C2N=CN=C(Cl)C2=C1 F13706 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.162 OC1=C2C=C(Br)C=NC2=NC=C1 57893 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.162 OC1=C2C=C(Cl)N=CC2=NC=C1 92762 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.328 ClC1=CC(Br)=CC2=CC=CC=C12 A10654 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.328 NC1=CC(Br)=CC2=CC=CC=C12 W17912 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.328 NC1=CC(O)=CC2=CC=CC=C12 D97229 [1,1,0,0,0,0|1,0,0]=3 65 B13R2.369 CC1=C(N)C=C2N=CC=CC2=C1 C72193 [1,1,0,0,0,0|0,0,0]=2 66 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br P17804 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.3683 CC1=CN=C2C=C(Br)C=CC2=C1 K10052 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.3683 CC1=CN=C2C=C(O)C=CC2=C1 92262 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.3683 CC1=NC=C2C=C(Br)C=CC2=C1 79254 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.3683 ClC1=CC2=CC=C(Cl)N=C2C=N1 O10626 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.3683 ClC1=CC=C2N=C(Cl)N=CC2=C1 83934 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.3683 FC1=CC=C2C=C(Br)C=CC2=N1 55503 [1,1,0,0,0,0|1,0,0]=3 73 B13R2.3683 FC1=CC=C2N=C(Cl)C=CC2=N1 P18872 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.3683 FC1=NC=C2N=C(Cl)C=CC2=C1 D79621 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.3683 OC1=CC=C2C=C(Cl)N=CC2=C1 79088 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.3683 OC1=CC=C2N=C(Cl)N=CC2=C1 W17778 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.5179 BrC1=CC=C2C(I)=CC=CC2=C1 AT10842 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.5179 CC1=CC=C2C(O)=CC=CC2=C1 53842 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.5179 NC1=C2C=CC(Br)=CC2=CC=C1 F53484 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.5179 NC1=C2N=CC(O)=CC2=CC=C1 73653 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.5179 OC1=CC=C2C(Br)=CC=NC2=C1 D87193 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.5179 OC1=CC=C2C(Br)=CN=CC2=C1 K10068 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.5179 OC1=CC=C2C(Cl)=CC=CC2=C1 N14583 [1,1,0,0,0,0|1,0,0]=3 84 B13R2.5179 OC1=CC=C2C(Cl)=CN=CC2=C1 K10075 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.2136 COC1=NNC2=C1C=C(N)C=N2 82012 [0,1,0,0,1,0|2,0,0]=4 86 B13R2.84 COC1=C(N)C2=C(C=C1)NC=C2 W19281 [0,1,0,0,1,0|0,0,1]=3 87 B13R2.84 COC1=C(O)C2=C(C=C1)NC=C2 F18136 [0,1,0,0,1,0|0,0,1]=3 88 B13R2.449 OCCC1=CC2=C(C=C1)SC=C2 H11183 [0,1,0,0,1,0|2,0,0]=4 89 B13R2.599 COC1=C(F)C=C2C=NNC2=C1 I11266 [0,1,0,0,1,0|2,0,0]=4 90 B13R2.654 COC1=CC(Br)=C2C=NNC2=C1 P10572 [0,1,0,0,1,0|2,0,0]=4 91 B13R2.654 COC1=CC(Br)=C2N=CNC2=C1 W19592 [0,1,0,0,1,0|1,0,0]=3 92 B13R2.654 COC1=CN2N=CC=C2C(Br)=C1 55344 [0,1,0,0,1,0|2,0,0]=4 93 B13R2.669 COC1=CC2=C(C=C1)C=NN2C 78709 [0,1,0,0,1,0|2,0,0]=4 94 B13R2.2121 COC1=NC=C2NC(C)=CC2=C1 C71339 [0,1,0,0,1,0|1,0,1]=4 95 B13R2.2130 COC1=NC2=C(C=C1)C(Br)=CN2 P17199 [0,1,0,0,1,0|2,0,0]=4 96 B15R2.627 O=C(O)C1=C(Br)C2=CC=CN=C2C=C1 D85327 [0,2,0,0,0,0|2,0,0]=4 97 B15R2.1290 CCOC1=CC=C2N=CC=C(Cl)C2=N1 W17911 [0,2,0,0,0,0|1,0,0]=3 98 B15R2.1601 COC(=O)C1=CC2=CC=NN=C2C=C1 F30687 [0,2,0,0,0,0|1,0,0]=3 99 B15R2.1601 N[C@@H](CO)C1=CC2=CC=CC=C2C=C1 D85221 [0,2,0,0,0,0|2,0,0]=4 100 B15R2.1601 N[C@@H](CO)C1=CC2=CC=CC=C2C=C1 Y11604 [0,2,0,0,0,0|2,0,0]=4 101 B15R2.10252 CCOC1=CC=C2N=C(Cl)N=CC2=C1 C76491 [0,2,0,0,0,0|1,0,0]=3 102 B15R2.4776 COC1=CC2=CC(C#N)=CN=C2C=C1 87225 [0,2,0,0,0,0|0,0,0]=2 103 B15R2.4776 COC1=CC=C2C=CC(CBr)=CC2=C1 AC2748 [0,2,0,0,0,0|1,0,0]=3 104 B15R2.7174 CC(=O)C1=CC=C2N=CC(Cl)=CC2=C1 K10022 [0,2,0,0,0,0|1,0,0]=3 105 B15R2.7174 NC(=O)C1=CC=C2N=CC(Br)=CC2=C1 K10024 [0,2,0,0,0,0|2,0,0]=4 106 B15R2.7174 O=C(O)C1=CC=C2N=CC(F)=CC2=C1 33256 [0,2,0,0,0,0|2,0,0]=4 107 B15R2.89396 COC1=CC=C2C(=C1)C=C(O)N=C2Cl AT19765 [0,2,0,0,0,0|2,0,0]=4 108 B15R2.89396 COC1=CC=C2C(Cl)=CC(Cl)=NC2=C1 83916 [0,2,0,0,0,0|2,0,0]=4 109 B15R2.2393 COC1=C(Br)C=C2C=CNC(=O)C2=C1 AT15476 [0,2,0,0,0,0|2,0,0]=4 110 B15R2.21329 COC1=CC=C2N=C(Cl)C=C(Cl)C2=N1 O10591 [0,2,0,0,0,0|1,0,0]=3 111 B15R2.7180 CC(=O)C1=CC2=CC=C(O)C=C2C=C1 D88173 [0,2,0,0,0,0|2,0,0]=4 112 B15R2.7180 NC1=CC=C2C=C(C(=O)O)C=CC2=N1 27928 [0,2,0,0,0,0|2,0,0]=4 113 B15R2.14951 O=C(O)C1=CC2=CC=CN=C2C(O)=C1 C77086 [0,2,0,0,0,0|2,0,0]=4 114 B15R2.2039 COC1=C(O)C=C2C(Cl)=CC=NC2=C1 AC9481 [0,2,0,0,0,0|2,0,0]=4 115 B15R2.89401 COC1=CC2=C(C=C1)C(=O)C(I)=CO2 86896 [0,2,0,0,0,0|2,0,0]=4 116 B13R2.15272 COC(=O)C1=CC2=C1C=CC=C2 C74803 [0,0,1,1,0,0|2,0,0]=4 117 B11R2.10 BrC1=CC2=C(C=CC=N2)S1 73440 [1,0,0,0,1,0|2,0,0]=4 118 B11R2.10 CC1=CC2=CN=CN=C2N1 38251 [1,0,0,0,1,0|2,0,0]=4 119 B11R2.10 CC1=CC2=NC=CN=C2N1 P19354 [1,0,0,0,1,0|2,0,0]=4 120 B11R2.36 CC1=CC2=C(C=C1)SC=N2 AT10317 [1,0,0,0,1,0|2,0,0]=4 121 B11R2.36 CC1=CC2=CN=CN2C=C1 D80112 [1,0,0,0,1,0|2,0,0]=4 122 B11R2.36 NC1=CC2=C(C=CS2)C=C1 F51396 [1,0,0,0,1,0|2,0,0]=4