0 B8R1.4 BrC1=CC(=NC=N1)Br BCH00053 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,0,0,0,0,0|0,0,4]=4 6 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.4 CC1=NC=NC(=C1)S R901148 [0,0,0,0,0,0|2,1,0]=3 12 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.4 ClC1=CN=NC(=C1)Cl MNO000179 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.4 FC1=CC(=NC=N1)F CDS002862 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.4 IC1=CC(=NC=N1)I SYX00025 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.3 BrC1=CC=CN=N1 CDS023312 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.3 BrC1=CN=CC=N1 CDS005022 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.3 BrC1=CN=NC=C1 CDS022809 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.3 CC1=CC=NC=C1 T256412 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.3 CC1=CC=NC=C1 T330418 [1,0,0,0,0,0|1,0,0]=2 40 B7R1.3 NC1=CC=CC=C1 S698326 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.3 NC1=CC=CC=N1 S822329 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.3 NC1=CC=NN=C1 CDS006078 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.3 O=C1C=CC=CN1 T160121 [1,0,0,0,0,0|1,0,1]=3 44 B7R1.3 O=C1C=CNC=C1 T161470 [1,0,0,0,0,0|1,0,1]=3 45 B7R1.3 O=C1C=CSC=C1 T162035 [1,0,0,0,0,0|1,0,1]=3 46 B7R1.3 OC1=CC=NC=C1 CDS013613 [1,0,0,0,0,0|1,0,0]=2 47 B7R1.3 S=C1C=CSC=C1 S874310 [1,0,0,0,0,0|1,1,0]=3 48 B7R1.3 SC1=NC=CC=N1 S565652 [1,0,0,0,0,0|2,1,0]=4 49 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [1,0,0,0,0,0|0,0,1]=2 50 B7R1.3 [O-]C1=CN=CC=N1 S451452 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.3 [S-]C1=CC=CC=C1 S578991 [1,0,0,0,0,0|0,1,0]=2 52 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [0,1,0,0,0,0|1,0,1]=3 54 B9R1.2 C#CC1=CC(=NC=C1)Cl RNI00128 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,0,0,0|0,0,1]=2 58 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,0,0,0|1,0,0]=2 59 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,0,0,0|0,1,0]=2 60 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,0,0,0|1,0,1]=3 64 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,0|1,0,0]=2 69 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,1,0,0,0,0|1,0,0]=2 71 B9R1.2 COC1=CC(=NC=N1)I SYX00370 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,1,0,0,0,0|1,0,0]=2 73 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,1,0,0,0,0|2,0,0]=3 74 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,0,0,0|1,0,0]=2 77 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,0,0,0|0,0,0]=1 82 B9R1.2 CSC1=NC(=CC=N1)I SYX00298 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 CSC1=NC=CC(=N1)O S217336 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.2 CSC1=NC=CC(=N1)O S440043 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.2 CSC1=NC=NC(=C1)Cl SYX00015 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [0,1,0,0,0,0|1,0,1]=3 89 B9R1.2 N#CC1=CC=NC(=C1)Br CDS003642 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.2 N#CC1=CC=NC(=C1)N CDS000695 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.2 N#CC1=NC=CC(=C1)Br CDS022066 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,0,0,0|0,0,0]=1 93 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [0,1,0,0,0,0|2,0,1]=4 100 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [0,1,0,0,0,0|1,0,1]=3 101 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.3 CC1=C(C(=NC=N1)O)F S217212 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.3 CC1=C(C=NC=C1Br)N CDS022526 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.3 CC1=NC=NC(=C1O)O S217778 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.3 CN1C=CC=[N+](C1=O)C S139823 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.3 ClC1=C(C=NC=C1Br)Br ADE001379 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.3 FC1=CC=NC(=C1I)F MNO000157 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.3 FC1=CN=CC(=C1Br)F SYX00175 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.3 NC1=C(C(=CN=C1)Br)O ADE000768 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [0,1,0,0,0,0|1,0,0]=2 132 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.3 NC1=C(C=NC=C1I)I VBP00076 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.3 NC1=CC=CC(=C1N)N S915041 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.3 NC1=NC=CC(=C1I)Cl ADE000408 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [0,1,0,0,0,0|1,1,0]=3 146 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.34 CC1=CC(=NC(=N1)S)C R432288 [0,1,0,0,0,0|2,1,0]=4 157 B9R1.34 CC1=CC(=NC(=N1)S)C S439029 [0,1,0,0,0,0|2,1,0]=4 158 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,1,0,0,0,0|1,1,0]=3 160 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.34 FC1=CC(=CC(=C1)S)F CDS003868 [0,1,0,0,0,0|1,1,0]=3 166 B9R1.34 N1C(=S)C=C(NC1=S)C S70662 [0,1,0,0,0,0|2,1,0]=4 167 B9R1.34 N1C(=S)N=C(C=C1C)C S25004 [0,1,0,0,0,0|2,1,0]=4 168 B9R1.34 NC1=CC(=CC(=C1)Cl)N S751774 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.34 NC1=CC(=CC(=C1)F)Cl CDS002929 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.34 NC1=CC(=NC(=N1)N)O R276863 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.34 NC1=CC(=NC(=N1)O)S S790060 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.34 NC1=NC(=CC(=C1)Cl)Cl CDS005457 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.34 [O-][N+]1=CC(=CC(=C1)Br)Br S877360 [0,1,0,0,0,0|2,0,1]=4 174 B9R1.69 BrC1=CN=C(C(=C1)Br)Br PH005118 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.69 BrC1=CN=C(C(=C1)I)I ADE000168 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,1,0,0,0,0|1,0,0]=2 181 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,1,0,0,0,0|1,0,0]=2 182 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,1,0,0,0,0|0,0,0]=1 183 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,1,0,0,0,0|0,1,0]=2 184 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [0,1,0,0,0,0|1,0,1]=3 188 B9R1.69 CC1=C(C=[N+](C=C1)[O-])Cl T161411 [0,1,0,0,0,0|2,0,1]=4 189 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,1,0,0,0,0|1,0,0]=2 194 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,1,0,0,0,0|1,0,0]=2 195 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,1,0,0,0,0|1,0,0]=2 197 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,1,0,0,0,0|1,0,0]=2 204 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,1,0,0,0,0|1,0,0]=2 205 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,1,0,0,0,0|1,0,0]=2 206 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,1,0,0,0,0|1,0,0]=2 207 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,1,0,0,0,0|1,0,0]=2 208 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [0,1,0,0,0,0|2,0,0]=3 210 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,1,0,0,0,0|1,0,0]=2 217 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.69 CC1=C[N+](=CC=[N+]1[O-])[O-] PH009723 [0,1,0,0,0,0|2,0,1]=4 220 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,1,0,0,0,0|2,0,0]=3 223 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.69 CN1N=C(C=CC1=O)Br CBR00173 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.69 ClC1=CC(=CN=C1Cl)Br CDS003025 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.69 ClC1=CC=C(N=C1Cl)Br ADE000573 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.69 ClC1=CN=C(C(=C1)Cl)Br CDS003979 [0,1,0,0,0,0|3,0,0]=4 231 B9R1.69 ClC1=CN=C(C(=C1)I)Cl ADE000151 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.69 ClC1=CN=C(C(=C1)I)I ADE000190 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.69 ClC1=NC(=CC=C1I)Br ADE000551 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.69 ClC1=NC=C(C=C1I)Br ADE000303 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.69 FC1=C(C=CC(=N1)Cl)I BCH00052 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,1,0,0,0,0|1,1,0]=3 241 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,1,0,0,0,0|1,1,0]=3 242 B9R1.69 FC1=CN=C(C(=C1)I)Cl ADE000396 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [0,1,0,0,0,0|2,0,1]=4 244 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [0,1,0,0,0,0|1,1,0]=3 245 B9R1.69 NC1=C(C=C(C=N1)I)I BCH00048 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.69 NC1=CC(=CN=C1Br)Br ADE000414 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.69 NC1=CC(=CN=C1Br)I ADE000540 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,1,0,0,0,0|2,0,0]=3 252 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,1,0,0,0,0|2,0,0]=3 253 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [0,1,0,0,0,0|1,0,0]=2 254 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [0,1,0,0,0,0|2,0,0]=3 257 B9R1.69 NC1=CC=C(N=C1Cl)Br ADE000545 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.69 NC1=CC=C(N=C1Cl)I ADE000546 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.69 NC1=NC=C(C=C1Br)Br R464333 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.69 NC1=NC=C(C=C1I)Cl ADE000363 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.69 NC1=NC=C(C=C1I)F ADE000390 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,1,0,0,0,0|2,0,0]=3 265 B9R1.69 O=C1[N-]C=C(C=C1Br)Br S433098 [0,1,0,0,0,0|3,0,0]=4 266 B9R1.69 OC1=C(C=C(C=N1)Br)Br S376981 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.69 OC1=C(C=NC(=N1)S)Cl S173541 [0,1,0,0,0,0|3,0,0]=4 268 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [0,1,0,0,0,0|3,0,0]=4 269 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [0,1,0,0,0,0|1,0,0]=2 270 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [0,1,0,0,0,0|1,0,0]=2 271 B9R1.69 OC1=CC(=CN=C1Br)Br ADE000498 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.69 OC1=CC(=CN=C1Br)I ADE000476 [0,1,0,0,0,0|2,0,0]=3 273 B9R1.69 OC1=CC(=CN=C1Cl)Br ADE000395 [0,1,0,0,0,0|2,0,0]=3 274 B9R1.69 OC1=CC(=CN=C1Cl)Cl ADE000179 [0,1,0,0,0,0|2,0,0]=3 275 B9R1.69 OC1=CC(=CN=C1I)Br ADE000419 [0,1,0,0,0,0|2,0,0]=3 276 B9R1.69 OC1=CC(=CN=C1I)I ADE000562 [0,1,0,0,0,0|2,0,0]=3 277 B9R1.69 OC1=CC(=CN=C1O)Cl S453668 [0,1,0,0,0,0|2,0,0]=3 278 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [0,1,0,0,0,0|1,0,0]=2 279 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.69 OC1=NC=C(C=C1I)Br ADE000304 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.69 OC1=NC=C(C=C1I)Cl ADE000152 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.69 OC1=NC=C(C=C1I)F ADE000397 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.69 OC1=NN=C(C(=C1)Cl)O S344079 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [0,1,0,0,0,0|1,0,1]=3 287 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,0,1,0,0,0|0,0,2]=3 288 B7R0.4 CCO/C=C/C(=O)O CDS016341 [0,0,1,0,0,0|2,0,1]=4 289 B7R0.7 C=CCC(O)/C=C\C S505013 [0,0,1,0,0,0|0,0,2]=3 290 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [0,0,0,0,1,0|3,0,0]=4 291 B7R1.2 BrC1=COC(=C1)Br T266507 [0,0,0,0,1,0|3,0,0]=4 292 B7R1.2 CC1=CSC(=N1)Br CDS007616 [0,0,0,0,1,0|3,0,0]=4 293 B7R1.2 CC1=CSC(=N1)N S366536 [0,0,0,0,1,0|3,0,0]=4 294 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,0,0,0,1,0|3,0,0]=4 295 B7R1.2 CC1=NN=C(S1)O CBR01599 [0,0,0,0,1,0|3,0,0]=4 296 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,0,0,0,1,0|3,0,0]=4 297 B7R1.2 CN1C=C(C=N1)N CDS019978 [0,0,0,0,1,0|3,0,0]=4 298 B7R1.2 CN1C=CC(=N1)Br SYX00074 [0,0,0,0,1,0|3,0,0]=4 299 B7R1.2 CN1C=CC(=N1)N CDS013782 [0,0,0,0,1,0|3,0,0]=4 300 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,0,0,0,1,0|2,0,1]=4 301 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,0,0,0,1,0|3,0,0]=4 302 B7R1.4 CC1=C(C=NO1)I CDS015521 [0,0,0,0,1,0|3,0,0]=4 303 B7R1.4 CC1=C(N=CN1)Br CDS022318 [0,0,0,0,1,0|3,0,0]=4 304 B7R1.4 CC1=CCCC1O T295310 [0,0,0,0,1,0|0,0,3]=4 305 B7R1.4 CC1=NNC=C1I BML00217 [0,0,0,0,1,0|3,0,0]=4 306 B7R1.4 CN1C=CN=C1Cl CDS018561 [0,0,0,0,1,0|3,0,0]=4 307 B7R1.4 CN1C=CN=C1I ANV00120 [0,0,0,0,1,0|3,0,0]=4 308 B7R1.4 CN1C=CN=C1I CDS005078 [0,0,0,0,1,0|3,0,0]=4 309 B7R1.4 CN1C=CN=C1N CBR02443 [0,0,0,0,1,0|3,0,0]=4 310 B7R1.4 CN1C=CSC1=N S945749 [0,0,0,0,1,0|3,0,0]=4 311 B7R1.4 CN1N=CC=C1Br CBR02073 [0,0,0,0,1,0|3,0,0]=4 312 B7R1.4 IC1=CSC=C1I R254975 [0,0,0,0,1,0|3,0,0]=4 313 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,0,0,0,0,1|1,0,2]=4 314 B6R0.4 C=COCC(=C)C T284386 [1,0,1,0,0,0|1,0,1]=4 315 B6R1.1 C1=CC=CC=C1 S458074 [2,0,0,0,0,0|0,0,0]=2 316 B6R1.1 C1=CC=NC=C1 S503533 [2,0,0,0,0,0|1,0,0]=3 317 B8R0.5 C=C(C)CC(O)/C=C/C S504947 [0,1,1,0,0,0|0,0,2]=4 318 B8R0.23 C=C(C)CC(O)C(=C)C S417793 [0,1,1,0,0,0|0,0,2]=4 319 B8R0.23 CC(=O)/C(=C/C(=O)O)/C S548960 [0,1,1,0,0,0|1,0,1]=4 320 B8R0.7 C(=C/C=C/C(C)C)\CO T265454 [0,1,1,0,0,0|0,0,2]=4 321 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,1,1,0,0,0|2,0,0]=4 322 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,1,1,0,0,0|2,0,0]=4 323 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,1,1,0,0,0|0,0,2]=4 324 B8R0.1 C(=C/C(=O)OCC=C)\C S357375 [0,1,1,0,0,0|0,0,2]=4 325 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,1,0,0,0,0|1,0,0]=3 326 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,1,0,0,0,0|1,0,1]=4 327 B8R1.2 C1(C=CCC=C1)CO T175528 [1,1,0,0,0,0|0,0,2]=4 328 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,1,0,0,0,0|0,0,1]=3 329 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,1,0,0,0,0|0,0,1]=3 330 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,1,0,0,0,0|0,0,1]=3 331 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.2 CSC1=NC=CC=N1 SYX00290 [1,1,0,0,0,0|2,0,0]=4 333 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,1,0,0,0,0|1,0,0]=3 334 B8R1.2 NCC1=CC=CC=C1 S696684 [1,1,0,0,0,0|0,0,0]=2 335 B8R1.2 NCC1=CN=CC=C1 S763780 [1,1,0,0,0,0|1,0,0]=3 336 B8R1.2 NCC1=CN=CC=N1 CDS009594 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,1,0,0,0,0|0,0,1]=3 338 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,1,0,0,0,0|0,1,0]=3 340 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,1,0,0,0,0|1,0,1]=4 349 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,1,0,0,0,0|1,0,0]=3 350 B8R1.3 NC1=CC=C(C=C1)N S706698 [1,1,0,0,0,0|1,0,0]=3 351 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,1,0,0,0,0|1,0,0]=3 352 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,1,0,0,0,0|1,0,1]=4 353 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [1,1,0,0,0,0|2,0,0]=4 354 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [1,1,0,0,0,0|2,0,0]=4 355 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [1,1,0,0,0,0|0,1,0]=3 356 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,1,0,0,0,0|1,0,0]=3 357 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,1,0,0,0,0|1,0,0]=3 359 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.5 CC1=NC=CN=C1S PH014228 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.5 C[N+]1=CC=CN=C1N S142433 [1,1,0,0,0,0|2,0,0]=4 363 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,1,0,0,0,0|2,0,0]=4 365 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,1,0,0,0,0|0,1,0]=3 367 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,1,0,0,0,0|1,0,0]=3 368 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.5 NC1=CC=CC=C1O S378569 [1,1,0,0,0,0|0,0,0]=2 370 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [1,1,0,0,0,0|1,0,1]=4 371 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,1,0,0,0,0|1,0,0]=3 372 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,1,0,0,0,0|2,0,0]=4 373 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,1,0,0,0,0|1,0,1]=4 374 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,1,0,0,0,0|1,0,1]=4 375 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,1,0,0,0,0|1,0,0]=3 376 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,1,0,0,0,0|1,0,0]=3 377 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,1,0,0,0,0|1,0,0]=3 378 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,1,0,0,0,0|1,0,0]=3 379 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,0,1,0|1,0,0]=3 380 B8R1.1 CC1=CC(=NO1)CO L482684 [0,1,0,0,1,0|2,0,0]=4 381 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,1,0,0,1,0|2,0,0]=4 382 B8R1.1 CN1C=CC(=C1)C#N CBR01777 [0,1,0,0,1,0|2,0,0]=4 383 B8R1.1 CN1C=NC(=C1)CO CDS017610 [0,1,0,0,1,0|2,0,0]=4 384 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [0,1,0,0,1,0|2,0,0]=4 385 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [0,1,0,0,1,0|2,0,0]=4 386 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,1,0,0,1,0|2,0,0]=4 387 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,1,0,0,1,0|2,0,0]=4 388 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,1,0,0,1,0|1,1,0]=4 389 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,0,1,0|1,0,1]=4 390 B8R1.51 CC1(C=CC(=C1)Br)C T258652 [0,1,0,0,1,0|1,0,1]=4 391 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,1,0,0,1,0|2,0,0]=4 392 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,1,0,0,1,0|1,0,1]=4 393 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,1,0,0,1,0|2,0,0]=4 394 B8R1.11 CN1C=CN=C1CO CDS014909 [0,1,0,0,1,0|2,0,0]=4 395 B10R1.277 CC1=CC=CC(C(=O)N1)C T161365 [0,1,0,0,0,1|1,0,1]=4 396 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [0,2,0,0,0,0|1,0,0]=3 397 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [0,2,0,0,0,0|1,0,0]=3 398 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [0,2,0,0,0,0|1,0,0]=3 399 B10R1.2 CC1=C(C=CC=C1NN)Cl CBR00783 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.2 CC1=C(C=CN=C1CO)Cl T137049 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [0,2,0,0,0,0|1,0,0]=3 402 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,2,0,0,0,0|0,0,0]=2 403 B10R1.2 COC1=C(C(=NC=C1)N)I ADE000406 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,2,0,0,0,0|0,0,0]=2 406 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,2,0,0,0,0|1,0,0]=3 407 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [0,2,0,0,0,0|2,0,0]=4 409 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [0,2,0,0,0,0|2,0,0]=4 410 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [0,2,0,0,0,0|1,0,0]=3 411 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [0,2,0,0,0,0|1,0,0]=3 412 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [0,2,0,0,0,0|1,0,0]=3 413 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [0,2,0,0,0,0|1,0,0]=3 414 B10R1.2 NNC1=CC=CC(=C1Cl)Cl S455369 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [0,2,0,0,0,0|0,0,1]=3 416 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [0,2,0,0,0,0|1,0,1]=4 417 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [0,2,0,0,0,0|0,0,1]=3 418 B10R1.2 OC1=NC=NC(=C1F)CCl S217328 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.2 OC1=NC=NC(=C1F)CF S217018 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [0,2,0,0,0,0|1,0,0]=3 422 B10R1.2 OCC1=CC=NC(=C1F)Cl MNO000071 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.8 C#CC1=CC(=CC(=C1)C)C CDS021024 [0,2,0,0,0,0|1,0,0]=3 424 B10R1.8 C(=O)C1=CC(=NC(=C1)C)Cl JRD0371 [0,2,0,0,0,0|1,0,1]=4 425 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [0,2,0,0,0,0|0,0,1]=3 426 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [0,2,0,0,0,0|1,0,0]=3 427 B10R1.8 CC1=CC(=CC(=N1)C)C#N CBR01586 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.8 CC1=CC(=CC(=N1)Cl)CO JRD0950 [0,2,0,0,0,0|1,0,0]=3 429 B10R1.8 CC1=CC(=CC(=[O+]1)C)CCl S256331 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.8 CC1=CC(=NC(=N1)CN)O PH019082 [0,2,0,0,0,0|2,0,0]=4 431 B10R1.8 COC1=CC(=[O+]C(=C1)C)C R251313 [0,2,0,0,0,0|1,0,0]=3 432 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S242004 [0,2,0,0,0,0|1,0,0]=3 433 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S272183 [0,2,0,0,0,0|1,0,0]=3 434 B10R1.8 CSC1=CC(=[O+]C(=C1)C)C S874264 [0,2,0,0,0,0|1,1,0]=4 435 B10R1.8 CSC1=CC(=[S+]C(=C1)C)C S874256 [0,2,0,0,0,0|1,1,0]=4 436 B10R1.8 CSC1=NC(=NC(=C1)C)O S784125 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.8 ClCC1=CC(=CC(=C1)Cl)Cl PH011765 [0,2,0,0,0,0|1,0,0]=3 438 B10R1.8 FC1=CC(=CC(=C1)CS)F CDS003557 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.8 N#CC1=CC(=CC(=C1)Br)F CDS003867 [0,2,0,0,0,0|1,0,1]=4 440 B10R1.8 N#CC1=CC(=CC(=C1)Cl)O CDS015881 [0,2,0,0,0,0|0,0,1]=3 441 B10R1.8 N#CC1=CC(=CC(=C1)F)N CDS010984 [0,2,0,0,0,0|1,0,1]=4 442 B10R1.8 O=CC1=CC(=CC(=C1)Cl)F L300993 [0,2,0,0,0,0|1,0,1]=4 443 B10R1.8 OCC1=CC(=CC(=C1)F)Cl L300985 [0,2,0,0,0,0|1,0,0]=3 444 B10R1.8 OCC1=CC(=NC(=C1)Cl)Cl MNO000193 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.8 [C-]#[N+]C1=CC(=CC(=C1)C)C PH015602 [0,2,0,0,0,0|1,0,0]=3 446 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,2,0,0,0,0|1,0,0]=3 447 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,2,0,0,0,0|0,0,1]=3 448 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,2,0,0,0,0|1,0,0]=3 449 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.10 CC1=NC(=CC=C1)C=NO PH011578 [0,2,0,0,0,0|1,0,0]=3 452 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,2,0,0,0,0|0,0,0]=2 455 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [0,2,0,0,0,0|0,0,0]=2 456 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [0,2,0,0,0,0|1,0,0]=3 459 B10R1.10 CCSC1=NC=CC(=N1)O R903701 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [0,2,0,0,0,0|1,0,0]=3 463 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [0,2,0,0,0,0|1,0,0]=3 465 B10R1.10 ClC1=CC(=CC=C1)C#CI RNI00103 [0,2,0,0,0,0|1,0,1]=4 466 B10R1.10 FC1=CC=CC(=C1)C#CI RNI00108 [0,2,0,0,0,0|1,0,1]=4 467 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [0,2,0,0,0,0|1,0,0]=3 468 B10R1.10 N#CCC1=CC(=CN=C1)Br PHB00054 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.10 N#CCC1=C[N+](=CC=C1)[O-] PH004983 [0,2,0,0,0,0|1,0,1]=4 470 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [0,2,0,0,0,0|1,0,0]=3 471 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [0,2,0,0,0,0|1,0,0]=3 472 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [0,2,0,0,0,0|1,0,0]=3 473 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [0,2,0,0,0,0|1,0,0]=3 474 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [0,2,0,0,0,0|1,0,0]=3 475 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,2,0,0,0,0|1,0,0]=3 476 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [0,2,0,0,0,0|1,0,1]=4 477 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [0,2,0,0,0,0|1,0,0]=3 478 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [0,2,0,0,0,0|1,0,0]=3 479 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,2,0,0,0,0|1,0,0]=3 480 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,2,0,0,0,0|1,0,1]=4 481 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,2,0,0,0,0|1,0,0]=3 482 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,2,0,0,0,0|1,0,0]=3 483 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,2,0,0,0,0|0,0,0]=2 484 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,2,0,0,0,0|1,0,1]=4 485 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,2,0,0,0,0|1,0,0]=3 486 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.30 CC1=CN=C(C(=C1)C#N)Cl ADE000761 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [0,2,0,0,0,0|1,0,1]=4 489 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [0,2,0,0,0,0|1,0,1]=4 490 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [0,2,0,0,0,0|1,0,0]=3 491 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,2,0,0,0,0|1,0,0]=3 494 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,2,0,0,0,0|1,0,0]=3 496 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,2,0,0,0,0|1,0,0]=3 497 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,2,0,0,0,0|1,0,0]=3 498 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,2,0,0,0,0|1,0,0]=3 499 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,2,0,0,0,0|1,0,0]=3 500 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,2,0,0,0,0|1,0,0]=3 501 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,2,0,0,0,0|1,0,0]=3 502 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,2,0,0,0,0|0,0,0]=2 503 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,2,0,0,0,0|1,0,0]=3 507 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,2,0,0,0,0|0,0,1]=3 511 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,2,0,0,0,0|1,0,0]=3 512 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,2,0,0,0,0|1,0,0]=3 513 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,2,0,0,0,0|1,0,0]=3 514 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [0,2,0,0,0,0|1,0,1]=4 515 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [0,2,0,0,0,0|1,0,1]=4 516 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [0,2,0,0,0,0|1,0,1]=4 517 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,2,0,0,0,0|1,0,1]=4 518 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,2,0,0,0,0|1,0,1]=4 519 B10R1.30 NC1=NC=C(C=C1CO)I ADE000278 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,2,0,0,0,0|1,0,0]=3 521 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,2,0,0,0,0|1,0,0]=3 522 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,2,0,0,0,0|1,0,1]=4 523 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,2,0,0,0,0|1,0,0]=3 524 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,2,0,0,0,0|1,0,0]=3 525 B10R1.30 OCC1=CC(=CN=C1Cl)Br ADE000402 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.30 OCC1=CC(=CN=C1Cl)F ADE000404 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.30 OCC1=CC(=NC=C1Cl)Cl MNO000195 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [0,2,0,0,0,0|1,0,0]=3 529 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,2,0,0,0,0|1,0,0]=3 530 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,2,0,0,0,0|1,0,1]=4 531 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,2,0,0,0,0|1,0,1]=4 532 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,2,0,0,0,0|1,0,0]=3 533 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,2,0,0,0,0|0,0,0]=2 536 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [0,2,0,0,0,0|1,0,1]=4 538 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,2,0,0,0,0|1,0,0]=3 539 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,2,0,0,0,0|1,0,0]=3 540 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,2,0,0,0,0|0,1,0]=3 541 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,2,0,0,0,0|1,0,0]=3 542 B10R1.113 CC1=CN=CC(=C1)B(O)O CDS020146 [0,2,0,0,0,0|1,0,0]=3 543 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,2,0,0,0,0|1,1,0]=4 544 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,2,0,0,0,0|1,0,0]=3 546 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.113 CN(C)C1=CC=CC(=N1)Br CDS004323 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,2,0,0,0,0|1,0,0]=3 551 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,2,0,0,0,0|1,0,1]=4 552 B10R1.113 FC1=CC(=CC=N1)C(F)F MNO000175 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,2,0,0,0,0|0,0,1]=3 555 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,2,0,0,0,0|1,0,1]=4 556 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,2,0,0,0,0|1,0,1]=4 557 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,2,0,0,0,0|1,0,1]=4 559 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,2,0,0,0,0|1,0,1]=4 563 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,2,0,0,0,0|1,0,1]=4 564 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,2,0,0,0,0|1,0,1]=4 569 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.113 OB(O)C1=CC(=NC=C1)Br BCH00001 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.113 OB(O)C1=CC=CC(=N1)Cl CDS022634 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.113 OB(O)C1=CC=NC(=C1)F CDS003936 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.172 C#CC1=CC=CC(=C1)C#N PH000486 [0,2,0,0,0,0|1,0,1]=4 574 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [0,2,0,0,0,0|1,0,1]=4 575 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,2,0,0,0,0|0,0,0]=2 576 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.172 COC1=CN=CC(=C1)C#N ADE000443 [0,2,0,0,0,0|1,0,1]=4 581 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [0,2,0,0,0,0|1,0,0]=3 582 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [0,2,0,0,0,0|1,0,0]=3 583 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [0,2,0,0,0,0|1,0,0]=3 584 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [0,2,0,0,0,0|0,1,0]=3 585 B10R1.172 N#CC1=CC(=CC=C1)CS OTV000789 [0,2,0,0,0,0|1,0,0]=3 586 B10R1.172 N#CC1=NC(=CC=C1)CBr CDS023311 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.172 N#CC1=NC(=CC=C1)CO CDS022444 [0,2,0,0,0,0|1,0,1]=4 588 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [0,2,0,0,0,0|0,0,0]=2 589 B10R1.172 O=CC1=NC(=CC=C1)CO CDS023357 [0,2,0,0,0,0|1,0,1]=4 590 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [0,2,0,0,0,0|1,0,1]=4 591 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,2,0,0,0,0|1,0,0]=3 593 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,2,0,0,0,0|1,0,0]=3 596 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [0,2,0,0,0,0|1,0,1]=4 597 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [0,2,0,0,0,0|0,0,1]=3 598 B10R1.176 CC1=CC(=CN=C1F)C#N CDS014714 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [0,2,0,0,0,0|1,0,0]=3 600 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,2,0,0,0,0|1,0,0]=3 602 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,2,0,0,0,0|1,0,0]=3 605 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,2,0,0,0,0|0,0,0]=2 606 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,2,0,0,0,0|0,0,0]=2 609 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,2,0,0,0,0|1,0,0]=3 610 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,2,0,0,0,0|0,0,0]=2 611 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,2,0,0,0,0|0,1,0]=3 612 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,2,0,0,0,0|0,1,0]=3 613 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,2,0,0,0,0|0,0,0]=2 615 B10R1.176 CSC1=NC=C(C(=N1)O)Br S217026 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.176 CSC1=NC=C(C(=N1)O)Cl S217352 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,2,0,0,0,0|1,0,0]=3 618 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,2,0,0,0,0|1,0,0]=3 619 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,2,0,0,0,0|1,0,0]=3 620 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,2,0,0,0,0|1,0,0]=3 621 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [0,2,0,0,0,0|1,0,1]=4 622 B10R1.176 N#CC1=CC=C(C(=C1)F)Br CDS010530 [0,2,0,0,0,0|1,0,1]=4 623 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [0,2,0,0,0,0|0,0,1]=3 624 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,2,0,0,0,0|1,0,0]=3 625 B10R1.176 O=C1C=C(OC=C1O)CCl S217867 [0,2,0,0,0,0|1,0,1]=4 626 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [0,2,0,0,0,0|1,0,1]=4 627 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [0,2,0,0,0,0|1,0,1]=4 628 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,2,0,0,0,0|1,0,0]=3 629 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [0,2,0,0,0,0|1,0,0]=3 630 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [0,2,0,0,0,0|1,0,0]=3 631 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [0,2,0,0,0,0|1,0,0]=3 633 B10R1.22 BrC1=CC(=C(C(=C1)Br)Br)Br S943029 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.22 BrC1=CC(=C(C(=C1)Br)I)Br S547263 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [0,2,0,0,0,0|1,0,0]=3 637 B10R1.22 CC1=C(C(=NC(=N1)S)O)C PH000196 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.22 CC1=C(C=C(C=C1Br)Cl)Br S943002 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.22 CC1=C(C=C(C=C1Br)Cl)N CDS023787 [0,2,0,0,0,0|2,0,0]=4 640 B10R1.22 CC1=C(C=C(C=C1F)I)F CDS021213 [0,2,0,0,0,0|2,0,0]=4 641 B10R1.22 CC1=C(C=C(C=C1O)Br)Br S810576 [0,2,0,0,0,0|1,0,0]=3 642 B10R1.22 CC1=C(C=C(C=C1O)O)O S414913 [0,2,0,0,0,0|1,0,0]=3 643 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [0,2,0,0,0,0|1,0,0]=3 644 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [0,2,0,0,0,0|1,0,0]=3 645 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,2,0,0,0,0|1,0,0]=3 647 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,2,0,0,0,0|1,0,0]=3 648 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [0,2,0,0,0,0|1,0,0]=3 649 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [0,2,0,0,0,0|1,0,0]=3 650 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,2,0,0,0,0|1,0,0]=3 651 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,2,0,0,0,0|1,0,0]=3 652 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [0,2,0,0,0,0|1,0,0]=3 654 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,2,0,0,0,0|1,0,0]=3 655 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [0,2,0,0,0,0|1,0,0]=3 656 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [0,2,0,0,0,0|1,0,0]=3 657 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [0,2,0,0,0,0|1,0,0]=3 658 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [0,2,0,0,0,0|1,0,0]=3 659 B10R1.22 CC1=CC(=CN(C1=O)C)Br JRD0890 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.22 CC1=CC(=NC(=C1N)C)Br CDS023145 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.22 CC1=CC(=O)C=C(N1C)C S11003 [0,2,0,0,0,0|1,0,1]=4 662 B10R1.22 CC1=CC(=O)N(C(=C1)C)N CBR00430 [0,2,0,0,0,0|1,0,1]=4 663 B10R1.22 CC1=CC(=O)N(C(=C1)N)C T324760 [0,2,0,0,0,0|1,0,1]=4 664 B10R1.22 CC1=CC(=[N+](C(=C1)C)C)C R255408 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [0,2,0,0,0,0|1,0,0]=3 667 B10R1.22 CC1=NC(=C(C(=N1)O)Br)O S216925 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.22 CC1=NC(=NC(=C1Br)O)O PH009737 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.22 CC1=NC(=NC(=C1Cl)O)O S359440 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Br)Cl S943061 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.22 ClC1=CC(=C(C(=C1)Cl)Cl)Br S943037 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.22 ClC1=CC(=CC(=C1Cl)Cl)Br S943045 [0,2,0,0,0,0|2,0,0]=4 673 B10R1.22 ClC1=CC(=CC(=C1I)Cl)Br S943053 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.22 FC1=CC(=C(C(=C1)F)Br)Br R158321 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.22 NC1=C(C(=CC(=C1)F)Br)O CDS021903 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.22 NC1=C(C(=CC(=C1)F)F)N CDS010697 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.22 NC1=C(C=C(C=C1Cl)Br)Br S676926 [0,2,0,0,0,0|2,0,0]=4 678 B10R1.22 NC1=CC(=C(C(=C1)Br)O)Cl CDS023792 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.22 NC1=CC(=C(C(=C1)F)Br)F CDS000756 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.22 NC1=CC(=C(C(=C1)I)I)I PH001971 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.22 NC1=CC(=CC(=C1F)F)Br CDS024554 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.22 NC1=CC(=CC(=C1S)Cl)Cl PH008417 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.22 OC1=C(C=C(C=C1Cl)Br)Br S676977 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.22 OC1=C(C=C(C=C1Cl)Cl)I S405183 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.22 [O-]C1=C(C=C(C=C1Br)Br)Br S825875 [0,2,0,0,0,0|2,0,0]=4 686 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [0,2,0,0,0,0|1,0,0]=3 688 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [0,2,0,0,0,0|0,0,0]=2 689 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [0,2,0,0,0,0|1,0,0]=3 690 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [0,2,0,0,0,0|0,0,0]=2 691 B10R1.119 CC1=C(C=C[N+](=C1C)[O-])Cl T138479 [0,2,0,0,0,0|1,0,1]=4 692 B10R1.119 CC1=C([N+](=CC=C1N)C)C S995037 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,2,0,0,0,0|1,0,0]=3 694 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [0,2,0,0,0,0|1,0,0]=3 695 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [0,2,0,0,0,0|0,0,0]=2 696 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,2,0,0,0,0|1,0,0]=3 697 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S111104 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)I S17877 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.119 FC1=CC=C(C(=C1F)Br)F CDS001196 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.119 NC1=CC=C(C(=C1F)F)Br CDS022896 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.119 OC1=C(C(=CC=C1F)Cl)F CDS002898 [0,2,0,0,0,0|1,0,0]=3 702 B10R1.119 OC1=CC=C(C(=C1Cl)F)F PH017343 [0,2,0,0,0,0|1,0,0]=3 703 B10R1.245 C#CC1=C(C=CC=C1Cl)Cl CDS021281 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.245 C#CC1=C(C=CC=C1F)F CDS021025 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [0,2,0,0,0,0|1,0,0]=3 706 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,2,0,0,0,0|1,0,0]=3 707 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,2,0,0,0,0|1,0,0]=3 709 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,2,0,0,0,0|1,0,0]=3 710 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,2,0,0,0,0|2,0,0]=4 711 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [0,2,0,0,0,0|2,0,0]=4 713 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [0,2,0,0,0,0|2,0,0]=4 714 B10R1.245 FC1=CC=CC(=C1CS)F CDS006153 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.25 C#CC1=NC=C(C=C1C)F CDS024545 [0,2,0,0,0,0|2,0,0]=4 718 B10R1.25 C#CC1=NC=C(C=C1F)C CDS024546 [0,2,0,0,0,0|2,0,0]=4 719 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,2,0,0,0,0|2,0,0]=4 720 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,2,0,0,0,0|2,0,0]=4 721 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,2,0,0,0,0|1,0,0]=3 722 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,2,0,0,0,0|1,0,0]=3 723 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,2,0,0,0,0|1,0,0]=3 724 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,2,0,0,0,0|1,0,0]=3 725 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,2,0,0,0,0|0,0,0]=2 726 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,2,0,0,0,0|0,0,0]=2 727 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,2,0,0,0,0|1,0,0]=3 728 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,2,0,0,0,0|2,0,0]=4 731 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,2,0,0,0,0|1,0,0]=3 734 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,2,0,0,0,0|1,0,0]=3 735 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.25 COC1=CN=C(N=C1O)C S217115 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,2,0,0,0,0|1,0,0]=3 739 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,2,0,0,0,0|2,0,0]=4 746 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)Br MNO000001 [0,2,0,0,0,0|1,0,0]=3 749 B10R1.118 CC1=C(C=C(C(=C1)I)Br)I S881848 [0,2,0,0,0,0|1,0,0]=3 750 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [0,2,0,0,0,0|1,0,0]=3 751 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [0,2,0,0,0,0|1,0,0]=3 752 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [0,2,0,0,0,0|1,0,0]=3 753 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [0,2,0,0,0,0|0,0,0]=2 754 B10R1.118 CC1=C(C=C(C(=N1)N)I)I BCH00051 [0,2,0,0,0,0|2,0,0]=4 755 B10R1.118 CC1=C(C=C(C(=N1)N)N)Br S927333 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [0,2,0,0,0,0|1,0,0]=3 757 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [0,2,0,0,0,0|1,0,0]=3 758 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [0,2,0,0,0,0|1,0,0]=3 759 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [0,2,0,0,0,0|1,0,0]=3 760 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,2,0,0,0,0|1,0,0]=3 761 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [0,2,0,0,0,0|1,0,0]=3 762 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [0,2,0,0,0,0|0,0,0]=2 763 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [0,2,0,0,0,0|1,0,0]=3 764 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [0,2,0,0,0,0|1,0,0]=3 765 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [0,2,0,0,0,0|1,0,0]=3 766 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,2,0,0,0,0|0,0,0]=2 767 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [0,2,0,0,0,0|0,0,0]=2 768 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [0,2,0,0,0,0|0,0,1]=3 769 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [0,2,0,0,0,0|1,0,0]=3 770 B10R1.118 ClC1=CC(=C(C=C1Br)Cl)Cl S943118 [0,2,0,0,0,0|2,0,0]=4 771 B10R1.118 ClC1=CC(=C(C=C1I)Cl)I S109991 [0,2,0,0,0,0|2,0,0]=4 772 B10R1.118 ClC1=CC(=C(C=C1I)I)Cl S110892 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.118 NC1=CC(=C(C=C1N)F)F CDS020059 [0,2,0,0,0,0|2,0,0]=4 774 B10R1.118 NC1=CC(=C(C=C1O)F)Br CDS023410 [0,2,0,0,0,0|1,0,0]=3 775 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S149403 [0,2,0,0,0,0|1,0,1]=4 776 B10R1.118 O=C1C=C(C(=O)C=C1Br)Br S944955 [0,2,0,0,0,0|1,0,1]=4 777 B10R1.118 OC1=C(C=C(C(=C1)Cl)Cl)O R166340 [0,2,0,0,0,0|1,0,0]=3 778 B10R1.118 OC1=C(C=C(C(=C1)Cl)F)Cl PH017696 [0,2,0,0,0,0|1,0,0]=3 779 B10R1.118 OC1=C(C=C(C(=C1)F)F)Cl PH017863 [0,2,0,0,0,0|1,0,0]=3 780 B10R1.118 OC1=CC(=C(N=C1Br)Br)I ADE000475 [0,2,0,0,0,0|2,0,0]=4 781 B10R1.118 OC1=CC(=C(N=C1Cl)I)Cl ADE000183 [0,2,0,0,0,0|2,0,0]=4 782 B10R1.118 OC1=CC(=C(N=C1I)I)Br ADE000430 [0,2,0,0,0,0|2,0,0]=4 783 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,0,1,1,0,0|2,0,0]=4 784 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,0,1,1,0,0|2,0,0]=4 785 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,0,1,1,0,0|2,0,0]=4 786 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,1,1,0,0|0,0,2]=4 787 B8R1.8 ON=CC1=CC=CS1 S551848 [0,0,1,1,0,0|2,0,0]=4 788 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [0,0,1,0,1,0|2,0,0]=4 789 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,1,0|2,0,0]=4 790 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,1,0|2,0,0]=4 791 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,1,0|1,0,0]=3 792 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,1,0|2,0,0]=4 793 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,1,0|2,0,0]=4 794 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,1,0|2,0,0]=4 795 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,1,0|2,0,0]=4 796 B10R1.71 CC1=CC=CC=C(CC1)C T190071 [0,0,0,0,0,2|1,0,1]=4