0 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 2827789 [0,0,0,0,0,0|2,0,2]=4 1 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 2827938 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.24 CC1CNC2=CC=CC=C2C1 1050537 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.24 CC1CNC2=CC=CC=C2O1 1217660 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.24 CC1CNC2=CC=CC=C2O1 2204844 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.24 FC1=CC2=CC=CC=C2C=C1 5011242 [0,0,0,0,0,0|2,0,2]=4 6 B12R2.24 NC1=NC2=CC=CC=C2CS1 5009562 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.24 NC1COC2=CC=CC=C2C1 1179713 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 2828560 [0,0,0,0,0,0|0,0,2]=2 9 B12R2.24 O=C1C=NC2=CC=CC=C2N1 7020204758 [0,0,0,0,0,0|2,0,1]=3 10 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 2819843 [0,0,0,0,0,0|0,0,0]=0 11 B12R2.24 O=C1CCC2=CC=CC=C2N1 1655132 [0,0,0,0,0,0|1,0,0]=1 12 B12R2.24 O=C1CNC2=CC=CC=C2N1 0111910003 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.24 O=C1COC2=CC=CC=C2N1 7020041238 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.24 O=C1COC2=CC=CN=C2N1 1121255 [0,0,0,0,0,0|3,0,0]=3 15 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 7119930006 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 2828139 [0,0,0,0,0,0|1,0,3]=4 17 B12R2.24 SC1=CC2=CC=CC=C2C=C1 1556415 [0,0,0,0,0,0|1,1,2]=4 18 B11R2.20 C1=CC2=C(C=C1)CNCC2 1038831 [1,0,0,0,0,0|2,0,0]=3 19 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 2826575 [1,0,0,0,0,0|1,0,2]=4 20 B11R2.20 C1=CC=C2C=CC=CC2=C1 2826500 [1,0,0,0,0,0|1,0,2]=4 21 B11R2.20 C1=CC=C2C=NC=CC2=C1 2826576 [1,0,0,0,0,0|2,0,1]=4 22 B11R2.20 C1=CC=C2CCCCC2=C1 2826907 [1,0,0,0,0,0|1,0,1]=3 23 B11R2.20 C1=CC=C2NCCCC2=C1 2048736 [1,0,0,0,0,0|1,0,1]=3 24 B11R2.20 C1=CC=C2OCCNC2=C1 1217659 [1,0,0,0,0,0|1,0,1]=3 25 B11R2.20 C1=CC=C2OCCOC2=C1 2827086 [1,0,0,0,0,0|1,0,1]=3 26 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 1888483 [0,1,0,0,0,0|1,0,0]=2 27 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O 2821948 [0,1,0,0,0,0|1,0,2]=4 28 B13R2.57 N#CC1=NCC2=CC=CC=C2N1 6056938 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.57 NCC1COC2=CC=CC=C2O1 22430425 [0,1,0,0,0,0|2,0,1]=4 30 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 2821489 [0,1,0,0,0,0|1,0,2]=4 31 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 3670753 [0,1,0,0,0,0|2,0,1]=4 32 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 5662506 [0,1,0,0,0,0|0,0,2]=3 33 B13R2.155 CC1=CC=C2NCC(C)OC2=C1 1217672 [0,1,0,0,0,0|2,0,1]=4 34 B13R2.155 CC1=CC=C2OCC(=O)NC2=C1 1258383 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 7020410398 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.155 NC1=CC=C2OCC(=O)NC2=N1 1517666 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.155 O=C1COC2=CC=C(Cl)C=C2N1 0128760740 [0,1,0,0,0,0|2,0,0]=3 38 B13R2.155 O=C1COC2=CC=C(O)C=C2N1 1526731 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.162 NC1=C2NC(=O)C=CC2=CC=C1 3671265 [0,1,0,0,0,0|1,0,2]=4 40 B13R2.162 NC1=C2NC(=O)COC2=CC=C1 1329496 [0,1,0,0,0,0|2,0,0]=3 41 B13R2.162 NC1=C2OC(=O)C=CC2=CC=C1 2204903 [0,1,0,0,0,0|0,0,2]=3 42 B13R2.162 O=C1CCC2=CC=CC(Cl)=C2N1 2169504 [0,1,0,0,0,0|1,0,0]=2 43 B13R2.222 CC1(C)CNC2=CC=CC=C2O1 1217662 [0,1,0,0,0,0|2,0,1]=4 44 B13R2.222 CC1(C)CNC2=CC=CC=C2O1 1445669 [0,1,0,0,0,0|2,0,1]=4 45 B13R2.328 O=C1C=C(O)C2=CC=CC=C2N1 7020542827 [0,1,0,0,0,0|1,0,2]=4 46 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 7119870048 [0,1,0,0,0,0|2,0,1]=4 47 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 2832707 [0,1,0,0,0,0|2,0,1]=4 48 B13R2.369 CC1=CC2=CC=CC=C2NC1=O 2630813 [0,1,0,0,0,0|1,0,2]=4 49 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O 7020240406 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.369 NC1CC2=CC=CC=C2NC1=O 2048871 [0,1,0,0,0,0|1,0,0]=2 51 B13R2.369 O=C1NC2=CC=CC=C2NC1=O 2128590 [0,1,0,0,0,0|2,0,1]=4 52 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 2212398 [0,1,0,0,0,0|1,0,0]=2 53 B13R2.3683 NC1=CC2=C(C=C1)OC(=O)C=C2 2212473 [0,1,0,0,0,0|0,0,2]=3 54 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 7020710001 [0,1,0,0,0,0|2,0,0]=3 55 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2N1 1373943 [0,1,0,0,0,0|1,0,0]=2 56 B13R2.3683 O=C1COC2=CC(O)=CC=C2N1 1526735 [0,1,0,0,0,0|2,0,0]=3 57 B13R2.5179 NC1=C2OCC(=O)NC2=CC=C1 1112133 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.17 BrCCCC1=CC=CC=C1Br 6184625 [0,0,1,0,0,0|2,0,1]=4 59 B11R1.17 FC1=CC=CC=C1CCCCl 1275126 [0,0,1,0,0,0|2,0,1]=4 60 B11R1.17 OCCCC1=CC=CC=C1F 1204349 [0,0,1,0,0,0|1,0,2]=4 61 B11R1.40 COC(=O)CC1=CC=CC=C1 1902120 [0,0,1,0,0,0|2,0,0]=3 62 B11R1.40 NCC(=O)NC1=CC=CC=C1 7020432301 [0,0,1,0,0,0|2,0,0]=3 63 B11R1.40 O=C(CCl)NC1=CC=CC=C1 1195629 [0,0,1,0,0,0|2,0,0]=3 64 B11R1.40 O=C(CCl)NC1=NC=CC=C1 1194680 [0,0,1,0,0,0|3,0,0]=4 65 B11R1.40 O=C(CO)NC1=CC=CC=C1 1015594 [0,0,1,0,0,0|2,0,0]=3 66 B11R1.40 O=C(CS)NC1=CC=CC=C1 7414270001 [0,0,1,0,0,0|2,0,0]=3 67 B11R1.86 CC(=O)C[N+]1=C(C)C=CC=C1 7012270716 [0,0,1,0,0,0|2,0,0]=3 68 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 0118671324 [0,0,1,0,0,0|1,0,0]=2 69 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 2829216 [0,0,1,0,0,0|2,0,0]=3 70 B11R1.86 CC1=C(NC(N)=O)C=CC=C1 1779236 [0,0,1,0,0,0|2,0,0]=3 71 B11R1.86 CC1=C(NC(N)=S)C=CC=C1 0104540046 [0,0,1,0,0,0|2,1,0]=4 72 B11R1.86 CC1=CC=CC=C1NC(=N)N 2125462 [0,0,1,0,0,0|3,0,0]=4 73 B11R1.86 O=C(O)CC1=CC=CC=C1F 7020330565 [0,0,1,0,0,0|3,0,0]=4 74 B11R1.91 C=C(C)COC1=CC=CC=C1 5914055 [0,0,1,0,0,0|3,0,0]=4 75 B11R1.91 CC(=O)CCC1=CC=CC=C1 1043589 [0,0,1,0,0,0|1,0,0]=2 76 B11R1.91 CC(=O)NCC1=CC=CC=N1 3851354 [0,0,1,0,0,0|3,0,0]=4 77 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2129779 [0,0,1,0,0,0|1,0,2]=4 78 B11R1.91 N=C(N)SCC1=CC=CC=C1 4434567 [0,0,1,0,0,0|3,0,0]=4 79 B11R1.91 NC(=O)COC1=CC=CC=C1 1375246 [0,0,1,0,0,0|2,0,0]=3 80 B11R1.91 NC(=O)CSC1=CC=CC=C1 1375325 [0,0,1,0,0,0|2,0,0]=3 81 B11R1.91 NC(=O)NCC1=CC=CC=C1 1779235 [0,0,1,0,0,0|2,0,0]=3 82 B11R1.91 NC(=O)OCC1=CC=CC=C1 2829213 [0,0,1,0,0,0|2,0,0]=3 83 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 5009290 [0,0,1,0,0,0|1,0,2]=4 84 B11R1.91 NC(=S)COC1=CC=CC=C1 7020331590 [0,0,1,0,0,0|2,1,0]=4 85 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 1051731 [0,0,1,0,0,0|1,0,0]=2 86 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 4787343 [0,0,1,0,0,0|1,0,2]=4 87 B11R1.91 O=C(O)CCC1=CC=CC=C1 7020400414 [0,0,1,0,0,0|0,0,0]=1 88 B11R1.91 O=C(O)CCC1=CC=CC=N1 1499995 [0,0,1,0,0,0|1,0,0]=2 89 B11R1.91 O=C(O)CCC1=CN=CN=C1 4056519 [0,0,1,0,0,0|2,0,0]=3 90 B11R1.91 O=C(O)CNC1=CC=CC=C1 1142601 [0,0,1,0,0,0|1,0,0]=2 91 B11R1.91 O=C(O)CNC1=CC=CN=C1 3355230 [0,0,1,0,0,0|2,0,0]=3 92 B11R1.91 O=C(O)CNC1=NC=CC=N1 2140105 [0,0,1,0,0,0|3,0,0]=4 93 B11R1.91 O=C(O)COC1=CC=CC=C1 7113231893 [0,0,1,0,0,0|1,0,0]=2 94 B11R1.91 O=C(O)CSC1=CC=CC=C1 7110950354 [0,0,1,0,0,0|1,0,0]=2 95 B11R1.91 O=C(O)CSC1=CC=CC=N1 1500183 [0,0,1,0,0,0|2,0,0]=3 96 B11R1.91 O=C(O)CSC1=NC=NC=C1 2289397 [0,0,1,0,0,0|3,0,0]=4 97 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 7020400360 [0,0,1,0,0,0|0,0,2]=3 98 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 1314146 [0,0,1,0,0,0|1,0,2]=4 99 B11R2.1 BrC1=NNC2=C1C=CC=C2 0111070064 [0,0,0,0,1,0|3,0,0]=4 100 B11R2.1 CN1CCC2=CC=CC=C21 3585918 [0,0,0,0,1,0|2,0,0]=3 101 B11R2.1 NC1=C2C=CC=CC2=NS1 7110952728 [0,0,0,0,1,0|3,0,0]=4 102 B11R2.1 NC1=NNC2=C1C=CC=C2 1218431 [0,0,0,0,1,0|3,0,0]=4 103 B11R2.1 O=C1CCC2=CC=CC=C12 1202552 [0,0,0,0,1,0|0,0,0]=1 104 B11R2.1 O=C1NCC2=C1C=CC=C2 2422687 [0,0,0,0,1,0|1,0,0]=2 105 B11R2.1 O=C1OCC2=C1C=CC=C2 2826988 [0,0,0,0,1,0|1,0,0]=2 106 B11R2.1 OC1=NNC2=CC=CC=C21 7020542804 [0,0,0,0,1,0|2,0,1]=4 107 B11R2.1 OC1=NOC2=CC=CC=C21 5011377 [0,0,0,0,1,0|2,0,1]=4 108 B11R2.10 CC1=CC2=CC=CC=C2N1 7210741752 [0,0,0,0,1,0|2,0,1]=4 109 B11R2.10 CC1=CC2=CC=CC=C2S1 3504244 [0,0,0,0,1,0|1,1,1]=4 110 B11R2.10 CC1=NC2=C(C=CC=C2)S1 2829019 [0,0,0,0,1,0|2,1,0]=4 111 B11R2.10 CC1CC2=C(C=CC=C2)N1 14991776 [0,0,0,0,1,0|2,0,1]=4 112 B11R2.10 ClC1=NC2=CC=CC=C2N1 1436700 [0,0,0,0,1,0|3,0,0]=4 113 B11R2.10 NC1=NC2=CC=CC=C2N1 7119850621 [0,0,0,0,1,0|3,0,0]=4 114 B11R2.10 O=C1CC2=CC=CC=C2C1 15296930 [0,0,0,0,1,0|1,0,0]=2 115 B11R2.10 O=C1CC2=CC=CC=C2N1 7017680945 [0,0,0,0,1,0|1,0,0]=2 116 B11R2.10 O=C1NC2=CC=CC=C2N1 7214190567 [0,0,0,0,1,0|2,0,0]=3 117 B11R2.10 O=C1NC2=CC=CC=C2O1 2129121 [0,0,0,0,1,0|1,0,0]=2 118 B11R2.10 O=C1NC2=NC=CC=C2O1 1499982 [0,0,0,0,1,0|2,0,0]=3 119 B11R2.10 S=C1NC2=C(C=CC=C2)O1 2829241 [0,0,0,0,1,0|1,1,0]=3 120 B11R2.10 S=C1NC2=CC=CC=C2S1 2139255 [0,0,0,0,1,0|1,2,0]=4 121 B11R2.10 SC1=NC2=CC=CC=C2S1 3585800 [0,0,0,0,1,0|1,2,0]=4 122 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 7577009 [0,0,0,0,0,1|0,0,0]=1 123 B13R2.163 O=C1CCCC2=CC=CC=C2N1 1392632 [0,0,0,0,0,1|1,0,0]=2 124 B10R1.17 BrCCCC1=CC=CC=C1 1275152 [1,0,1,0,0,0|1,0,1]=4 125 B10R1.17 BrCCOC1=CC=CC=C1 7110952510 [1,0,1,0,0,0|1,0,1]=4 126 B10R1.17 CCCCC1=CC=CC=C1 2827024 [1,0,1,0,0,0|1,0,1]=4 127 B10R1.17 CCNCC1=CC=CC=C1 1366645 [1,0,1,0,0,0|2,0,0]=4 128 B10R1.17 ClC\C=C\C1=CC=CC=C1 5970146 [1,0,1,0,0,0|2,0,0]=4 129 B10R1.17 N#CCCC1=CC=CC=C1 1512383 [1,0,1,0,0,0|1,0,1]=4 130 B10R1.17 NCCOC1=CC=CC=C1 7020330514 [1,0,1,0,0,0|1,0,1]=4 131 B10R1.17 NNCCC1=CC=CC=C1 9080668 [1,0,1,0,0,0|2,0,0]=4 132 B10R1.17 O=C=NCC1=CC=CC=C1 1055530 [1,0,1,0,0,0|1,0,1]=4 133 B10R1.17 O=CCCC1=CC=CC=C1 1191525 [1,0,1,0,0,0|0,0,0]=2 134 B10R1.17 O=C\C=C\C1=CC=CC=C1 1778825 [1,0,1,0,0,0|0,0,2]=4 135 B10R1.17 OCCNC1=CC=CC=C1 1866520 [1,0,1,0,0,0|1,0,1]=4 136 B10R1.17 OCCOC1=CC=CC=C1 1275759 [1,0,1,0,0,0|1,0,1]=4 137 B10R1.17 SCCOC1=CC=CC=C1 1310591 [1,0,1,0,0,0|1,0,1]=4 138 B10R1.4 C=CCC1=C(O)C=CC=C1 2827010 [1,0,1,0,0,0|0,0,1]=3 139 B10R1.4 CC1=C(N=C=O)C=CC=C1 1055563 [1,0,1,0,0,0|1,0,1]=4 140 B10R1.4 CCOC1=C(O)C=CC=C1 2827244 [1,0,1,0,0,0|1,0,1]=4 141 B10R1.4 CCOC1=CC=CC=C1N 1314577 [1,0,1,0,0,0|1,0,1]=4 142 B10R1.4 NCCC1=C(O)C=CC=C1 2227237 [1,0,1,0,0,0|1,0,0]=3 143 B10R1.4 NCCC1=CC=CC=C1F 6051017 [1,0,1,0,0,0|2,0,0]=4 144 B10R1.20 COC1=C(C=O)C=CC=C1 1180631 [1,0,1,0,0,0|1,0,0]=3 145 B10R1.20 COC1=C(CO)C=CC=C1 1778903 [1,0,1,0,0,0|1,0,1]=4 146 B10R1.20 COC1=C(OC)C=CC=C1 2827242 [1,0,1,0,0,0|1,0,1]=4 147 B10R1.18 CC(=O)NC1=CC=CC=C1 0118671148 [1,0,1,0,0,0|1,0,0]=3 148 B10R1.18 CC(=O)OC1=CC=CC=C1 5970182 [1,0,1,0,0,0|0,0,0]=2 149 B10R1.18 NC(=O)NC1=CC=CC=C1 1778870 [1,0,1,0,0,0|2,0,0]=4 150 B10R1.18 O=C(Cl)CC1=CC=CC=C1 1051728 [1,0,1,0,0,0|2,0,0]=4 151 B10R1.18 O=C(O)CC1=CC=CC=C1 1500423 [1,0,1,0,0,0|2,0,0]=4 152 B12R1.121 CNCCC1=C(OC)C=CC=C1 7020694233 [0,1,1,0,0,0|2,0,0]=4 153 B12R1.125 CC(=O)COC1=C(Br)C=CC=C1 1655092 [0,1,1,0,0,0|2,0,0]=4 154 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 1512405 [0,1,1,0,0,0|1,0,0]=3 155 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 0125160286 [0,1,1,0,0,0|2,0,0]=4 156 B12R1.125 CC1=C(OCC(N)=O)C=CC=C1 7113225356 [0,1,1,0,0,0|2,0,0]=4 157 B12R1.125 CC1=CC=CC=C1NCC(=O)O 7020380021 [0,1,1,0,0,0|2,0,0]=4 158 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 1376061 [0,1,1,0,0,0|2,0,0]=4 159 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 1512707 [0,1,1,0,0,0|1,0,0]=3 160 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 7020400402 [0,1,1,0,0,0|1,0,0]=3 161 B12R1.125 O=C(O)CCC1=CC=CC=C1F 7020400397 [0,1,1,0,0,0|1,0,0]=3 162 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 0107930010 [0,1,1,0,0,0|2,0,0]=4 163 B12R1.32 CCOC(=O)CC1=CC=CC=C1 1902606 [0,1,1,0,0,0|1,0,0]=3 164 B12R1.32 COCC(=O)NC1=CC=CC=C1 5441566 [0,1,1,0,0,0|1,0,0]=3 165 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 1179087 [0,1,1,0,0,0|1,0,1]=4 166 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 1194691 [0,1,1,0,0,0|1,0,0]=3 167 B12R1.32 O=C(CCS)NC1=CC=CC=C1 1864080 [0,1,1,0,0,0|1,0,0]=3 168 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 7020290661 [0,1,1,0,0,0|1,0,0]=3 169 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 1782314 [0,1,1,0,0,0|2,0,0]=4 170 B12R1.34 COC(=O)C(Br)C1=CC=CC=C1 3644543 [0,1,1,0,0,0|2,0,0]=4 171 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 2285152 [0,1,1,0,0,0|2,0,0]=4 172 B12R1.43 CC(Br)C(=O)NC1=CC=CC=C1 1897922 [0,1,1,0,0,0|1,0,0]=3 173 B12R1.75 COC1=C(CC(=O)O)C=CC=C1 1780154 [0,1,1,0,0,0|2,0,0]=4 174 B12R1.75 CSC1=CC=CC=C1CC(=O)O 1287090 [0,1,1,0,0,0|2,0,0]=4 175 B12R1.169 CCOC1=C(N=C=O)C=CC=C1 2823465 [0,1,1,0,0,0|1,0,1]=4 176 B12R1.224 CC(=O)NC1=C(C)C(C)=CC=C1 7112901144 [0,1,1,0,0,0|1,0,0]=3 177 B12R1.27 COC(=O)CCC1=CN=CN=C1 7138613 [0,1,1,0,0,0|2,0,0]=4 178 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 11186114 [0,1,1,0,0,0|0,0,2]=4 179 B12R1.27 NNC(=O)COC1=CC=CC=C1 0103480076 [0,1,1,0,0,0|2,0,0]=4 180 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 4764459 [0,1,1,0,0,0|1,0,0]=3 181 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 3585822 [0,1,1,0,0,0|2,0,0]=4 182 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 0104820635 [0,1,1,0,0,0|2,0,0]=4 183 B12R1.27 O=C(CO)NCC1=CC=CC=C1 1015681 [0,1,1,0,0,0|1,0,0]=3 184 B12R1.27 [NH3+]CC(=O)OCC1=CC=CC=C1 15298737 [0,1,1,0,0,0|2,0,0]=4 185 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 1902541 [0,1,1,0,0,0|1,0,1]=4 186 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 1042017 [0,1,1,0,0,0|0,0,0]=2 187 B12R1.107 CC(NC(N)=O)C1=CC=CC=C1 1779974 [0,1,1,0,0,0|2,0,0]=4 188 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 1041772 [0,1,1,0,0,0|0,0,2]=4 189 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 5110070076 [0,1,1,0,0,0|0,0,0]=2 190 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 7020431083 [0,1,1,0,0,0|1,0,1]=4 191 B12R2.1081 NC1=C2NCCCC2=CC=C1 1055742 [1,1,0,0,0,0|1,0,1]=4 192 B12R2.1081 NC1CCCC2=CC=CC=C21 5011931 [1,1,0,0,0,0|1,0,1]=4 193 B12R2.1081 NC1CCOC2=C1C=CC=C2 7020610028 [1,1,0,0,0,0|0,0,1]=3 194 B12R2.1081 O=C1CCCC2=C1C=CC=C2 1202501 [1,1,0,0,0,0|1,0,1]=4 195 B12R2.1081 O=C1CCOC2=CC=CC=C12 1392616 [1,1,0,0,0,0|0,0,2]=4 196 B12R2.1081 OC1=C2CCCCC2=CC=C1 2819875 [1,1,0,0,0,0|1,0,1]=4 197 B12R2.1081 OC1CCNC2=CC=CC=C21 3508271 [1,1,0,0,0,0|1,0,1]=4 198 B12R2.1081 OC1CCOC2=CC=CC=C21 1298907 [1,1,0,0,0,0|0,0,1]=3 199 B12R2.1 O=CC1=CNC2=CC=CC=C12 1107042 [0,1,0,0,1,0|1,0,1]=4 200 B12R2.18 CN1CC2=C(C=CC=C2)C1=O 6338564 [0,1,0,0,1,0|1,0,0]=3 201 B12R2.18 NC1CC2=CC=CC=C2C1O 2048787 [0,1,0,0,1,0|0,0,2]=4 202 B12R2.18 O=C1NC2=CC=CC=C2C1=O 2828769 [0,1,0,0,1,0|1,0,1]=4 203 B12R2.132 NC1=CC=C2CNC(=O)C2=C1 2212785 [0,1,0,0,1,0|1,0,0]=3 204 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 1202555 [0,1,0,0,1,0|0,0,0]=2 205 B12R2.132 OC1CCC2=CC=C(Cl)C=C21 1202612 [0,1,0,0,1,0|0,0,2]=4 206 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 1202565 [0,1,0,0,1,0|0,0,0]=2 207 B12R2.196 O=C1CCC2=C(O)C=CC=C12 2828882 [0,1,0,0,1,0|0,0,0]=2 208 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 3668641 [0,1,0,0,1,0|1,0,0]=3 209 B12R2.612 O=C1COC2=CC(O)=CC=C12 7014000096 [0,1,0,0,1,0|1,0,0]=3 210 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 1195498 [0,1,0,0,1,0|1,0,1]=4 211 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 2828876 [0,1,0,0,1,0|1,0,1]=4 212 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 2889482 [0,1,0,0,1,0|1,0,1]=4 213 B12R2.32 BrCC1CC2=CC=CC=C2O1 1118572 [0,1,0,0,1,0|1,0,1]=4 214 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 2214407 [0,1,0,0,1,0|1,0,1]=4 215 B12R2.32 NNC1=NC2=C(C=CC=C2)O1 0116640014 [0,1,0,0,1,0|2,0,0]=4 216 B12R2.32 O=CC1=CC2=CC=CC=C2O1 1178897 [0,1,0,0,1,0|0,0,1]=3 217 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 2828881 [0,1,0,0,1,0|0,0,2]=4 218 B12R2.202 FC1=C2N=C(S)OC2=CC=C1 7010485 [0,1,0,0,1,0|1,1,0]=4 219 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 3629147 [0,1,0,0,1,0|1,0,0]=3 220 B12R2.202 NC1=C2OC(=O)NC2=CC=C1 1047609 [0,1,0,0,1,0|1,0,0]=3 221 B12R2.202 O=C1CC2=C(Cl)C=CC=C2N1 6932228 [0,1,0,0,1,0|1,0,0]=3 222 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 1367372 [0,1,0,0,1,0|1,0,0]=3 223 B12R2.606 CC1=NC2=CC(O)=CC=C2O1 2085864 [0,1,0,0,1,0|2,0,0]=4 224 B12R2.606 CC1=NC2=CC=C(O)C=C2O1 2085775 [0,1,0,0,1,0|2,0,0]=4 225 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 7020694178 [0,1,0,0,1,0|1,0,0]=3 226 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 2204842 [0,1,0,0,1,0|2,0,0]=4 227 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 1047637 [0,1,0,0,1,0|1,0,0]=3 228 B12R2.606 NC1=CC=C2OC(=O)NC2=C1 1047623 [0,1,0,0,1,0|1,0,0]=3 229 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 1371374 [0,1,0,0,1,0|1,0,0]=3 230 B12R2.606 O=C1CC2=CC(O)=CC=C2N1 1392635 [0,1,0,0,1,0|1,0,0]=3 231 B12R2.606 O=C1NC2=CC=C(Br)C=C2O1 1499987 [0,1,0,0,1,0|1,0,0]=3 232 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 1499983 [0,1,0,0,1,0|2,0,0]=4 233 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 0124140098 [0,1,0,0,1,0|1,0,0]=3 234 B12R2.606 S=C1NC2=CC(Cl)=CC=C2O1 3644667 [0,1,0,0,1,0|1,1,0]=4 235 B14R2.287 O=C1CNC(=O)C2=C(C=CC=C2)N1 1099353 [0,1,0,0,0,1|1,0,1]=4 236 B14R2.380 O=C1CCCC2=CC=C(Cl)C=C2N1 2049533 [0,1,0,0,0,1|1,0,0]=3 237 B14R2.738 CC1CC(=O)NC2=C(C=CC=C2)N1 1056568 [0,1,0,0,0,1|1,0,0]=3 238 B14R2.4513 CN1C(=O)COC2=C1C=C(N)C=C2 7020410114 [0,2,0,0,0,0|2,0,0]=4 239 B14R2.4513 CN1C(=O)COC2=CC=C(N)C=C21 7020710003 [0,2,0,0,0,0|2,0,0]=4 240 B14R2.8038 CN1C(=O)COC2=C(N)C=CC=C21 1112134 [0,2,0,0,0,0|2,0,0]=4 241 B14R2.29369 CN1C(=O)CCC2=C1C=CC(Br)=C2 1918463 [0,2,0,0,0,0|1,0,0]=3 242 B14R2.29369 CN1C(=O)CCC2=C1C=CC(N)=C2 1562204 [0,2,0,0,0,0|1,0,0]=3 243 B14R2.29369 CN1C(=O)COC2=CC(N)=CC=C21 7020710002 [0,2,0,0,0,0|2,0,0]=4 244 B14R2.134 O=CC1=CC=C2OCC(=O)NC2=C1 1210481 [0,2,0,0,0,0|2,0,0]=4 245 B14R2.781 CC(=O)N1CCC2=C(C=CC=C2)C1 7112893478 [0,2,0,0,0,0|2,0,0]=4 246 B14R2.781 NC(=O)C1COC2=CC=CC=C2O1 0103080016 [0,2,0,0,0,0|1,0,1]=4 247 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)OC1 1156697 [0,2,0,0,0,0|2,0,0]=4 248 B14R2.1128 CCC1OC2=CC=CC=C2NC1=O 1182339 [0,2,0,0,0,0|2,0,0]=4 249 B14R2.1128 N#CC1CC2=CC=CC=C2NC1=O 1049280 [0,2,0,0,0,0|1,0,0]=3 250 B14R2.8239 CC1=CC=C2NC(=O)C(C)OC2=C1 2115235 [0,2,0,0,0,0|2,0,0]=4 251 B14R2.8239 CC1OC2=CC=C(Cl)C=C2NC1=O 1258382 [0,2,0,0,0,0|2,0,0]=4 252 B14R2.8239 CC1OC2=CC=C(N)C=C2NC1=O 3585767 [0,2,0,0,0,0|2,0,0]=4 253 B14R2.8239 CC1OC2=CC=C(N)C=C2NC1=O 7020710126 [0,2,0,0,0,0|2,0,0]=4 254 B14R2.8239 NC1CC2=C(C=CC(Br)=C2)NC1=O 5697825 [0,2,0,0,0,0|1,0,0]=3 255 B14R2.8239 NC1CC2=C(C=CC(Cl)=C2)NC1=O 5682860 [0,2,0,0,0,0|1,0,0]=3 256 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(O)=C2 7117171611 [0,2,0,0,0,0|0,0,2]=4 257 B14R2.29365 CC1=CC(Br)=C2OCC(=O)NC2=C1 2208003 [0,2,0,0,0,0|2,0,0]=4 258 B14R2.29365 CC1=CC(N)=C2OCC(=O)NC2=C1 2205191 [0,2,0,0,0,0|2,0,0]=4 259 B14R2.29365 NC1=C2OCC(=O)NC2=CC(Cl)=C1 2205766 [0,2,0,0,0,0|2,0,0]=4 260 B14R2.8045 CC1=C2OC(=O)C=C(O)C2=CC=C1 6850304 [0,2,0,0,0,0|0,0,2]=4 261 B14R2.8235 CC1=CC=C2OC(=O)C=C(O)C2=C1 1392626 [0,2,0,0,0,0|0,0,2]=4 262 B14R2.8235 O=C1C=C(O)C2=CC(F)=CC=C2O1 5009339 [0,2,0,0,0,0|0,0,2]=4 263 B14R2.28472 CC1OC2=C(N)C=CC=C2NC1=O 1112141 [0,2,0,0,0,0|2,0,0]=4 264 B14R2.639 CC1(C)NC2=CC=CC=C2NC1=O 1264641 [0,2,0,0,0,0|2,0,0]=4 265 B14R2.639 CC1(C)OC2=CC=CC=C2NC1=O 1445648 [0,2,0,0,0,0|2,0,0]=4 266 B14R2.29496 CC1(C)CC(O)C2=CC=CC=C2O1 1033633 [0,2,0,0,0,0|1,0,1]=4 267 B14R2.1146 NNC1=CC(=O)OC2=C1C=CC=C2 7110952632 [0,2,0,0,0,0|0,0,2]=4 268 B10R1.15 CCC(=O)C1=CC=CC=C1 1043816 [0,0,1,0,1,0|0,0,0]=2 269 B10R1.15 CCC(C)C1=CC=CC=C1 2827022 [0,0,1,0,1,0|1,0,1]=4 270 B10R1.15 CCC(N)C1=CC=CC=C1 1146635 [0,0,1,0,1,0|1,0,1]=4 271 B10R1.15 CNC(=O)C1=CC=CC=C1 5032223 [0,0,1,0,1,0|1,0,0]=3 272 B10R1.15 COC(=O)C1=CC=CC=C1 2132029 [0,0,1,0,1,0|1,0,0]=3 273 B10R1.15 COC(=O)C1=CC=NC=C1 2084305 [0,0,1,0,1,0|2,0,0]=4 274 B10R1.15 COC(=O)C1=NC=CC=C1 1311479 [0,0,1,0,1,0|2,0,0]=4 275 B10R1.15 CSC(=N)C1=CC=CC=C1 22430530 [0,0,1,0,1,0|2,0,0]=4 276 B10R1.15 NCC(=O)C1=CC=CC=C1 1042947 [0,0,1,0,1,0|1,0,0]=3 277 B10R1.15 NNC(=O)C1=CC=CC=C1 1778868 [0,0,1,0,1,0|2,0,0]=4 278 B10R1.15 O=C(CBr)C1=CC=CC=C1 2125402 [0,0,1,0,1,0|1,0,0]=3 279 B10R1.15 O=C(CBr)C1=CC=NC=C1 5980437 [0,0,1,0,1,0|2,0,0]=4 280 B10R1.15 O=C(CBr)C1=CN=CC=C1 4763913 [0,0,1,0,1,0|2,0,0]=4 281 B10R1.15 O=CC(=O)C1=CC=CC=C1 2826987 [0,0,1,0,1,0|1,0,1]=4 282 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 1287341 [0,0,1,0,1,0|1,0,0]=3 283 B10R1.61 CC(=O)C1=C(F)C=NC=C1 6902362 [0,0,1,0,1,0|2,0,0]=4 284 B10R1.61 CC(=O)C1=C(O)C=CC=C1 1778867 [0,0,1,0,1,0|1,0,0]=3 285 B10R1.61 CC(=O)C1=CC=CC=C1N 2827048 [0,0,1,0,1,0|1,0,0]=3 286 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 1051707 [0,0,1,0,1,0|1,0,0]=3 287 B10R1.61 CC1=C(C(=O)O)N=CC=C1 2818254 [0,0,1,0,1,0|2,0,0]=4 288 B10R1.61 CC1=C(C(N)=O)C=CC=C1 1375207 [0,0,1,0,1,0|1,0,0]=3 289 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 2827169 [0,0,1,0,1,0|2,0,0]=4 290 B10R1.61 CC1=CC=CC=C1C(=O)O 1901857 [0,0,1,0,1,0|1,0,0]=3 291 B10R1.61 CC1=CC=CC=C1C(N)=S 1288011 [0,0,1,0,1,0|1,1,0]=4 292 B10R1.61 NC(=O)C1=CC=CC=C1N 0125330235 [0,0,1,0,1,0|2,0,0]=4 293 B10R1.61 NC(=O)C1=CC=CC=C1O 2131902 [0,0,1,0,1,0|2,0,0]=4 294 B10R1.61 NC1=C(C(=O)O)C=CC=C1 3585810 [0,0,1,0,1,0|2,0,0]=4 295 B10R1.61 O=C(Cl)C1=CC=CC=C1Cl 1051740 [0,0,1,0,1,0|2,0,0]=4 296 B10R1.61 O=C(Cl)C1=CC=CC=C1F 1051710 [0,0,1,0,1,0|2,0,0]=4 297 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 1902292 [0,0,1,0,1,0|2,0,0]=4 298 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3054308 [0,0,1,0,1,0|2,0,0]=4 299 B10R1.61 O=C(O)C1=C(S)C=CC=C1 2829766 [0,0,1,0,1,0|2,0,0]=4 300 B10R1.61 O=C(O)C1=CC=CC=C1Br 7119571920 [0,0,1,0,1,0|2,0,0]=4 301 B10R1.61 O=C(O)C1=CC=CC=C1F 1901890 [0,0,1,0,1,0|2,0,0]=4 302 B10R1.61 O=C(O)C1=CC=CC=C1O 2129564 [0,0,1,0,1,0|2,0,0]=4 303 B10R1.66 O=C(O)CCC1=CC=CN1 4668011 [0,0,1,0,1,0|1,0,0]=3 304 B10R1.66 O=C(O)CCC1=CC=CO1 7118560814 [0,0,1,0,1,0|1,0,0]=3 305 B10R1.66 O=C(O)CCC1=CC=CS1 7020400395 [0,0,1,0,1,0|1,0,0]=3 306 B10R1.66 O=C(O)CCN1C=CC=C1 2265191 [0,0,1,0,1,0|1,0,0]=3 307 B10R2.7 C1=CC2=C(C=C1)NCC2 2826118 [1,0,0,0,1,0|1,0,0]=3 308 B10R2.7 C1=CC2=C(C=C1)OCC2 2826125 [1,0,0,0,1,0|0,0,0]=2 309 B10R2.7 C1=CC=C2CCCC2=C1 1778681 [1,0,0,0,1,0|0,0,1]=3 310 B10R2.7 C1=CC=C2CNCC2=C1 2087229 [1,0,0,0,1,0|1,0,1]=4 311 B10R2.7 C1=CC=C2NC=CC2=C1 2826038 [1,0,0,0,1,0|1,0,1]=4 312 B10R2.7 C1=CC=C2NC=NC2=C1 1234652 [1,0,0,0,1,0|2,0,0]=4 313 B10R2.7 C1=CC=C2NN=CC2=C1 1435639 [1,0,0,0,1,0|2,0,0]=4 314 B10R2.7 C1=CC=C2OCOC2=C1 2826166 [1,0,0,0,1,0|1,0,0]=3 315 B12R1.252 CC(=O)NCCC1=CC=CC=C1 7112901217 [0,0,1,0,0,1|1,0,0]=3 316 B12R1.252 N=C(N)NCCC1=CC=CC=C1 8916366 [0,0,1,0,0,1|2,0,0]=4 317 B12R1.252 NC(=O)NCCC1=CC=CC=C1 1779976 [0,0,1,0,0,1|1,0,0]=3 318 B12R1.252 O=C(O)CCCC1=CC=CN=C1 1780062 [0,0,1,0,0,1|1,0,0]=3 319 B12R1.252 O=C(O)CCNC1=CC=CC=C1 1142576 [0,0,1,0,0,1|0,0,0]=2 320 B12R1.252 O=C(O)CCNC1=NC=CC=N1 2140215 [0,0,1,0,0,1|2,0,0]=4 321 B12R1.252 O=C(O)CCOC1=CC=CC=C1 0125160240 [0,0,1,0,0,1|0,0,0]=2 322 B12R1.252 O=C(O)CCSC1=CC=CC=C1 7020661248 [0,0,1,0,0,1|0,0,0]=2 323 B12R1.252 O=C(O)CNCC1=CC=CC=C1 1276806 [0,0,1,0,0,1|0,0,0]=2 324 B12R1.252 O=C(O)CNCC1=CC=CC=C1 3037016 [0,0,1,0,0,1|0,0,0]=2 325 B12R1.252 O=C(O)COCC1=CC=CC=C1 2048919 [0,0,1,0,0,1|0,0,0]=2