0 B13R2.162 BrC1=CC2=C(Br)C=CC=C2C=C1 SY288545 [1,0,0,0,0,0|3,0,0]=4 1 B13R2.162 CC1=C2NC(=O)COC2=CC=C1 SY100551 [1,0,0,0,0,0|1,0,1]=3 2 B13R2.162 CC1=C2NC(=O)OCC2=CC=C1 SY129182 [1,0,0,0,0,0|1,0,1]=3 3 B13R2.162 CC1=CC=CC2=C1NC(=O)C=C2 SY021046 [1,0,0,0,0,0|0,0,0]=1 4 B13R2.162 CC1=CC=CC2=C1NC(=O)CC2 SY021047 [1,0,0,0,0,0|0,0,2]=3 5 B13R2.162 CC1=CC=NC2=CC=C(Br)C=C12 SY107078 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.162 CC1=NC2=C(Br)C=CC=C2C=C1 SY021112 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.162 CC1=NC2=C(C)C=CC=C2C=C1 SY041606 [1,0,0,0,0,0|1,0,1]=3 8 B13R2.162 CC1=NC2=C(N)C=CC=C2C=C1 SY020984 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.162 ClC1=CC2=C(Br)C=CC=C2C=C1 SY288544 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.162 ClC1=NC2=C(Cl)C=CC=C2C=C1 SY013566 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.162 NC1=C2NC(=O)COC2=CC=C1 SY110266 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.162 NC1=C2NC(=O)OCC2=CC=C1 SY129157 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.162 NC1=CC=CC2=C1C=C(O)C=C2 SY011420 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.162 O=C1C=CC2=C(N1)C(Br)=CC=C2 SY122943 [1,0,0,0,0,0|1,0,0]=2 15 B13R2.162 O=C1COC2=CC=CC(F)=C2N1 SY100542 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.162 O=C1NC2=C(Br)C=CC=C2CO1 SY129180 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.162 O=C1NC2=C(Cl)C=CC=C2CO1 SY129207 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.162 O=C1NC2=C(F)C=CC=C2CO1 SY129153 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.162 OC1=CC2=C(C=CC=C2I)C=C1 SY294388 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 SY014374 [1,0,0,0,0,0|1,0,2]=4 21 B13R2.369 BrC1=C(Br)C=C2C=CC=CC2=C1 SY050486 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl SY040433 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.369 ClC1=C(Cl)C=C2C=CC=CC2=C1 SY272623 [1,0,0,0,0,0|3,0,0]=4 24 B13R2.369 NC1=C(I)C=C2C=CC=CC2=C1 SY045819 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.369 NC1=C(N)C=C2C=CC=CC2=C1 SY010815 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1O SY020106 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O SY254129 [1,0,0,0,0,0|1,0,0]=2 28 B13R2.369 NC1=CC2=CC=CC=C2N=C1Cl SY034210 [1,0,0,0,0,0|2,0,1]=4 29 B13R2.369 OC1=C(Br)C=C2C=CC=CC2=C1 SY055576 [1,0,0,0,0,0|2,0,0]=3 30 B13R2.369 OC1=CC2=C(C=CC=C2)C=C1O SY015230 [1,0,0,0,0,0|1,0,1]=3 31 B13R2.369 OC1=NC2=CC=CC=C2N=C1Cl SY098102 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.5179 CC1=CC2=CC=CC(F)=C2C=C1 SY274216 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.5179 CC1=CC2=CC=CC(N)=C2C=C1 SY121421 [1,0,0,0,0,0|3,0,0]=4 34 B13R2.5179 CC1=CC2=CC=CC(N)=C2N=C1 SY273599 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.5179 CC1=CC2=CC=CC(O)=C2C=C1 SY268176 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.5179 CC1=CC=CC2=C1C=CC(=O)N2 SY295224 [1,0,0,0,0,0|2,0,1]=4 37 B13R2.5179 O=C1C=COC2=C1C=CC(O)=C2 SY233998 [1,0,0,0,0,0|3,0,0]=4 38 B13R2.5179 OC1=CC2=C(C=C1)C(O)=CC=C2 SY015233 [1,0,0,0,0,0|2,0,0]=3 39 B13R2.5179 OC1=CC=C2C(Br)=CC=CC2=N1 SY016638 [1,0,0,0,0,0|3,0,0]=4 40 B13R2.5179 OC1=CC=C2C(F)=CC=CC2=C1 SY278234 [1,0,0,0,0,0|2,0,0]=3 41 B13R2.5179 OC1=CC=CC2=CC(Br)=CC=C12 SY259898 [1,0,0,0,0,0|3,0,0]=4 42 B13R2.5179 [O-][N+]1=C2C=CC(O)=CC2=CC=C1 SY251128 [1,0,0,0,0,0|3,0,0]=4 43 B15R2.61348 CC1=C2NC(=O)C(C)(C)OC2=CC=C1 SY130772 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.202 CC1=CC=CC=C1NC(=O)C(C)Cl SY131962 [0,0,1,0,0,0|1,0,2]=4 45 B13R1.4928 CC1=CC=CC(C)=C1NC(=O)CCl SY020968 [0,0,1,0,0,0|1,0,2]=4 46 B13R2.4825 CC1=CC=CC2=C1NC(=O)C2=O SY081570 [0,0,0,0,1,0|0,0,1]=2 47 B13R2.4825 NC1=CC=CC2=C1NC(=O)C2=O SY058415 [0,0,0,0,1,0|1,0,1]=3 48 B13R2.4825 O=C1NC2=C(C=CC=C2Br)C1=O SY002925 [0,0,0,0,1,0|1,0,1]=3 49 B13R2.4825 O=C1NC2=C(C=CC=C2Cl)C1=O SY008499 [0,0,0,0,1,0|1,0,1]=3 50 B13R2.4825 O=C1NC2=C(C=CC=C2F)C1=O SY009282 [0,0,0,0,1,0|1,0,1]=3 51 B13R2.4825 O=C1NC2=C(C=CC=C2I)C1=O SY033891 [0,0,0,0,1,0|1,0,1]=3 52 B13R2.4825 O=C1NC2=C(C=CC=C2O)C1=O SY058417 [0,0,0,0,1,0|1,0,1]=3 53 B13R2.4856 CC1=CC=CC2=C1C(=O)C(=O)N2 SY015146 [0,0,0,0,1,0|1,0,1]=3 54 B13R2.4856 O=C1NC2=C(C1=O)C(Cl)=CC=C2 SY005279 [0,0,0,0,1,0|2,0,1]=4 55 B13R2.4856 O=C1NC2=C(C1=O)C(I)=CC=C2 SY033894 [0,0,0,0,1,0|2,0,1]=4 56 B13R2.4856 O=C1NC2=CC=CC(Br)=C2C1=O SY004146 [0,0,0,0,1,0|2,0,1]=4 57 B12R1.43 C=C(C)C(=O)NC1=CC=CC=C1 SY051128 [1,0,1,0,0,0|1,0,0]=3 58 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 SY003985 [1,0,1,0,0,0|1,0,0]=3 59 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 SY003741 [1,0,1,0,0,0|2,0,0]=4 60 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 SY012681 [1,0,1,0,0,0|2,0,0]=4 61 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 SY015112 [1,0,1,0,0,0|2,0,0]=4 62 B12R1.1009 CC(=O)NC1=C(C)C=CC=C1C SY061310 [1,0,1,0,0,0|0,0,2]=4 63 B12R2.24 BrC1=NC2=C(C=CC=C2)C=C1 SY019854 [2,0,0,0,0,0|1,0,1]=4 64 B12R2.24 CC1=CC2=CC=CC=C2N=C1 SY048469 [2,0,0,0,0,0|1,0,1]=4 65 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 SY021114 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.24 ClC1=CC=C2C=CC=CC2=C1 SY055345 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 SY001152 [2,0,0,0,0,0|1,0,1]=4 68 B12R2.24 FC1=CC2=CC=CC=C2N=C1 SY260141 [2,0,0,0,0,0|1,0,1]=4 69 B12R2.24 IC1=CC2=CC=CC=C2N=C1 SY191981 [2,0,0,0,0,0|1,0,1]=4 70 B12R2.24 IC1=CC=C2C=CC=CC2=C1 SY103936 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.24 O=C1C=CC2=C(C=CN=C2)N1 SY129309 [2,0,0,0,0,0|1,0,0]=3 72 B12R2.24 O=C1C=CC2=C(N=CC=C2)N1 SY241058 [2,0,0,0,0,0|1,0,0]=3 73 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SY018411 [2,0,0,0,0,0|1,0,1]=4 74 B12R2.24 O=C1COC2=C(C=CC=C2)N1 SY007578 [2,0,0,0,0,0|1,0,1]=4 75 B12R2.24 O=C1NC2=CC=CC=C2CO1 SY129148 [2,0,0,0,0,0|1,0,1]=4 76 B12R2.24 OC1=CC2=C(C=C1)C=NC=C2 SY020019 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 SY009024 [2,0,0,0,0,0|0,0,1]=3 78 B12R2.24 OC1=CC2=CC=CC=C2C=N1 SY005563 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.24 OC1=CC=C2C=CC=NC2=C1 SY025837 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.24 OC1=CC=C2C=CN=CC2=C1 SY020018 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.24 OC1=CC=C2N=CC=CC2=C1 SY003116 [2,0,0,0,0,0|2,0,0]=4 82 B12R2.24 OC1=NC2=C(C=CC=C2)C=C1 SY003693 [2,0,0,0,0,0|0,0,2]=4 83 B12R2.24 OC1=NC2=C(C=CC=C2)N=C1 SY013680 [2,0,0,0,0,0|1,0,1]=4 84 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 SY014149 [2,0,0,0,0,0|1,0,1]=4 85 B12R2.1081 CC1=CC=CC2=C1N=CC=N2 SY015222 [2,0,0,0,0,0|1,0,1]=4 86 B12R2.1081 ClC1=C2N=CC=CC2=CC=C1 SY017667 [2,0,0,0,0,0|1,0,1]=4 87 B12R2.1081 FC1=CC=CC2=C1N=CC=C2 SY004608 [2,0,0,0,0,0|1,0,1]=4 88 B12R2.1081 IC1=C2C=CC=CC2=CC=C1 SY024097 [2,0,0,0,0,0|2,0,0]=4 89 B12R2.1081 NC1=CC=CC2=C1N=CC=C2 SY012863 [2,0,0,0,0,0|1,0,1]=4 90 B14R1.5971 CC1=CC=CC(C)=C1NC(=O)C(=O)O SY053452 [0,1,1,0,0,0|1,0,0]=3 91 B14R2.142 O=CC1=CC=C2C=CC=C(O)C2=N1 SY011471 [1,1,0,0,0,0|1,0,1]=4 92 B14R2.4513 CC1=C(Br)C=CC2=C1NC(=O)CC2 SY060536 [1,1,0,0,0,0|0,0,2]=4 93 B14R2.4513 CC1=C2NC(=O)COC2=CC=C1Br SY100552 [1,1,0,0,0,0|1,0,1]=4 94 B14R2.4513 CC1=CC=C2COC(=O)NC2=C1C SY129165 [1,1,0,0,0,0|1,0,1]=4 95 B14R2.8045 CC1=C2N=C(Br)C=C(Br)C2=CC=C1 SY275587 [1,1,0,0,0,0|1,0,1]=4 96 B14R2.8045 CC1=CC(Cl)=NC2=C(C)C=CC=C12 SY022015 [1,1,0,0,0,0|1,0,1]=4 97 B14R2.8045 CC1=CC=CC2=C1NC(=O)NC2=O SY045929 [1,1,0,0,0,0|1,0,0]=3 98 B14R2.8045 CC1=CC=CC2=C1OC(=O)C=C2O SY130846 [1,1,0,0,0,0|1,0,0]=3 99 B14R2.8045 O=C1C=C(O)C2=C(O1)C(F)=CC=C2 SY130839 [1,1,0,0,0,0|2,0,0]=4 100 B14R2.8045 O=C1NC(=O)C2=C(N1)C(F)=CC=C2 SY013583 [1,1,0,0,0,0|2,0,0]=4 101 B14R2.8045 O=C1NC2=C(Br)C=CC=C2C(=O)O1 SY147762 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.8235 CC1=C2N=C(Cl)C=CC2=CC(Br)=C1 SY034328 [1,1,0,0,0,0|1,0,1]=4 103 B14R2.8235 CC1=CC(Br)=CC2=C1NC(=O)C=C2 SY036031 [1,1,0,0,0,0|0,0,0]=2 104 B14R2.8235 CC1=CC(Br)=CC2=C1NC(=O)CC2 SY021048 [1,1,0,0,0,0|0,0,2]=4 105 B14R2.8235 CC1=CC(C)=C2NC(=O)OCC2=C1 SY129198 [1,1,0,0,0,0|1,0,1]=4 106 B14R2.8235 CC1=NC2=C(C)C=C(Br)C=C2C=C1 SY262160 [1,1,0,0,0,0|1,0,1]=4 107 B14R2.8235 O=C1C=CC2=C(N1)C(F)=CC(Br)=C2 SY036033 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.8235 O=C1N=CC2=C(N1)C(F)=CC(Br)=C2 SY060542 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.11684 COC1=C2NC(=O)OCC2=CC=C1 SY129193 [1,1,0,0,0,0|1,0,1]=4 110 B14R2.11684 COC1=CC=CC2=C1OC(=O)C=C2 SY287603 [1,1,0,0,0,0|1,0,0]=3 111 B14R2.1128 N#CC1=C(O)C=C2C=CC=CC2=C1 SY028476 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.1128 N#CC1=NC2=C(C=CC=C2)NC1=O SY268150 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.1128 NCC1=C(O)C=C2C=CC=CC2=C1 SY027128 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.1128 O=CC1=C(F)C=C2C=CC=CC2=C1 SY275318 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.1128 O=CC1=C(O)C=C2C=CC=CC2=C1 SY028654 [1,1,0,0,0,0|1,0,0]=3 116 B14R2.1128 O=CC1=NC2=CC=CC=C2C=C1Cl SY034207 [1,1,0,0,0,0|1,0,1]=4 117 B14R2.1128 OCC1=C(F)C=C2C=CC=CC2=C1 SY280119 [1,1,0,0,0,0|2,0,0]=4 118 B14R2.1801 COC1=CC2=CC=CC(O)=C2C=C1 SY102964 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.1801 COC1=CC=C2C(C)=CC=NC2=C1 SY024005 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.28480 OC1=CC(Br)=C2C(Cl)=CC=CC2=C1 SY286834 [1,1,0,0,0,0|2,0,0]=4 121 B14R2.28480 OC1=CC(Br)=C2C(F)=CC=CC2=C1 SY289803 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(O)=C2 SY017941 [1,1,0,0,0,0|2,0,0]=4 123 B14R2.29365 CC1=CC(Cl)=C2N=CC(O)=CC2=C1 SY281376 [1,1,0,0,0,0|1,0,1]=4 124 B14R2.29369 CC1=CC=C2C=C(O)C=NC2=C1Cl SY281377 [1,1,0,0,0,0|1,0,1]=4 125 B14R2.2151 CC1=CC=CC2=C1CC(C=O)=C2Cl SY264337 [0,1,0,0,1,0|2,0,0]=4 126 B14R2.8620 CC1=CC=C(F)C2=C1NC(=O)C2=O SY021966 [0,1,0,0,1,0|0,0,1]=3 127 B14R2.8620 O=C1NC2=C(C1=O)C(Cl)=CC=C2Cl SY015247 [0,1,0,0,1,0|1,0,1]=4 128 B14R2.8620 O=C1NC2=C(C1=O)C(Cl)=CC=C2F SY040043 [0,1,0,0,1,0|1,0,1]=4 129 B14R2.8737 CC1=C(Br)C=CC2=C1NC(=O)C2=O SY165569 [0,1,0,0,1,0|0,0,1]=3 130 B14R2.8737 O=C1NC2=C(C=CC(F)=C2Br)C1=O SY292385 [0,1,0,0,1,0|1,0,1]=4 131 B14R2.8737 O=C1NC2=C(C=CC(I)=C2Cl)C1=O SY286065 [0,1,0,0,1,0|1,0,1]=4 132 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(Br)=C1 SY058391 [0,1,0,0,1,0|1,0,1]=4 133 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 SY078910 [0,1,0,0,1,0|0,0,1]=3 134 B14R2.9184 O=C1NC2=C(C=C(Br)C=C2Cl)C1=O SY185329 [0,1,0,0,1,0|1,0,1]=4 135 B14R2.9184 O=C1NC2=C(C=C(Cl)C=C2Cl)C1=O SY004423 [0,1,0,0,1,0|1,0,1]=4 136 B14R2.9184 O=C1NC2=C(C=C(F)C=C2Br)C1=O SY058392 [0,1,0,0,1,0|1,0,1]=4 137 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O SY047983 [0,1,0,0,1,0|0,0,1]=3 138 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 SY045639 [0,0,1,1,0,0|1,0,0]=3 139 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 SY251599 [0,0,1,1,0,0|2,0,0]=4 140 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 SY049517 [0,0,1,1,0,0|2,0,0]=4 141 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2O1 SY045635 [0,0,1,1,0,0|2,0,0]=4 142 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2O1 SY019649 [0,0,1,1,0,0|2,0,0]=4 143 B12R2.202 CC1=C2NC(=O)OC2=CC=C1 SY130158 [1,0,0,0,1,0|1,0,0]=3 144 B12R2.202 CC1=C2NC(=S)OC2=CC=C1 SY086235 [1,0,0,0,1,0|1,1,0]=4 145 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 SY009386 [1,0,0,0,1,0|2,0,0]=4 146 B12R2.202 CC1=CC=CC2=C1NC(=O)C2 SY084752 [1,0,0,0,1,0|0,0,1]=3 147 B12R2.202 CC1=CC=NC2=C1NC(=O)N2 SY007154 [1,0,0,0,1,0|2,0,0]=4 148 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 SY130163 [1,0,0,0,1,0|2,0,0]=4 149 B12R2.202 NC1=CC=CC2=C1NC(=O)C2 SY248415 [1,0,0,0,1,0|1,0,1]=4 150 B12R2.202 O=C1CC2=C(N1)C(Br)=CC=C2 SY029304 [1,0,0,0,1,0|1,0,1]=4 151 B12R2.202 O=C1CC2=C(N1)C(F)=CC=C2 SY029301 [1,0,0,0,1,0|1,0,1]=4 152 B12R2.202 O=C1NC2=C(F)C=CC=C2O1 SY130173 [1,0,0,0,1,0|2,0,0]=4 153 B12R2.203 CC1=C2C(=O)NOC2=CC=C1 SY280842 [1,0,0,0,1,0|2,0,0]=4 154 B12R2.203 CC1=CC=CC2=C1C(=O)CC2 SY116573 [1,0,0,0,1,0|0,0,2]=4 155 B12R2.18 CN1C(=O)NC2=CC=CC=C21 SY045893 [1,0,0,0,1,0|2,0,0]=4 156 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SY016747 [1,0,0,0,1,0|0,0,2]=4 157 B12R2.18 O=C1NC2=CC=CC=C2C1=O SY005277 [1,0,0,0,1,0|0,0,1]=3 158 B12R2.18 O=C1NC2=NC=CC=C2C1=O SY107993 [1,0,0,0,1,0|1,0,1]=4 159 B12R2.18 O=C1OC2=CC=CC=C2C1=O SY023499 [1,0,0,0,1,0|1,0,1]=4 160 B12R2.196 CC1=CC=CC2=C1NN=C2I SY030200 [1,0,0,0,1,0|2,0,0]=4 161 B12R2.196 CC1=CC=CC2=C1NN=C2N SY014100 [1,0,0,0,1,0|2,0,0]=4 162 B12R2.196 NC1=CC=CC2=C1NC=C2Cl SY251800 [1,0,0,0,1,0|2,0,0]=4