0 B8R1.4 BrC1=CC(=NC=N1)Br BCH00053 [0,0,0,0,0,0|3,0,0]=3 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|2,0,0]=2 3 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,0,0,0,0,0|2,0,2]=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|2,0,0]=2 8 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.4 CC1=NC=NC(=C1)S R901148 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.4 ClC1=CN=NC(=C1)Cl MNO000179 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.4 FC1=CC(=NC=N1)F CDS002862 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.4 IC1=CC(=NC=N1)I SYX00025 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.4 NC1=NC=NC(=N1)N S367753 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,0,0,0,0,0|2,0,1]=3 27 B8R1.4 O=C1C=C(C=NN1)Cl CDS021192 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.4 O=C1C=C(C=NN1)I SYX00367 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,0,0,0,0,0|4,0,0]=4 32 B7R1.3 BrC1=CC=CN=N1 CDS023312 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.3 BrC1=CN=CC=N1 CDS005022 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 BrC1=CN=NC=C1 CDS022809 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 CC1=CC=NC=C1 T256412 [1,0,0,0,0,0|0,0,0]=1 36 B7R1.3 CC1=CC=NC=C1 T330418 [1,0,0,0,0,0|0,0,0]=1 37 B7R1.3 NC1=CC=CC=C1 S698326 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.3 NC1=CC=CC=N1 S822329 [1,0,0,0,0,0|1,0,0]=2 39 B7R1.3 NC1=CC=NN=C1 CDS006078 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 O=C1C=CC=CN1 T160121 [1,0,0,0,0,0|1,0,1]=3 41 B7R1.3 O=C1C=CNC=C1 T161470 [1,0,0,0,0,0|1,0,1]=3 42 B7R1.3 O=C1C=CSC=C1 T162035 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.3 OC1=CC=NC=C1 CDS013613 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.3 S=C1C=CSC=C1 S874310 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 SC1=NC=CC=N1 S565652 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 [O-]C1=CN=CC=N1 S451452 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 [S-]C1=CC=CC=C1 S578991 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.2 C#CC1=CC(=NC=C1)Cl RNI00128 [0,1,0,0,0,0|1,0,1]=3 52 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.2 C#CC1=NC(=NC=C1)Cl CDS023942 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,0,0,0|0,0,0]=1 56 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,0,0,0|1,0,0]=2 57 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,0|2,0,0]=3 58 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,1,0,0,0,0|0,0,0]=1 59 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [0,1,0,0,0,0|1,0,0]=2 60 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [0,1,0,0,0,0|1,0,0]=2 63 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [0,1,0,0,0,0|1,0,0]=2 64 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [0,1,0,0,0,0|1,0,0]=2 65 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.2 COC1=CC(=NC=N1)I SYX00370 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.2 CSC1=NC(=CC=N1)I SYX00298 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.2 CSC1=NC(=NC=N1)N CBR00308 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.2 CSC1=NC=CC(=N1)O S217336 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.2 CSC1=NC=CC(=N1)O S440043 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.2 CSC1=NC=NC(=C1)Cl SYX00015 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.2 N#CC1=CC=NC(=C1)Br CDS003642 [0,1,0,0,0,0|1,0,1]=3 87 B9R1.2 N#CC1=CC=NC(=C1)N CDS000695 [0,1,0,0,0,0|1,0,1]=3 88 B9R1.2 N#CC1=NC=CC(=C1)Br CDS022066 [0,1,0,0,0,0|1,0,1]=3 89 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.2 NCC1=CC(=NC=N1)O CBR02401 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [0,1,0,0,0,0|1,0,1]=3 95 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.3 BrC1=CC=CC(=C1I)Br S110086 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.3 CC1=C(C(=NC=N1)O)C CBR02089 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.3 CC1=C(C(=NC=N1)O)F S217212 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.3 CC1=C(C=CC=C1Br)F CDS003017 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.3 CC1=C(C=CC=C1O)Cl CDS003050 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.3 CC1=CCCC(C1=O)C T297577 [0,1,0,0,0,0|1,0,2]=4 113 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.3 CC1=NC=NC(=C1O)O S217778 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.3 CN1C=CC=[N+](C1=O)C S139823 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.3 FC1=CC=NC(=C1I)F MNO000157 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.3 NC1=C(C=CC=C1Cl)I KOB0053 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.3 NC1=C(C=CC=C1I)O CDS007998 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.3 NC1=C(C=CC=C1O)O CDS003448 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.3 NC1=C(C=CC=C1O)O PH009922 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.3 NC1=CC=CC(=C1Br)Cl CDS023345 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.3 NC1=CC=CC(=C1Br)F CDS004255 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.3 NC1=CC=CC(=C1F)Br CDS023142 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.3 NC1=CC=CC(=C1N)Br CDS020072 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.3 NC1=CC=CC(=C1N)F CDS011409 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.3 NC1=CC=CC(=C1N)N S915041 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.3 NC1=CC=CC(=C1O)Br CDS020010 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.3 NC1=CC=CC(=C1O)Cl TMT00393 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.3 NC1=NC=CC(=C1I)Cl ADE000408 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.3 NC1=NC=NC(=C1Cl)Cl CDS009579 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.3 OC1=C(C(=CC=C1)Cl)F CDS003101 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.3 OC1=C(C=CN=C1I)Cl ADE000653 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.3 SC1=CC=CC(=C1Cl)Cl R239429 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,1,0,0,0,0|1,0,0]=2 140 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,1,0,0,0,0|1,0,0]=2 141 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,1,0,0,0,0|1,0,1]=3 142 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,1,0,0,0,0|1,0,1]=3 143 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,1,0,0,0,0|0,0,0]=1 144 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.34 CC1=CC(=NC(=N1)S)C R432288 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.34 CC1=CC(=NC(=N1)S)C S439029 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [0,1,0,0,0,0|1,0,0]=2 153 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [0,1,0,0,0,0|1,0,0]=2 154 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.34 CC1=NC(=O)CC(=O)N1 S216828 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.34 FC1=CC(=CC(=C1)S)F CDS003868 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.34 N1C(=S)C=C(NC1=S)C S70662 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.34 N1C(=S)N=C(C=C1C)C S25004 [0,1,0,0,0,0|1,0,0]=2 160 B9R1.34 NC1=CC(=CC(=C1)Cl)N S751774 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.34 NC1=CC(=CC(=C1)F)Cl CDS002929 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.34 NC1=CC(=NC(=N1)N)O R276863 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.34 NC1=CC(=NC(=N1)O)S S790060 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.34 NC1=NC(=CC(=C1)Cl)Cl CDS005457 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.69 CC1=C(N=C(N=C1)S)S S783498 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.69 CC1=C(N=CC(=C1)Br)F CDS003028 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.69 CC1=CC(=CC=C1N)N S442275 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.69 CC1=CC(=CN=C1Br)N CDS014715 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.69 CC1=CC(=CN=C1F)N CDS017686 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.69 CC1=CC(=CN=C1N)I ADE000317 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [0,1,0,0,0,0|1,0,0]=2 189 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [0,1,0,0,0,0|1,0,0]=2 190 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [0,1,0,0,0,0|1,0,0]=2 191 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,1,0,0,0,0|3,0,0]=4 197 B9R1.69 CC1=CC=[N+](C(=C1)C)[O-] S849057 [0,1,0,0,0,0|0,0,1]=2 198 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [0,1,0,0,0,0|1,0,0]=2 207 B9R1.69 CC1=C[N+](=CC=[N+]1[O-])[O-] PH009723 [0,1,0,0,0,0|2,0,1]=4 208 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,1,0,0,0,0|2,0,0]=3 211 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,1,0,0,0,0|2,0,0]=3 212 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.69 FC1=CC(=CC=C1Cl)Br CDS014130 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.69 FC1=CC=C(C(=C1)Cl)Br CDS004020 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.69 FC1=CC=C(C(=C1)Cl)I CDS003030 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.69 FC1=CC=C(C(=C1)I)Cl CDS010723 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [0,1,0,0,0,0|2,0,1]=4 221 B9R1.69 NC1=C(C=C(C=C1)S)F KOB0167 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [0,1,0,0,0,0|2,0,0]=3 223 B9R1.69 NC1=CC=C(C(=C1)Br)Cl CDS020727 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,1,0,0,0,0|3,0,0]=4 226 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,1,0,0,0,0|3,0,0]=4 227 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.69 NC1=CC=C(C=C1Cl)Cl S851930 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.69 NC1=NC(=NC=C1Br)Cl CDS004249 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.69 NC1=NN=C(C=C1Br)Cl CDS020016 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,1,0,0,0,0|2,0,1]=4 233 B9R1.69 OC1=C(C=NC(=N1)S)Cl S173541 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [0,1,0,0,0,0|3,0,0]=4 237 B9R1.69 OC1=NN=C(C(=C1)Cl)O S344079 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.69 [O-]C1=CC=C(C(=C1)Cl)Cl S697400 [0,1,0,0,0,0|3,0,0]=4 239 B7R0.2 C=CC(C)OC(=O)C S413755 [0,0,1,0,0,0|2,0,1]=4 240 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,0,1,0,0,0|2,0,1]=4 241 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,0,1,0,0,0|2,0,1]=4 242 B7R0.7 C=CCC(O)/C=C\C S505013 [0,0,1,0,0,0|2,0,1]=4 243 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [0,0,0,0,1,0|3,0,0]=4 244 B7R1.2 BrC1=COC(=C1)Br T266507 [0,0,0,0,1,0|3,0,0]=4 245 B7R1.2 CC1=CSC(=N1)Br CDS007616 [0,0,0,0,1,0|3,0,0]=4 246 B7R1.2 CC1=CSC(=N1)N S366536 [0,0,0,0,1,0|3,0,0]=4 247 B7R1.2 CC1=NC(=NO1)N CBR00048 [0,0,0,0,1,0|3,0,0]=4 248 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,0,0,0,1,0|2,0,0]=3 249 B7R1.2 CC1=NN=C(N1)N CDS003576 [0,0,0,0,1,0|3,0,0]=4 250 B7R1.2 CC1=NN=C(O1)N PH010741 [0,0,0,0,1,0|3,0,0]=4 251 B7R1.2 CC1=NN=C(S1)Cl CBR01742 [0,0,0,0,1,0|3,0,0]=4 252 B7R1.2 CC1=NN=C(S1)O CBR01599 [0,0,0,0,1,0|3,0,0]=4 253 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,0,0,0,1,0|2,0,0]=3 254 B7R1.2 CC1=NNC(=N1)N CDS020216 [0,0,0,0,1,0|3,0,0]=4 255 B7R1.2 CC1=NOC(=N1)C PH016136 [0,0,0,0,1,0|2,0,0]=3 256 B7R1.2 CC1=NSC(=N1)Cl BBO000670 [0,0,0,0,1,0|3,0,0]=4 257 B7R1.2 CN1C=C(C=N1)N CDS019978 [0,0,0,0,1,0|2,0,0]=3 258 B7R1.2 CN1C=CC(=N1)Br SYX00074 [0,0,0,0,1,0|3,0,0]=4 259 B7R1.2 CN1C=CC(=N1)N CDS013782 [0,0,0,0,1,0|3,0,0]=4 260 B7R1.2 CN1C=NC(=N1)Br CBR01814 [0,0,0,0,1,0|3,0,0]=4 261 B7R1.2 CN1C=NC(=N1)Cl CBR02195 [0,0,0,0,1,0|3,0,0]=4 262 B7R1.2 CN1C=NC(=N1)N CBR00751 [0,0,0,0,1,0|3,0,0]=4 263 B7R1.2 ClC1=NC=C(S1)Br SYX00075 [0,0,0,0,1,0|3,0,0]=4 264 B7R1.2 NC1=CC(=NO1)N CBR01619 [0,0,0,0,1,0|3,0,0]=4 265 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,0,0,0,1,0|3,0,0]=4 266 B7R1.2 NC1=NC=C(S1)Cl CDS021716 [0,0,0,0,1,0|3,0,0]=4 267 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,0,0,0,1,0|3,0,0]=4 268 B7R1.4 BrC1=C(NC=N1)Br S802263 [0,0,0,0,1,0|3,0,0]=4 269 B7R1.4 BrC1=NNC=C1I PHB00279 [0,0,0,0,1,0|3,0,0]=4 270 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,0,0,0,1,0|2,0,1]=4 271 B7R1.4 CC1=C(C=NO1)I CDS015521 [0,0,0,0,1,0|3,0,0]=4 272 B7R1.4 CC1=C(N=CN1)Br CDS022318 [0,0,0,0,1,0|2,0,0]=3 273 B7R1.4 CC1=NNC=C1I BML00217 [0,0,0,0,1,0|2,0,0]=3 274 B7R1.4 CN1C=CN=C1Cl CDS018561 [0,0,0,0,1,0|2,0,0]=3 275 B7R1.4 CN1C=CN=C1I ANV00120 [0,0,0,0,1,0|2,0,0]=3 276 B7R1.4 CN1C=CN=C1I CDS005078 [0,0,0,0,1,0|2,0,0]=3 277 B7R1.4 CN1C=CN=C1N CBR02443 [0,0,0,0,1,0|2,0,0]=3 278 B7R1.4 CN1C=CSC1=N S945749 [0,0,0,0,1,0|3,0,0]=4 279 B7R1.4 CN1N=CC=C1Br CBR02073 [0,0,0,0,1,0|2,0,0]=3 280 B7R1.4 CN1N=CN=C1Br CBR01745 [0,0,0,0,1,0|3,0,0]=4 281 B7R1.4 CN1N=CN=C1Cl CBR02194 [0,0,0,0,1,0|3,0,0]=4 282 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,0,0,0,0,1|1,0,1]=3 283 B6R0.2 CC(=N)CC(=O)C S366234 [1,0,1,0,0,0|1,0,1]=4 284 B6R0.4 C=COCC(=C)C T284386 [1,0,1,0,0,0|2,0,0]=4 285 B6R1.1 C1=CC=CC=C1 S458074 [2,0,0,0,0,0|1,0,0]=3 286 B6R1.1 C1=CC=NC=C1 S503533 [2,0,0,0,0,0|0,0,0]=2 287 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [0,1,1,0,0,0|1,0,1]=4 288 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,1,1,0,0,0|1,0,1]=4 289 B8R0.1 C(=C/C(=O)OCC=C)\C S357375 [0,1,1,0,0,0|2,0,0]=4 290 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,1,0,0,0,0|0,0,1]=3 292 B8R1.2 C1(C=CCC=C1)CO T175528 [1,1,0,0,0,0|1,0,1]=4 293 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,1,0,0,0,0|1,0,1]=4 294 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,1,0,0,0,0|1,0,1]=4 295 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,1,0,0,0,0|1,0,1]=4 296 B8R1.2 COC1=NC=CC=N1 CDS005079 [1,1,0,0,0,0|1,0,0]=3 297 B8R1.2 CSC1=NC=CC=N1 SYX00290 [1,1,0,0,0,0|1,0,0]=3 298 B8R1.2 CSC1=NC=CN=N1 SYX00362 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.2 NCC1=CC=CC=C1 S696684 [1,1,0,0,0,0|1,0,0]=3 301 B8R1.2 NCC1=CN=CC=C1 S763780 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.2 NCC1=CN=CC=N1 CDS009594 [1,1,0,0,0,0|1,0,0]=3 303 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [1,1,0,0,0,0|1,0,1]=4 304 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,1,0,0,0,0|2,0,0]=4 305 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,1,0,0,0,0|1,0,0]=3 306 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,1,0,0,0,0|1,0,1]=4 310 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,1,0,0,0,0|1,0,0]=3 311 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,1,0,0,0,0|1,0,0]=3 313 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.3 ClC1=CC=C(N=N1)I KOB0085 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,1,0,0,0,0|1,0,0]=3 316 B8R1.3 ClC1=CN=C(N=C1)I SYX00017 [1,1,0,0,0,0|2,0,0]=4 317 B8R1.3 ClC1=NC=C(C=N1)I SYX00335 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.3 FC1=NC=C(C=N1)Br CDS004432 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.3 FC1=NC=C(C=N1)Br SYX00292 [1,1,0,0,0,0|2,0,0]=4 320 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,1,0,0,0,0|1,0,1]=4 321 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.3 NC1=CC=C(C=C1)N S706698 [1,1,0,0,0,0|2,0,0]=4 323 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,1,0,0,0,0|1,0,0]=3 324 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,1,0,0,0,0|1,0,1]=4 327 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [1,1,0,0,0,0|2,0,0]=4 328 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [1,1,0,0,0,0|2,0,0]=4 330 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,1,0,0,0,0|0,0,0]=2 331 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [1,1,0,0,0,0|1,0,0]=3 332 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [1,1,0,0,0,0|1,0,0]=3 334 B8R1.5 CC1=NC=CN=C1S PH014228 [1,1,0,0,0,0|1,0,0]=3 335 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,1,0,0,0,0|1,0,1]=4 336 B8R1.5 C[N+]1=CC=CN=C1N S142433 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,1,0,0,0,0|1,0,0]=3 338 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,1,0,0,0,0|1,0,0]=3 339 B8R1.5 FC1=CN=CN=C1S S217271 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,1,0,0,0,0|1,0,0]=3 341 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,1,0,0,0,0|1,0,0]=3 344 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.5 NC1=CC=CC=C1O S378569 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [1,1,0,0,0,0|1,0,1]=4 347 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,1,0,0,0,0|1,0,0]=3 348 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,1,0,0,0,0|1,0,0]=3 349 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,1,0,0,0,0|1,0,1]=4 350 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,1,0,0,0,0|1,0,1]=4 351 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,1,0,0,0,0|1,0,0]=3 352 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,1,0,0,0,0|1,0,0]=3 353 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,0,1,0|1,0,0]=3 356 B8R1.1 CC1=CC(=NO1)CO L482684 [0,1,0,0,1,0|1,0,0]=3 357 B8R1.1 CC1=CN=C(O1)CN CDS008557 [0,1,0,0,1,0|1,0,0]=3 358 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [0,1,0,0,1,0|1,0,1]=4 359 B8R1.1 CC1=CN=C(S1)CN CDS011809 [0,1,0,0,1,0|1,0,0]=3 360 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,1,0,0,1,0|2,0,0]=4 361 B8R1.1 CC1=NC(=CS1)CN CBR00687 [0,1,0,0,1,0|2,0,0]=4 362 B8R1.1 CC1=NC(=NO1)CBr CBR02188 [0,1,0,0,1,0|2,0,0]=4 363 B8R1.1 CC1=NC(=NO1)CN CBR01043 [0,1,0,0,1,0|2,0,0]=4 364 B8R1.1 CC1=NN=C(O1)CCl CDS022277 [0,1,0,0,1,0|2,0,0]=4 365 B8R1.1 CC1=NN=C(O1)CO CBR01937 [0,1,0,0,1,0|2,0,0]=4 366 B8R1.1 CC1=NNC(=C1)CN CBR01017 [0,1,0,0,1,0|1,0,0]=3 367 B8R1.1 CC1=NNC(=N1)CCl CBR02414 [0,1,0,0,1,0|2,0,0]=4 368 B8R1.1 CC1=NNC(=N1)CN PH017721 [0,1,0,0,1,0|2,0,0]=4 369 B8R1.1 CC1=NNC(=N1)CO CBR02415 [0,1,0,0,1,0|2,0,0]=4 370 B8R1.1 CC1=NOC(=C1)C#N CBR00067 [0,1,0,0,1,0|1,0,1]=4 371 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,1,0,0,1,0|1,0,1]=4 372 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,1,0,0,1,0|1,0,0]=3 373 B8R1.1 CC1=NOC(=N1)CCl CDS019758 [0,1,0,0,1,0|2,0,0]=4 374 B8R1.1 CC1=NOC(=N1)CN CDS010118 [0,1,0,0,1,0|2,0,0]=4 375 B8R1.1 CCC1=NNC(=C1)N CDS019625 [0,1,0,0,1,0|2,0,0]=4 376 B8R1.1 CCN1C=C(C=N1)Br CDS003673 [0,1,0,0,1,0|2,0,0]=4 377 B8R1.1 CN1C=C(C=N1)CCl CBR01696 [0,1,0,0,1,0|1,0,0]=3 378 B8R1.1 CN1C=CC(=C1)C#N CBR01777 [0,1,0,0,1,0|1,0,1]=4 379 B8R1.1 CN1C=NC(=C1)CN CDS017640 [0,1,0,0,1,0|1,0,0]=3 380 B8R1.1 CN1C=NC(=C1)CO CDS017610 [0,1,0,0,1,0|1,0,0]=3 381 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [0,1,0,0,1,0|2,0,0]=4 382 B8R1.1 COC1=CN=C(S1)N CDS021689 [0,1,0,0,1,0|2,0,0]=4 383 B8R1.1 COC1=NC=C(S1)Br SYX00323 [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 B8R1.1 OCC1=CN=C(S1)Br SYX00336 [0,1,0,0,1,0|2,0,0]=4 389 B8R1.1 OCC1=CN=C(S1)Cl CDS013997 [0,1,0,0,1,0|2,0,0]=4 390 B8R1.18 CC1=C(SC(=N1)N)C S139696 [0,1,0,0,1,0|2,0,0]=4 391 B8R1.18 CC1=C(SC(=N1)S)C PH009931 [0,1,0,0,1,0|2,0,0]=4 392 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,1,0,0,1,0|1,0,0]=3 393 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,1,0,0,1,0|1,0,1]=4 394 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,0,1,0|1,0,1]=4 395 B8R1.18 CC1=NC(=C(S1)Br)C CDS020883 [0,1,0,0,1,0|2,0,0]=4 396 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [0,1,0,0,1,0|2,0,0]=4 397 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [0,1,0,0,1,0|2,0,0]=4 398 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [0,1,0,0,1,0|2,0,0]=4 399 B8R1.18 CC1=NN(C(=N1)Br)C CBR02189 [0,1,0,0,1,0|2,0,0]=4 400 B8R1.18 CC1=NN(C(=N1)Cl)C CBR02184 [0,1,0,0,1,0|2,0,0]=4 401 B8R1.18 CC1=NN(C=C1N)C CDS015732 [0,1,0,0,1,0|2,0,0]=4 402 B8R1.18 CN1C=C(C(=N1)N)N CBR01718 [0,1,0,0,1,0|2,0,0]=4 403 B8R1.18 N1C(=NC(=C1I)I)C ANV00245 [0,1,0,0,1,0|2,0,0]=4 404 B8R1.50 CC1=C(C(=NN1)Br)Br S939463 [0,1,0,0,1,0|2,0,0]=4 405 B8R1.50 CC1=C(C(=NO1)N)C SYX00035 [0,1,0,0,1,0|2,0,0]=4 406 B8R1.50 CC1=CC=[N+](N1C)C R461717 [0,1,0,0,1,0|2,0,0]=4 407 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,1,0,0,1,0|1,0,0]=3 408 B8R1.50 CC1=NNC(=C1N)C L203173 [0,1,0,0,1,0|1,0,0]=3 409 B8R1.50 CC1=NNC(=C1O)C S720429 [0,1,0,0,1,0|1,0,0]=3 410 B8R1.51 CC1(C=CC(=C1)Br)C T258652 [0,1,0,0,1,0|1,0,1]=4 411 B8R1.11 C=CN1C=CN=C1C S463205 [0,1,0,0,1,0|1,0,1]=4 412 B8R1.11 CC1=C(C=CO1)CN CDS019848 [0,1,0,0,1,0|1,0,0]=3 413 B8R1.11 CC1=C(NC=N1)CN CBR01683 [0,1,0,0,1,0|1,0,0]=3 414 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,1,0,0,1,0|1,0,1]=4 415 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,1,0,0,1,0|1,0,0]=3 416 B8R1.11 CC1=NON=C1CN CDS002297 [0,1,0,0,1,0|2,0,0]=4 417 B8R1.11 CCN1C=CN=C1Br CBR01693 [0,1,0,0,1,0|2,0,0]=4 418 B8R1.11 CN1C=CN=C1CN CDS002678 [0,1,0,0,1,0|1,0,0]=3 419 B8R1.11 CN1C=CN=C1CO CDS014909 [0,1,0,0,1,0|1,0,0]=3 420 B8R1.11 CN1C=NN=C1CCl CBR02431 [0,1,0,0,1,0|2,0,0]=4 421 B8R1.11 CN1C=NN=C1CO CBR02167 [0,1,0,0,1,0|2,0,0]=4 422 B8R1.11 CN1N=CC=C1CBr CDS023901 [0,1,0,0,1,0|1,0,0]=3 423 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [0,2,0,0,0,0|1,0,1]=4 424 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [0,2,0,0,0,0|1,0,0]=3 425 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.2 CC1=C(C=CN=C1CO)Cl T137049 [0,2,0,0,0,0|1,0,0]=3 427 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,2,0,0,0,0|1,0,0]=3 429 B10R1.2 COC1=C(C(=NC=C1)N)I ADE000406 [0,2,0,0,0,0|1,0,0]=3 430 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [0,2,0,0,0,0|1,0,0]=3 431 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [0,2,0,0,0,0|1,0,0]=3 434 B10R1.2 CSC1=NC=CC(=O)N1C S859702 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.2 OC1=NC=NC(=C1F)CCl S217328 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.2 OC1=NC=NC(=C1F)CF S217018 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.2 OCC1=CC=NC(=C1F)Cl MNO000071 [0,2,0,0,0,0|1,0,0]=3 443 B10R1.8 C#CC1=CC(=CC(=C1)C)C CDS021024 [0,2,0,0,0,0|1,0,0]=3 444 B10R1.8 C(=O)C1=CC(=NC(=C1)C)Cl JRD0371 [0,2,0,0,0,0|0,0,1]=3 445 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [0,2,0,0,0,0|1,0,1]=4 446 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [0,2,0,0,0,0|1,0,0]=3 447 B10R1.8 CC1=CC(=CC(=N1)C)C#N CBR01586 [0,2,0,0,0,0|0,0,1]=3 448 B10R1.8 CC1=CC(=CC(=N1)Cl)CO JRD0950 [0,2,0,0,0,0|0,0,0]=2 449 B10R1.8 CC1=CC(=CC(=[O+]1)C)CCl S256331 [0,2,0,0,0,0|1,0,0]=3 450 B10R1.8 CC1=CC(=NC(=N1)CCl)C CDS019266 [0,2,0,0,0,0|1,0,0]=3 451 B10R1.8 CC1=CC(=NC(=N1)CN)O PH019082 [0,2,0,0,0,0|1,0,0]=3 452 B10R1.8 CCC1=NC(=NC(=C1)Cl)C CBR00125 [0,2,0,0,0,0|1,0,0]=3 453 B10R1.8 CNC1=NC(=NC(=C1)C)Cl CBR00058 [0,2,0,0,0,0|1,0,0]=3 454 B10R1.8 COC1=CC(=[O+]C(=C1)C)C R251313 [0,2,0,0,0,0|1,0,0]=3 455 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S242004 [0,2,0,0,0,0|1,0,0]=3 456 B10R1.8 COC1=CC(=[O+]C(=C1)C)C S272183 [0,2,0,0,0,0|1,0,0]=3 457 B10R1.8 COC1=NC(=NC(=C1)I)N SYX00382 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.8 CSC1=CC(=[O+]C(=C1)C)C S874264 [0,2,0,0,0,0|1,0,0]=3 459 B10R1.8 CSC1=CC(=[S+]C(=C1)C)C S874256 [0,2,0,0,0,0|1,0,0]=3 460 B10R1.8 CSC1=NC(=CC(=N1)C)C PH000262 [0,2,0,0,0,0|1,0,0]=3 461 B10R1.8 CSC1=NC(=CC(=N1)C)Cl S344354 [0,2,0,0,0,0|1,0,0]=3 462 B10R1.8 CSC1=NC(=CC(=N1)S)C S363626 [0,2,0,0,0,0|1,0,0]=3 463 B10R1.8 CSC1=NC(=CC(=O)N1)C R683868 [0,2,0,0,0,0|1,0,1]=4 464 B10R1.8 CSC1=NC(=CC(=O)N1)N OTV000301 [0,2,0,0,0,0|2,0,0]=4 465 B10R1.8 CSC1=NC(=NC(=C1)C)O S784125 [0,2,0,0,0,0|1,0,0]=3 466 B10R1.8 ClCC1=CC(=CC(=C1)Cl)Cl PH011765 [0,2,0,0,0,0|2,0,0]=4 467 B10R1.8 FC1=CC(=CC(=C1)CS)F CDS003557 [0,2,0,0,0,0|2,0,0]=4 468 B10R1.8 N#CC1=CC(=NC(=C1)Cl)Cl PH014246 [0,2,0,0,0,0|1,0,1]=4 469 B10R1.8 OCC1=CC(=CC(=C1)F)Cl L300985 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.8 OCC1=CC(=NC(=C1)Cl)Cl MNO000193 [0,2,0,0,0,0|1,0,0]=3 471 B10R1.8 [C-]#[N+]C1=CC(=CC(=C1)C)C PH015602 [0,2,0,0,0,0|1,0,0]=3 472 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,2,0,0,0,0|1,0,1]=4 474 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,2,0,0,0,0|1,0,0]=3 475 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,2,0,0,0,0|2,0,0]=4 476 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,2,0,0,0,0|2,0,0]=4 478 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [0,2,0,0,0,0|0,0,0]=2 479 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.10 CCNC1=NC(=NC=C1)Cl CBR00491 [0,2,0,0,0,0|2,0,0]=4 482 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [0,2,0,0,0,0|1,0,0]=3 483 B10R1.10 CCOC1=NC=CC(=O)N1 PH009485 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.10 CCSC1=NC=CC(=N1)O R903701 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.10 CSCC1=NC=CC(=N1)Cl S294187 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,2,0,0,0,0|1,0,1]=4 497 B10R1.30 C(=O)C1=CC(=NC=C1Br)Br SYX00333 [0,2,0,0,0,0|1,0,1]=4 498 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,2,0,0,0,0|2,0,0]=4 499 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,2,0,0,0,0|1,0,0]=3 500 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,2,0,0,0,0|1,0,0]=3 501 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.30 CC1=CN=C(C(=C1)CO)Cl ADE000776 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.30 CNC1=C(C=NC(=N1)Cl)F CBR00088 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.30 CNC1=CC(=NN=C1Cl)Cl T163481 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.30 COC1=C(C=NC(=N1)Cl)F CBR01803 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.30 COC1=C(C=NC(=O)N1)F CBR01600 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [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|1,0,0]=3 528 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [0,2,0,0,0,0|2,0,0]=4 529 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|2,0,0]=4 531 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,2,0,0,0,0|1,0,0]=3 536 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,2,0,0,0,0|1,0,0]=3 537 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,2,0,0,0,0|1,0,1]=4 538 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,2,0,0,0,0|1,0,0]=3 539 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [0,2,0,0,0,0|1,0,1]=4 540 B10R1.113 CN(C)C1=CC(=NC=N1)Cl CBR00409 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.113 FC1=CC(=CC=N1)C(F)F MNO000175 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,2,0,0,0,0|2,0,0]=4 546 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,2,0,0,0,0|1,0,1]=4 547 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,2,0,0,0,0|1,0,1]=4 548 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,2,0,0,0,0|1,0,1]=4 549 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,2,0,0,0,0|1,0,1]=4 550 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,2,0,0,0,0|1,0,1]=4 552 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,2,0,0,0,0|1,0,1]=4 553 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,2,0,0,0,0|1,0,1]=4 554 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,2,0,0,0,0|1,0,1]=4 555 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,2,0,0,0,0|1,0,1]=4 556 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,2,0,0,0,0|1,0,1]=4 557 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,2,0,0,0,0|1,0,1]=4 558 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,2,0,0,0,0|1,0,1]=4 559 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,2,0,0,0,0|1,0,1]=4 560 B10R1.113 OB(O)C1=CC(=NC=C1)Br BCH00001 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.113 OB(O)C1=CC=NC(=C1)F CDS003936 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.172 CCC1=NC(=CC=N1)C=O CBR02044 [0,2,0,0,0,0|1,0,1]=4 564 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [0,2,0,0,0,0|0,0,0]=2 565 B10R1.172 COC1=CC(=NC=C1)CO ADE000337 [0,2,0,0,0,0|0,0,0]=2 566 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.172 COC1=NC(=CC=N1)C=O CDS022680 [0,2,0,0,0,0|1,0,1]=4 571 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [0,2,0,0,0,0|0,0,0]=2 572 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [0,2,0,0,0,0|1,0,0]=3 573 B10R1.172 N#CC1=CC(=CC=C1)CS OTV000789 [0,2,0,0,0,0|1,0,1]=4 574 B10R1.172 N#CC1=NC=CC(=C1)C=O CDS015515 [0,2,0,0,0,0|0,0,2]=4 575 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [0,2,0,0,0,0|1,0,0]=3 576 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [0,2,0,0,0,0|1,0,1]=4 578 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [0,2,0,0,0,0|1,0,1]=4 582 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.176 CC[N+]1=CC=C(C(=C1)C)C S621005 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [0,2,0,0,0,0|0,0,0]=2 586 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [0,2,0,0,0,0|0,0,0]=2 589 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,2,0,0,0,0|1,0,0]=3 591 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.176 CSC1=NC(=C(C=N1)Br)Cl S445827 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.176 CSC1=NC=C(C(=N1)O)Br S217026 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.176 CSC1=NC=C(C(=N1)O)Cl S217352 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.176 O=C1C=C(OC=C1O)CCl S217867 [0,2,0,0,0,0|2,0,0]=4 606 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [0,2,0,0,0,0|1,0,1]=4 610 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)I R416231 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.22 CC1=C(C(=CC(=C1)Cl)Cl)O S443786 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.22 CC1=C(C(=NC(=N1)N)Cl)Cl CBR02211 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.22 CC1=C(C(=NC(=N1)N)Cl)I ANV00173 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.22 CC1=C(C(=NC(=N1)S)O)C PH000196 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Br S888508 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C S294144 [0,2,0,0,0,0|1,0,0]=3 617 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,2,0,0,0,0|1,0,0]=3 618 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PH010961 [0,2,0,0,0,0|1,0,0]=3 619 B10R1.22 CC1=CC(=C(C(=C1)C)I)C R258377 [0,2,0,0,0,0|1,0,0]=3 620 B10R1.22 CC1=CC(=C(C(=C1)Cl)O)Cl PH009955 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.22 CC1=CC(=C(C(=C1)I)O)I S633119 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,2,0,0,0,0|1,0,0]=3 623 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,2,0,0,0,0|1,0,0]=3 624 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [0,2,0,0,0,0|0,0,0]=2 625 B10R1.22 CC1=CC(=C(C(=O)O1)Br)O PH002975 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.22 CC1=CC(=CC(=C1F)C)Br CDS003019 [0,2,0,0,0,0|1,0,0]=3 628 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PH000327 [0,2,0,0,0,0|1,0,0]=3 629 B10R1.22 CC1=CC(=CC(=C1O)C)I S842702 [0,2,0,0,0,0|1,0,0]=3 630 B10R1.22 CC1=CC(=CC(=C1O)N)N S943975 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.22 CC1=CC(=CN(C1=O)C)Br JRD0890 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.22 CC1=CC(=NC(=C1N)C)Br CDS023145 [0,2,0,0,0,0|0,0,0]=2 633 B10R1.22 CC1=CC(=O)C=C(N1C)C S11003 [0,2,0,0,0,0|1,0,1]=4 634 B10R1.22 CC1=CC(=O)N(C(=C1)C)N CBR00430 [0,2,0,0,0,0|0,0,1]=3 635 B10R1.22 CC1=CC(=O)N(C(=C1)N)C T324760 [0,2,0,0,0,0|1,0,1]=4 636 B10R1.22 CC1=CC(=O)N(C(=N1)C)C PH007968 [0,2,0,0,0,0|1,0,1]=4 637 B10R1.22 CC1=CC(=[N+](C(=C1)C)C)C R255408 [0,2,0,0,0,0|0,0,1]=3 638 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [0,2,0,0,0,0|1,0,0]=3 640 B10R1.22 CC1=NC(=C(C(=N1)C)C)Cl CBR01736 [0,2,0,0,0,0|1,0,0]=3 641 B10R1.22 CC1=NC(=C(C(=N1)O)Br)O S216925 [0,2,0,0,0,0|2,0,0]=4 642 B10R1.22 CC1=NC(=NC(=C1Br)C)Cl CDS021082 [0,2,0,0,0,0|1,0,0]=3 643 B10R1.22 CC1=NC(=NC(=C1Br)C)N S885924 [0,2,0,0,0,0|1,0,0]=3 644 B10R1.22 CC1=NC(=NC(=C1Br)O)O PH009737 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.22 CC1=NC(=NC(=C1C)C)N CBR00277 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.22 CC1=NC(=NC(=C1Cl)O)O S359440 [0,2,0,0,0,0|2,0,0]=4 647 B10R1.22 NC1=C(C=C(N=C1Br)Cl)Br ADE000150 [0,2,0,0,0,0|2,0,0]=4 648 B10R1.22 NC1=C(C=C(N=C1Cl)Br)I ADE000561 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,2,0,0,0,0|2,0,0]=4 650 B10R1.119 CC1=C(C(=CC=C1Cl)N)Cl CBR00888 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.119 CC1=C(C(=CC=C1F)O)Cl PH017188 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.119 CC1=C(C(=CC=C1N)Br)C CDS022788 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.119 CC1=C(C=CC(=C1Cl)O)Cl R426490 [0,2,0,0,0,0|2,0,0]=4 654 B10R1.119 CC1=C(C=C[N+](=C1C)[O-])Cl T138479 [0,2,0,0,0,0|1,0,1]=4 655 B10R1.119 CC1=C([N+](=CC=C1N)C)C S995037 [0,2,0,0,0,0|1,0,1]=4 656 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,2,0,0,0,0|1,0,0]=3 657 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.119 CC1=CC=C(C(=C1F)O)F CDS021693 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,2,0,0,0,0|1,0,0]=3 660 B10R1.119 NC1=C(C(=NC=C1I)Cl)I PHB00152 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.119 NC1=NC=C(C(=C1Cl)Cl)Cl PHB00294 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.119 NC1=NC=C(C(=C1I)Cl)Br ADE000793 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.245 C(=O)C1=C(C=CN=C1F)Br SYX00399 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.245 C(=O)C1=C(C=CN=C1F)I SYX00351 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,2,0,0,0,0|1,0,0]=3 668 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,2,0,0,0,0|1,0,0]=3 670 B10R1.245 COC1=C(C=CN=C1Br)I ADE000177 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [0,2,0,0,0,0|1,0,0]=3 673 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [0,2,0,0,0,0|2,0,0]=4 674 B10R1.245 OCC1=C(C=CN=C1Cl)I ADE000565 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.329 CC1=CC(NC(=N1)S)(C)C S547042 [0,2,0,0,0,0|1,0,1]=4 676 B10R1.329 CC1=CC(SC(=N1)N)(C)C R911461 [0,2,0,0,0,0|1,0,1]=4 677 B10R1.329 N1C(=CC(=CC1(C)C)C)C S355887 [0,2,0,0,0,0|0,0,2]=4 678 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,2,0,0,0,0|1,0,0]=3 680 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,2,0,0,0,0|1,0,0]=3 681 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,2,0,0,0,0|2,0,0]=4 682 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,2,0,0,0,0|2,0,0]=4 684 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.25 CC1=NC(=C(C=N1)C#N)N CDS005325 [0,2,0,0,0,0|2,0,0]=4 686 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [0,2,0,0,0,0|0,0,1]=3 687 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.25 COC1=CN=C(N=C1O)C S217115 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.25 N#CC1=C(C=C(N=C1)Cl)Cl CDS006486 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.118 CC1=C(C=C(C(=C1)Br)Br)Br MNO000001 [0,2,0,0,0,0|2,0,0]=4 691 B10R1.118 CC1=C(C=C(C(=C1)I)Br)I S881848 [0,2,0,0,0,0|2,0,0]=4 692 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [0,2,0,0,0,0|2,0,0]=4 694 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [0,2,0,0,0,0|2,0,0]=4 696 B10R1.118 CC1=CC(=C(C=C1Br)Br)C S945935 [0,2,0,0,0,0|1,0,0]=3 697 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.118 CC1=CC(=C(C=C1C)I)I S110043 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,2,0,0,0,0|1,0,0]=3 700 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)C S314269 [0,2,0,0,0,0|1,0,0]=3 701 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)O PH011423 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [0,2,0,0,0,0|2,0,0]=4 703 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [0,2,0,0,0,0|1,0,0]=3 705 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,2,0,0,0,0|1,0,0]=3 706 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [0,2,0,0,0,0|2,0,0]=4 707 B10R1.118 CC1=CC(=O)C(=CC1=O)Br R164224 [0,2,0,0,0,0|2,0,0]=4 708 B10R1.118 CC1=CC(=O)C(=CN1C)O CBR02163 [0,2,0,0,0,0|1,0,1]=4 709 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [0,0,1,0,1,0|2,0,0]=4 710 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,1,0|2,0,0]=4 711 B6R1.2 BrC1=NOC=C1 CDS005417 [1,0,0,0,1,0|2,0,0]=4 712 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,1,0|1,0,0]=3 713 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,1,0|1,0,0]=3 714 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,1,0|1,0,0]=3 715 B6R1.2 CC1=NNC=N1 CDS020176 [1,0,0,0,1,0|2,0,0]=4 716 B6R1.2 ClC1=CNN=C1 CDS019988 [1,0,0,0,1,0|2,0,0]=4 717 B6R1.2 IC1=NNC=C1 BML00254 [1,0,0,0,1,0|2,0,0]=4 718 B6R1.2 N1C=CN=C1N CDS020502 [1,0,0,0,1,0|2,0,0]=4 719 B6R1.2 NC1=CN=CS1 CDS008189 [1,0,0,0,1,0|2,0,0]=4 720 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,1,0|2,0,0]=4 721 B6R1.2 NC1=NC=CS1 R646520 [1,0,0,0,1,0|2,0,0]=4 722 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,1,0|2,0,0]=4 723 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,1,0|2,0,0]=4 724 B10R1.71 CC1=CC=CC=C(CC1)C T190071 [0,0,0,0,0,2|1,0,1]=4 725 B10R1.79 CC1=CCCC(=CCC1)C R750018 [0,0,0,0,0,2|1,0,1]=4