0 B10R1.172 C#CC1=CC=CC(=C1)C#N PH000486 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.172 COC1=CN=CC(=C1)C#N ADE000443 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.172 COC1=NC(=CC=N1)C=O CDS022680 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.172 N#CC1=CC(=CC=C1)CS OTV000789 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.2 COC1=CC(=NC=N1)I SYX00370 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,0,0,0,0,0|0,1,0]=2 40 B9R1.2 CSC1=NC=CC(=N1)O S217336 [1,0,0,0,0,0|2,1,0]=4 41 B9R1.2 CSC1=NC=CC(=N1)O S440043 [1,0,0,0,0,0|2,1,0]=4 42 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.9 CCC1=CC(=CC(=[O+]1)CC)C R253030 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.9 COC1=CC(=CC(=C1)CN)F CDS014667 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.9 COC1=CC(=CC(=C1)Cl)C=O CDS022648 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.9 COC1=CC(=CC(=C1)OC)[O-] S860948 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.9 COC1=CC(=NC(=N1)OC)S T161861 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.189 C/N=C/C1=CC=CC(=C1)OC S683248 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.189 CCNC1=CC(=CC=C1)CC PH012321 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.189 COC1=CN=CC(=C1)/C=N/O ADE000506 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.189 COCC1=CC=CC(=C1)CBr CDS024084 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CDS004820 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.266 CCC1=CC=CC(=C1)B(O)O SYX00037 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.266 CN(C)C1=CC(=CC=C1)C#N S869449 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.266 COC1=CC(=CC=C1)C(C)O S460761 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.266 COC1=CC(=CC=C1)N(C)C CDS001202 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.266 COC1=CC(=CC=N1)B(O)O CDS007799 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.266 COC1=CC(=NC=C1)C(=O)O ADE000258 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.266 COC1=CC=CC(=C1)C(C)N CDS002381 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.266 COC1=CC=CC(=N1)B(O)O BML00260 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.266 CSC1=CC=CC(=C1)[N+](=O)[O-] S549835 [0,1,0,0,0,0|2,1,0]=4 69 B11R1.267 CCC1=CC=CC(=C1Br)CC S638986 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.267 CCC1=CC=CC(=C1F)CC S567299 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.267 CCC1=CC=CC(=C1O)CC CBR02039 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.267 COC1=CC=CC(=C1C)NN PH019503 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.267 COC1=CC=CC(=C1N)OC CDS017316 [0,1,0,0,0,0|0,0,0]=1 74 B11R1.267 COC1=CN=CC(=C1I)C#N ADE000541 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.267 COC1=CN=CC(=C1N)C#N ADE000601 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.280 CCC1=CC(=CC=C1F)CN PH018805 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.280 CCC1=CC(=CC=C1N)C#N CDS000771 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.280 COC1=CC(=C(C=C1)Br)CCl PH010839 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.280 COC1=CC(=C(C=C1)Br)CO PH010837 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.280 COC1=CC(=C(C=C1)Cl)CO TMT00626 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.280 COC1=CC(=C(C=C1)F)C#N MNO000003 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.280 COC1=CC(=C(N=C1)I)OC ADE000213 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.280 COC1=CC(=CC=C1Br)C#N CDS023049 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.280 COC1=CC(=CC=C1F)CO CDS013926 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.280 CSC1=CC=C(C(=C1)C=O)O PH008479 [0,1,0,0,0,0|2,1,0]=4 86 B9R0.26 COC(=O)/C=C(\CCl)/OC T287059 [0,0,1,0,0,0|2,0,1]=4 87 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [0,0,1,0,0,0|2,0,1]=4 88 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [1,0,1,0,0,0|1,0,1]=4 89 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|1,0,1]=4 91 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|1,0,1]=4 92 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|1,0,1]=4 93 B8R1.2 COC1=NC=CC=N1 CDS005079 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|1,1,0]=4 98 B8R1.4 CC1=CC(=O)NC=C1 T162655 [2,0,0,0,0,0|1,0,1]=4 99 B8R1.4 CC1=CC=CC(=C1)N R647047 [2,0,0,0,0,0|1,0,0]=3 100 B8R1.4 CC1=CC=CC(=O)N1 S766364 [2,0,0,0,0,0|1,0,1]=4 101 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [2,0,0,0,0,0|1,0,0]=3 102 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.4 OC1=CC=CC(=N1)O S458678 [2,0,0,0,0,0|1,0,0]=3 106 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [1,1,0,0,0,0|0,0,0]=2 112 B10R1.2 COC1=C(C(=NC=C1)N)I ADE000406 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.8 C#CC1=CC(=CC(=C1)C)C CDS021024 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.8 COC1=CC(=[O+]C(=C1)C)C R251313 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S242004 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S272183 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.8 CSC1=CC(=[O+]C(=C1)C)C S874264 [1,1,0,0,0,0|1,1,0]=4 129 B10R1.8 CSC1=CC(=[S+]C(=C1)C)C S874256 [1,1,0,0,0,0|1,1,0]=4 130 B10R1.8 N#CC1=CC(=CC(=C1)Cl)O CDS015881 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.8 [C-]#[N+]C1=CC(=CC(=C1)C)C PH015602 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|1,1,0]=4 141 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.10 COCC1=CC=CC(=N1)C S352160 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|1,1,0]=4 145 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [1,1,0,0,0,0|0,0,0]=2 160 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [1,1,0,0,0,0|0,0,1]=3 168 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [1,1,0,0,0,0|1,1,0]=4 169 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [1,1,0,0,0,0|0,0,0]=2 195 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [1,1,0,0,0,0|1,0,0]=3 196 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [1,1,0,0,0,0|0,0,0]=2 198 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [1,1,0,0,0,0|0,0,0]=2 200 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [1,1,0,0,0,0|0,1,0]=3 201 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [1,1,0,0,0,0|0,1,0]=3 202 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [1,1,0,0,0,0|1,1,0]=4 203 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [1,1,0,0,0,0|0,1,0]=3 204 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [1,1,0,0,0,0|1,0,1]=4 206 B10R1.39 COC1=C(OC=C1)C(=O)C T285056 [0,1,0,0,1,0|2,0,0]=4 207 B12R1.11 COC1=CC(=CC(=C1)B(O)O)F CDS006266 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.58 COC1=CC(=CC(=C1)CBr)CBr S323055 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.58 COC1=CC(=CC(=C1)CCl)CCl S339326 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.58 COC1=CC(=NC(=N1)OC)SN T161845 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.300 C(=O)C1=CC(=CC(=C1O)Br)OC S804304 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.300 COC1=C(C(=CC(=C1)CO)Br)O S846619 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.300 COC1=C(C(=CC(=C1)CO)Cl)O S551856 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.300 COC1=CC(=C(C(=C1)CO)C)Br S324019 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.300 COC1=NC(=C(C(=N1)C)I)OC PH017928 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.278 CCCC1=CC=CC(=C1)CCC R247359 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.278 CCOC1=CC=CC(=C1)CC#N PH009874 [0,2,0,0,0,0|1,0,1]=4 218 B12R1.279 CCOC1=CC(=CC=C1)C(=S)N BOG00040 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.279 CCOC1=CC=CC(=C1)[C@@H](C)N CDS015862 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.279 CCOC1=CC=CC(=C1)[N+](=O)[O-] S519375 [0,2,0,0,0,0|2,0,0]=4 221 B12R1.279 CN(C)C1=CC=CC(=C1)CCO CDS009547 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.279 COCC1=CC=CC(=C1)C(=O)O CDS011694 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.280 COC1=CC=CC(=C1O)/C=N/O R787698 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.280 COC1=CC=CC(=C1O)CC#N PH011489 [0,2,0,0,0,0|1,0,1]=4 225 B12R1.286 CCOC1=CC=C(C(=C1)C=O)O ASX00006 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.286 COC1=C(C=CC(=C1)SC#N)O PH002431 [0,2,0,0,0,0|0,1,1]=4 227 B12R1.286 COC1=CC(=CC=C1N)SC#N S587141 [0,2,0,0,0,0|0,1,1]=4 228 B12R1.286 COC1=CC(=CC=C1O)C=NO BOG00281 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.286 COC1=CC(=CC=C1O)C=NO S539570 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.382 C#CCOC1=CC=CC(=C1)C=O CBR01578 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.382 CCCOC1=CC=CC(=C1)C=O CDS007421 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.382 COC1=CC(=CC=C1)CCCN CBR01749 [0,2,0,0,0,0|1,0,0]=3 233 B12R1.382 COC1=CC(=CC=C1)CCCO PH016113 [0,2,0,0,0,0|1,0,0]=3 234 B12R1.382 COC1=CC(=CC=C1)OCCN R414409 [0,2,0,0,0,0|0,0,0]=2 235 B12R1.382 COC1=CC=CC(=C1)/C=C/C#N PH011241 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.382 COC1=CC=CC(=C1)CCNN PH019074 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.382 COC1=CC=CC(=C1)OCC#N OTV000048 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.382 COC1=CN=CC(=C1)C#CCO ADE000382 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.382 O=CC1=CC=CC(=C1)OCCO CDS000173 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.435 CNC(C)C1=CC(=CC=C1)OC CBR01308 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.435 COC(=O)C1=CC(=CC=C1)CN CDS003045 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.435 COC(=O)C1=CC=CC(=C1)CCl S881988 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.435 COC(=O)C1=NC=CC(=C1)OC ADE000350 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.435 COC1=CC(=CC=C1)/C(=N/O)/C PH010759 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [0,2,0,0,0,0|1,0,1]=4 246 B12R1.435 COC1=CC=CC(=C1)C(Br)CBr PH006231 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.438 C#CC1=CC(=CC=C1)OC(F)F CDS010881 [0,2,0,0,0,0|1,0,1]=4 248 B12R1.438 C(=O)C1=CC(=CC=C1)OC(=O)C R267635 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.438 CC(=O)OC1=CC(=CC=C1)C#N S344893 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.438 CC(C)OC1=CC=CC(=C1)C=O CDS005989 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.438 CCC1=CC(=CC=C1)NC(=O)C PH007204 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.438 COC1=CC(=CC=C1)CC(=O)N PH011680 [0,2,0,0,0,0|1,0,1]=4 253 B12R1.438 COC1=CC(=CC=C1)CN(C)N PH013329 [0,2,0,0,0,0|1,0,0]=3 254 B12R1.438 COC1=CC(=CC=C1)NC(=O)N S576743 [0,2,0,0,0,0|1,0,1]=4 255 B12R1.438 COC1=CC(=CC=C1)NC(=S)C PH008496 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S312428 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.438 COC1=CC=CC(=C1)NC(=O)C S389684 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.438 COC1=CC=CC(=C1)NC(=S)N R617539 [0,2,0,0,0,0|1,0,1]=4 259 B12R1.438 COC1=CC=CC(=C1)NC(=S)N S223026 [0,2,0,0,0,0|1,0,1]=4 260 B12R1.438 COC1=CC=CC(=C1)OC(=O)C S561207 [0,2,0,0,0,0|0,0,0]=2 261 B12R1.438 CSC1=CC(=CC=C1)CN(C)N PH007580 [0,2,0,0,0,0|1,1,0]=4 262 B12R1.438 CSC1=CC=CC(=C1)NC(=O)C S545570 [0,2,0,0,0,0|1,1,0]=4 263 B12R1.438 FC(F)OC1=CC(=CC=C1)CBr CDS004581 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.56 CNC1=CC(=CC=C1C)C(C)C S893048 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.56 COC1=C(C=CC(=C1)C(=S)N)O VBP00049 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.56 COC1=CC(=CC=C1Br)C(=O)O CDS005772 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.56 COC1=CC(=CC=C1C)B(O)O CDS020070 [0,2,0,0,0,0|2,0,0]=4 268 B12R1.56 COC1=CC(=CC=C1Cl)B(O)O CDS007828 [0,2,0,0,0,0|2,0,0]=4 269 B12R1.56 COC1=CC(=CC=C1Cl)C(=O)O ANV00031 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.56 COC1=CC(=CC=C1F)B(O)O CDS004272 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.56 COC1=CC(=CC=C1I)[N+](=O)[O-] S362824 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.258 CC(=O)C1=CC=CC(=C1)N(C)C CDS000329 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.436 COC1=CC(=CC=C1)C(C)(C)O PH010478 [0,2,0,0,0,0|1,0,0]=3 274 B12R1.436 COC1=CC=CC(=C1)C(C)(C)N CDS008388 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.440 CCC1=CC=CC(=C1N)C(C)C S669296 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.440 COC1=C(C(=CC=C1)C(=O)O)C CDS014094 [0,2,0,0,0,0|2,0,0]=4 277 B12R1.440 COC1=CC=CC(=C1Br)[N+](=O)[O-] TMT00303 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.440 COC1=CC=CC(=C1N)[N+](=O)[O-] CDS020857 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.440 COC1=CC=CC(=C1O)B(O)O CDS006533 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.453 COC1=CC=C(C(=C1)B(O)O)Cl BML00130 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.453 COC1=CC=C(C(=C1)C(=O)N)N BBO000414 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)Cl ANV00090 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.453 COC1=CC=C(C(=C1)[N+](=O)[O-])I S544981 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.654 C(=O)C1=C(C(=CC=C1Br)OC)F RNI00133 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.654 C(=O)C1=C(C(=CC=C1I)OC)O L134902 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.1879 COC1=CC=CC(=C1C#N)OC R427128 [0,2,0,0,0,0|0,0,0]=2 287 B12R1.1879 COC1=CC=CC(=C1CN)OC T151130 [0,2,0,0,0,0|0,0,0]=2 288 B12R1.1879 COC1=CC=CC(=C1OC)SC R160598 [0,2,0,0,0,0|0,1,0]=3 289 B12R1.1879 COC1=CC=CC(=C1OC)SC S468444 [0,2,0,0,0,0|0,1,0]=3 290 B12R1.78 C#CC1=CC=C(C(=C1)OC)OC CDS008050 [0,2,0,0,0,0|1,0,1]=4 291 B12R1.78 COC1=CC(=CC=C1C#N)CBr CDS023567 [0,2,0,0,0,0|2,0,0]=4 292 B12R1.78 COC1=CC(=CC=C1CBr)C#N CDS022455 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.78 COC1=CC=C(C(=C1)CCl)OC S808725 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.78 COC1=CC=C(C(=C1)OC)[Hg]Cl S880906 [0,2,0,0,0,0|0,0,0]=2 295 B12R1.78 COC1=CC=C(C(=N1)OC)OC ADE001428 [0,2,0,0,0,0|1,0,0]=3 296 B12R1.449 C(=O)C1=C(C=C(C(=C1)OC)O)Br S107026 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.449 COC1=C(C=C(C(=C1)C#N)Br)O VBP00086 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.449 COC1=CC(=C(C=C1Cl)N)OC S458562 [0,2,0,0,0,0|0,0,0]=2 299 B12R1.449 COC1=CC(=C(C=C1I)Cl)OC S359467 [0,2,0,0,0,0|0,0,0]=2 300 B12R1.449 COC1=CC(=C(C=C1N)C)OC PH008820 [0,2,0,0,0,0|0,0,0]=2 301 B12R1.449 COC1=CC(=C(C=C1N)F)OC MNO000177 [0,2,0,0,0,0|0,0,0]=2 302 B12R1.449 COC1=CC(=C(N=C1I)I)OC ADE000500 [0,2,0,0,0,0|1,0,0]=3 303 B10R1.161 COC1=CC=CC=CC=C1 T179892 [0,0,1,1,0,0|1,0,1]=4 304 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,1,1,0,0|1,0,1]=4 305 B10R1.78 C=C1C=CC=CCCCC1 T211605 [0,0,1,1,0,0|2,0,0]=4 306 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [0,1,0,1,0,0|1,0,0]=3 307 B12R2.44 COC1=CC=C2OCOC2=C1 PH008541 [0,1,0,1,0,0|0,0,0]=2 308 B12R2.44 NNC1=CC=C2OCOC2=C1 CBR00760 [0,1,0,1,0,0|2,0,0]=4 309 B12R2.315 COC1=CC=CC2=C1CCN2 CDS009131 [0,1,0,1,0,0|1,0,0]=3 310 B12R2.315 COC1=CC=CC2=C1CNC2 CDS023355 [0,1,0,1,0,0|1,0,0]=3 311 B10R1.3 C#CC1=CC=C(C=N1)OC CDS023940 [0,0,0,0,1,1|1,0,1]=4 312 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [0,0,0,0,1,1|2,0,0]=4 313 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [0,0,0,0,1,1|2,0,0]=4