0 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 C1(C=CCC=C1)CO T175528 [0,0,0,0,0,0|1,0,3]=4 4 B8R1.2 C=CC1=CC=CC=C1 S460680 [0,0,0,0,0,0|0,0,0]=0 5 B8R1.2 C=CC1=CC=CC=C1 S461830 [0,0,0,0,0,0|0,0,0]=0 6 B8R1.2 C=CC1=CC=CC=C1 S462152 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.2 COC1=NC=CC=N1 CDS005079 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.2 CSC1=NC=CC=N1 SYX00290 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.2 NCC1=CC=CC=C1 S696684 [0,0,0,0,0,0|1,0,1]=2 11 B8R1.2 NCC1=CN=CC=C1 S763780 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.2 OCC1=CC=CN=N1 CDS015970 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 BrC1=CC=CN=N1 CDS023312 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.3 BrC1=CN=CC=N1 CDS005022 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.3 BrC1=CN=NC=C1 CDS022809 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.3 CC1=CC=NC=C1 T256412 [1,0,0,0,0,0|1,0,1]=3 21 B7R1.3 CC1=CC=NC=C1 T330418 [1,0,0,0,0,0|1,0,1]=3 22 B7R1.3 NC1=CC=CC=C1 S698326 [1,0,0,0,0,0|1,0,0]=2 23 B7R1.3 NC1=CC=CC=N1 S822329 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 NC1=CC=NN=C1 CDS006078 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.3 O=C1C=CC=CN1 T160121 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 O=C1C=CNC=C1 T161470 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 O=C1C=CSC=C1 T162035 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 OC1=CC=NC=C1 CDS013613 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 S=C1C=CSC=C1 S874310 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 SC1=NC=CC=N1 S565652 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.3 [O-]C1=CN=CC=N1 S451452 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.3 [S-]C1=CC=CC=C1 S578991 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [0,1,0,0,0,0|1,0,2]=4 35 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [0,1,0,0,0,0|1,0,2]=4 36 B9R1.1 C#CC1=CC=C(N=C1)Cl CDS021113 [0,1,0,0,0,0|1,0,2]=4 37 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.1 CC1=CC=C(C=C1)CS S369497 [0,1,0,0,0,0|1,0,1]=3 40 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [0,1,0,0,0,0|2,0,0]=3 41 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,1,0,0,0,0|2,0,0]=3 43 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [0,1,0,0,0,0|1,0,2]=4 45 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [0,1,0,0,0,0|1,0,1]=3 46 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [0,1,0,0,0,0|1,0,1]=3 47 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [0,1,0,0,0,0|1,0,1]=3 52 B9R1.1 CSC1=CC=C(C=C1)N S418595 [0,1,0,0,0,0|1,0,1]=3 53 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.1 C[N+]1=CC=C(C=C1)C#N S649082 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.1 N#CC1=CC=C(N=C1)Br CDS003693 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.1 N#CC1=CC=C(N=C1)F CDS002963 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.1 NCC1=CC=C(C=C1)F R750263 [0,1,0,0,0,0|1,0,1]=3 59 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [0,1,0,0,0,0|1,0,1]=3 60 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [0,1,0,0,0,0|1,0,1]=3 64 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [0,1,0,0,0,0|0,0,2]=3 66 B9R1.2 C#CC1=CC(=NC=C1)Cl RNI00128 [0,1,0,0,0,0|1,0,2]=4 67 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,1,0,0,0,0|1,0,2]=4 68 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,0,0,0|1,0,1]=3 72 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,0|2,0,1]=4 73 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,0,0,0|2,0,0]=3 75 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [0,1,0,0,0,0|1,0,2]=4 77 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [0,1,0,0,0,0|1,0,2]=4 78 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,0|0,0,2]=3 79 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,0,0,0|1,0,2]=4 80 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,1,0,0,0,0|1,0,1]=3 81 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,1,0,0,0,0|1,0,1]=3 82 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,0,0,0|1,0,1]=3 89 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [0,1,0,0,0,0|1,0,1]=3 91 B9R1.2 N#CC1=CC=NC(=C1)Br CDS003642 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.2 N#CC1=CC=NC(=C1)N CDS000695 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.2 N#CC1=NC=CC(=C1)Br CDS022066 [0,1,0,0,0,0|2,0,1]=4 94 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,0,0,0|1,0,1]=3 95 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,1,0,0,0,0|1,0,2]=4 109 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [0,1,0,0,0,0|1,0,2]=4 110 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,1,0,0,0,0|1,0,2]=4 111 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,1,0,0,0,0|1,0,2]=4 112 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,1,0,0,0,0|0,0,2]=3 113 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,1,0,0,0,0|1,0,1]=3 114 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,1,0,0,0,0|1,0,1]=3 115 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [0,1,0,0,0,0|1,0,1]=3 116 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.6 NC(=S)C1=NC=CC=N1 BOG00003 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,1,0,0,0,0|1,0,2]=4 125 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,1,0,0,0,0|1,0,2]=4 130 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,1,0,0,0,0|1,0,2]=4 134 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,1,0,0,0,0|1,0,2]=4 135 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,1,0,0,0,0|1,0,1]=3 136 B9R1.8 COCC1=CC=CC=N1 S363146 [0,1,0,0,0,0|1,0,2]=4 137 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,1,0,0,0,0|1,0,1]=3 138 B9R1.8 IC#CC1=NC=CC=C1 RNI00054 [0,1,0,0,0,0|1,0,2]=4 139 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,1,0,0,0,0|1,0,1]=3 140 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,1,0,0,0,0|1,0,2]=4 141 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,1,0,0,0,0|1,0,2]=4 142 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,1,0,0,0,0|1,0,1]=3 143 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,1,0,0,0,0|1,0,2]=4 145 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [0,1,0,0,0,0|1,0,2]=4 146 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,1,0,0,0,0|1,0,2]=4 147 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,1,0,0,0,0|1,0,2]=4 148 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,1,0,0,0,0|1,0,2]=4 149 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,1,0,0,0,0|1,0,2]=4 150 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,1,0,0,0,0|1,0,2]=4 151 B9R1.15 C#CC1=CC=CN=C1F CDS021219 [0,1,0,0,0,0|1,0,2]=4 152 B9R1.15 C#CC1=CC=NC=C1Cl CDS021227 [0,1,0,0,0,0|1,0,2]=4 153 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [0,1,0,0,0,0|1,0,2]=4 154 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.15 CC1=C(C=CC=C1)NN R580260 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [0,1,0,0,0,0|2,0,1]=4 163 B9R1.15 CCN1C=CC=CC1=O S683159 [0,1,0,0,0,0|1,0,2]=4 164 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [0,1,0,0,0,0|1,0,2]=4 165 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [0,1,0,0,0,0|1,0,2]=4 166 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,1,0,0,0,0|1,0,1]=3 167 B9R1.15 CNC1=NC=CC=C1Cl T169315 [0,1,0,0,0,0|2,0,1]=4 168 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,1,0,0,0,0|2,0,1]=4 169 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,1,0,0,0,0|1,0,1]=3 170 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [0,1,0,0,0,0|2,0,1]=4 175 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [0,1,0,0,0,0|1,0,1]=3 181 B9R1.15 NCC1=CC=CC=C1Br T151114 [0,1,0,0,0,0|1,0,1]=3 182 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [0,1,0,0,0,0|2,0,1]=4 184 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [0,1,0,0,0,0|2,0,1]=4 185 B9R1.15 OCC1=CC=CC=N1O S459240 [0,1,0,0,0,0|2,0,1]=4 186 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [0,1,0,0,0,0|2,0,1]=4 187 B9R1.15 OCC1=NC=CC=C1O R578177 [0,1,0,0,0,0|2,0,1]=4 188 B7R0.3 C=C/C=C/C(C)C=C S418986 [0,0,1,0,0,0|0,0,2]=3 189 B7R0.3 C=CCOC(=O)C=C S459836 [0,0,1,0,0,0|2,0,1]=4 190 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,0,0,0,1,0|2,0,1]=4 191 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,0,0,0,1,0|1,0,2]=4 192 B7R1.1 CSC1=CC=CS1 R436550 [0,0,0,0,1,0|2,0,1]=4 193 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,0,0,0,1,0|3,0,0]=4 194 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,0,0,0,1,0|3,0,0]=4 195 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,0,0,0,1,0|3,0,0]=4 196 B7R1.1 NCC1=COC=C1 CDS008929 [0,0,0,0,1,0|2,0,1]=4 197 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,0,0,0,1,0|3,0,0]=4 198 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,0,0,0,1,0|3,0,0]=4 199 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,0,0,0,1,0|3,0,0]=4 200 B7R1.1 OCC1=CC=CN1 CDS009556 [0,0,0,0,1,0|2,0,1]=4 201 B7R1.1 SCC1=CC=CS1 CDS000069 [0,0,0,0,1,0|2,0,1]=4 202 B6R1.1 C1=CC=CC=C1 S458074 [2,0,0,0,0,0|0,0,0]=2 203 B6R1.1 C1=CC=NC=C1 S503533 [2,0,0,0,0,0|1,0,0]=3 204 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,1,0,0,0,0|1,0,1]=4 205 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.3 NC1=CC=C(C=C1)N S706698 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,1,0,0,0,0|1,0,1]=4 214 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,1,0,0,0,0|0,0,1]=3 215 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,1,0,0,0,0|1,0,1]=4 216 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [1,1,0,0,0,0|1,0,1]=4 217 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,1,0,0,0,0|1,0,1]=4 232 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [1,1,0,0,0,0|1,0,1]=4 233 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,1,0,0,0,0|1,0,0]=3 237 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.5 NC1=CC=CC=C1O S378569 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.5 NC1=CC=CC=[N+]1[O-] CDS014426 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.5 O=C1C=CC=CN1[K] T160997 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,1,0,0,1,0|1,0,1]=4 250 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,1,0,0,1,0|2,0,0]=4 251 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,1,0,0,1,0|2,0,0]=4 252 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,1,0,0,1,0|2,0,0]=4 253 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,1,0,0,1,0|2,0,0]=4 254 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,1,0,0,1,0|2,0,0]=4 255 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [0,1,0,0,1,0|2,0,0]=4 256 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,1,0,0,1,0|2,0,0]=4 257 B8R1.8 ON=CC1=CC=CS1 S551848 [0,1,0,0,1,0|2,0,0]=4 258 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [0,1,0,0,1,0|2,0,0]=4 259 B8R1.11 C=CN1C=CN=C1C S463205 [0,1,0,0,1,0|2,0,0]=4 260 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,1,0,0,1,0|2,0,0]=4 261 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [0,1,0,0,1,0|2,0,0]=4 262 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [0,1,0,0,1,0|2,0,0]=4 263 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [0,2,0,0,0,0|1,0,0]=3 264 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [0,2,0,0,0,0|1,0,0]=3 265 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,2,0,0,0,0|0,0,0]=2 266 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [0,2,0,0,0,0|1,0,0]=3 267 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [0,2,0,0,0,0|0,0,2]=4 268 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [0,2,0,0,0,0|1,0,1]=4 269 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [0,2,0,0,0,0|0,0,2]=4 270 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [0,2,0,0,0,0|0,0,2]=4 271 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [0,2,0,0,0,0|0,0,2]=4 272 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [0,2,0,0,0,0|0,0,2]=4 273 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [0,2,0,0,0,0|0,0,2]=4 274 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [0,2,0,0,0,0|0,0,2]=4 275 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,2,0,0,0,0|0,0,2]=4 276 B10R1.1 COCC1=CC=C(C=C1)O S392596 [0,2,0,0,0,0|0,0,2]=4 277 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [0,2,0,0,0,0|0,0,2]=4 278 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [0,2,0,0,0,0|0,0,2]=4 279 B10R1.1 C[N+]1=CC=C(C=C1)/C=N/O S935689 [0,2,0,0,0,0|2,0,0]=4 280 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [0,2,0,0,0,0|0,0,0]=2 281 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [0,2,0,0,0,0|0,0,2]=4 282 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [0,2,0,0,0,0|1,0,1]=4 283 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [0,2,0,0,0,0|1,0,0]=3 284 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [0,2,0,0,0,0|1,0,0]=3 285 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [0,2,0,0,0,0|1,0,0]=3 286 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [0,2,0,0,0,0|1,0,0]=3 287 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [0,2,0,0,0,0|0,0,2]=4 288 B10R1.1 [O-][N+]1=CC=C(C=C1)C=NO PH008962 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.3 BrCC1=CC=C(C=C1)CBr S36308 [0,2,0,0,0,0|1,0,1]=4 290 B10R1.3 C=CC1=CC=C(C=C1)C#N CDS000773 [0,2,0,0,0,0|0,0,0]=2 291 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [0,2,0,0,0,0|0,0,2]=4 292 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [0,2,0,0,0,0|1,0,1]=4 293 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [0,2,0,0,0,0|1,0,1]=4 294 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [0,2,0,0,0,0|1,0,1]=4 295 B10R1.3 N#CC1=CC=C(C=C1)CN CDS003082 [0,2,0,0,0,0|1,0,1]=4 296 B10R1.3 N#CC1=CC=C(C=C1)CS OTV000790 [0,2,0,0,0,0|1,0,1]=4 297 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [0,2,0,0,0,0|1,0,0]=3 298 B10R1.3 NCC1=CC=C(C=C1)CO CDS017680 [0,2,0,0,0,0|1,0,1]=4 299 B10R1.3 O=CC1=CC=C(N=C1)CF PH016021 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [0,2,0,0,0,0|0,0,2]=4 301 B10R1.13 BrC1=CC=C(C=C1)[Sb](I)I PH002149 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,2,0,0,0,0|0,0,0]=2 303 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,2,0,0,0,0|1,0,1]=4 304 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,2,0,0,0,0|1,0,1]=4 305 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,2,0,0,0,0|1,0,1]=4 306 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [0,2,0,0,0,0|0,0,2]=4 307 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [0,2,0,0,0,0|0,0,2]=4 308 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,2,0,0,0,0|1,0,0]=3 309 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [0,2,0,0,0,0|1,0,1]=4 312 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,2,0,0,0,0|1,0,0]=3 314 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,2,0,0,0,0|1,0,0]=3 315 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,2,0,0,0,0|1,0,0]=3 316 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,2,0,0,0,0|1,0,0]=3 317 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,2,0,0,0,0|1,0,0]=3 318 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,2,0,0,0,0|1,0,0]=3 320 B10R1.13 NC(=S)C1=CC=C(C=N1)N BOG00001 [0,2,0,0,0,0|2,0,0]=4 321 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,2,0,0,0,0|1,0,0]=3 322 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,2,0,0,0,0|1,0,0]=3 323 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,2,0,0,0,0|1,0,0]=3 326 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [0,2,0,0,0,0|1,0,0]=3 329 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [0,2,0,0,0,0|1,0,0]=3 330 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [0,2,0,0,0,0|1,0,1]=4 331 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,2,0,0,0,0|1,0,1]=4 332 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,2,0,0,0,0|1,0,1]=4 333 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [0,2,0,0,0,0|1,0,1]=4 334 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [0,2,0,0,0,0|1,0,0]=3 335 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [0,2,0,0,0,0|1,0,1]=4 337 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,2,0,0,0,0|1,0,1]=4 339 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,2,0,0,0,0|1,0,1]=4 340 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,2,0,0,0,0|1,0,1]=4 341 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,2,0,0,0,0|1,0,1]=4 342 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,2,0,0,0,0|1,0,1]=4 343 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [0,2,0,0,0,0|1,0,1]=4 344 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [0,2,0,0,0,0|1,0,1]=4 345 B10R1.25 N#CC1=CC=C(C=C1Cl)Cl S654361 [0,2,0,0,0,0|1,0,1]=4 346 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [0,2,0,0,0,0|1,0,1]=4 347 B10R1.25 NNC1=C(C=C(C=C1)Cl)Br PH008591 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [0,2,0,0,0,0|1,0,0]=3 350 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [0,2,0,0,0,0|1,0,1]=4 352 B10R1.176 C(=O)C1=CC(=C(C=C1)Br)Br R277363 [0,2,0,0,0,0|1,0,0]=3 353 B10R1.176 C=CC1=CC=C([N+](=C1)C)C S605190 [0,2,0,0,0,0|1,0,0]=3 354 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,2,0,0,0,0|1,0,1]=4 355 B10R1.176 CC1=C(C=CC(=C1)C#N)N CDS001194 [0,2,0,0,0,0|1,0,1]=4 356 B10R1.176 CC1=C(C=CC(=C1)CBr)F CDS002874 [0,2,0,0,0,0|1,0,1]=4 357 B10R1.176 CC1=C(C=CC(=C1)CN)F CDS003159 [0,2,0,0,0,0|1,0,1]=4 358 B10R1.176 CC1=C(N=CC(=C1)C=O)Cl KOB0126 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.176 CC1=CC(=CC=C1O)N=O PH004271 [0,2,0,0,0,0|2,0,0]=4 360 B10R1.176 CC1=CC=C(C=C1C)C#N S454001 [0,2,0,0,0,0|1,0,1]=4 361 B10R1.176 CC1=CC=C(C=C1C)[Hg]Cl S881147 [0,2,0,0,0,0|2,0,0]=4 362 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,2,0,0,0,0|0,0,2]=4 363 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,2,0,0,0,0|1,0,1]=4 364 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,2,0,0,0,0|1,0,1]=4 365 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,2,0,0,0,0|1,0,1]=4 366 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,2,0,0,0,0|1,0,1]=4 367 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,2,0,0,0,0|1,0,1]=4 368 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,2,0,0,0,0|1,0,1]=4 369 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,2,0,0,0,0|1,0,1]=4 370 B10R1.176 CSC1=CC=C(C(=C1)C)O S533777 [0,2,0,0,0,0|1,0,1]=4 371 B10R1.176 CSC1=CC=C(C(=C1)Cl)Cl S696323 [0,2,0,0,0,0|1,0,1]=4 372 B10R1.176 CSC1=CC=C(C(=C1)O)N S883239 [0,2,0,0,0,0|1,0,1]=4 373 B10R1.176 ClC1=CC(=CC=C1Br)CBr MNO000028 [0,2,0,0,0,0|1,0,1]=4 374 B10R1.176 FC1=C(C=C(C=C1)CBr)Cl CDS003168 [0,2,0,0,0,0|1,0,1]=4 375 B10R1.176 FC1=CC(=CC=C1Cl)CBr CDS019938 [0,2,0,0,0,0|1,0,1]=4 376 B10R1.176 FC1=CC=C(C=C1F)CS CDS003759 [0,2,0,0,0,0|1,0,1]=4 377 B10R1.176 N#CC1=CC(=C(C=C1)O)F CDS004642 [0,2,0,0,0,0|1,0,1]=4 378 B10R1.176 N#CC1=CC=C(C(=C1)F)Br CDS010530 [0,2,0,0,0,0|1,0,1]=4 379 B10R1.176 N#CC1=CC=C(C(=C1)O)F CDS022789 [0,2,0,0,0,0|1,0,1]=4 380 B10R1.176 NCC1=CC=C(C(=C1)Br)F CDS001554 [0,2,0,0,0,0|1,0,1]=4 381 B10R1.176 O=CC1=CC=C(C(=C1)F)O CDS003043 [0,2,0,0,0,0|1,0,0]=3 382 B10R1.176 O=CC1=CN=C(C(=C1)F)Cl CDS023935 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.176 O=NC1=CC=C(C(=C1)Cl)O S432717 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.176 OCC1=CC(=C(C=C1)Br)Br PH010512 [0,2,0,0,0,0|1,0,1]=4 385 B10R1.176 OCC1=CC=C(C(=C1)F)Cl CDS010758 [0,2,0,0,0,0|1,0,1]=4 386 B10R1.176 [C-]#[N+]C1=CC=C(C(=C1)C)C PH014891 [0,2,0,0,0,0|1,0,1]=4 387 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [0,2,0,0,0,0|1,0,1]=4 388 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [0,2,0,0,0,0|1,0,1]=4 389 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [0,2,0,0,0,0|1,0,1]=4 390 B10R1.2 CC1=C(C=CC=C1NN)Cl CBR00783 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [0,2,0,0,0,0|2,0,0]=4 392 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,2,0,0,0,0|1,0,1]=4 393 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,2,0,0,0,0|1,0,1]=4 394 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,2,0,0,0,0|1,0,1]=4 395 B10R1.2 ClC1=C(C(=CC=C1)CBr)Cl CDS003275 [0,2,0,0,0,0|1,0,1]=4 396 B10R1.2 ClCC1=CC=CC(=C1Cl)Cl CDS013551 [0,2,0,0,0,0|1,0,1]=4 397 B10R1.2 FC1=C(C=CC=C1CBr)Cl CDS003049 [0,2,0,0,0,0|1,0,1]=4 398 B10R1.2 NNC1=CC=CC(=C1Cl)Cl S455369 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [0,2,0,0,0,0|1,0,0]=3 400 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [0,2,0,0,0,0|1,0,0]=3 402 B10R1.2 OCC1=C(C(=CC=C1)Cl)F CDS021698 [0,2,0,0,0,0|1,0,1]=4 403 B10R1.2 OCC1=CC=CC(=C1F)Br CDS016758 [0,2,0,0,0,0|1,0,1]=4 404 B10R1.8 C#CC1=CC(=CC(=C1)C)C CDS021024 [0,2,0,0,0,0|0,0,2]=4 405 B10R1.8 C(=O)C1=CC(=NC(=C1)C)Cl JRD0371 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.8 CC1=CC(=CC(=C1)C=O)F CDS010702 [0,2,0,0,0,0|1,0,0]=3 407 B10R1.8 CC1=CC(=CC(=C1)CN)C CDS003079 [0,2,0,0,0,0|1,0,1]=4 408 B10R1.8 ClCC1=CC(=CC(=C1)Cl)Cl PH011765 [0,2,0,0,0,0|1,0,1]=4 409 B10R1.8 FC1=CC(=CC(=C1)CS)F CDS003557 [0,2,0,0,0,0|1,0,1]=4 410 B10R1.8 N#CC1=CC(=CC(=C1)Br)F CDS003867 [0,2,0,0,0,0|1,0,1]=4 411 B10R1.8 N#CC1=CC(=CC(=C1)Cl)O CDS015881 [0,2,0,0,0,0|1,0,1]=4 412 B10R1.8 N#CC1=CC(=CC(=C1)F)N CDS010984 [0,2,0,0,0,0|1,0,1]=4 413 B10R1.8 O=CC1=CC(=CC(=C1)Cl)F L300993 [0,2,0,0,0,0|1,0,0]=3 414 B10R1.8 OCC1=CC(=CC(=C1)F)Cl L300985 [0,2,0,0,0,0|1,0,1]=4 415 B10R1.8 [C-]#[N+]C1=CC(=CC(=C1)C)C PH015602 [0,2,0,0,0,0|1,0,1]=4 416 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,2,0,0,0,0|0,0,1]=3 417 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,2,0,0,0,0|1,0,0]=3 418 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,2,0,0,0,0|1,0,1]=4 419 B10R1.10 CC1=NC(=CC=C1)C=NO PH011578 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,2,0,0,0,0|0,0,2]=4 421 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [0,2,0,0,0,0|0,0,2]=4 422 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [0,2,0,0,0,0|0,0,2]=4 423 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [0,2,0,0,0,0|1,0,1]=4 424 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [0,2,0,0,0,0|0,0,2]=4 425 B10R1.10 ClC1=CC(=CC=C1)C#CI RNI00103 [0,2,0,0,0,0|0,0,2]=4 426 B10R1.10 FC1=CC=CC(=C1)C#CI RNI00108 [0,2,0,0,0,0|0,0,2]=4 427 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [0,2,0,0,0,0|0,0,2]=4 428 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [0,2,0,0,0,0|1,0,0]=3 429 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [0,2,0,0,0,0|1,0,1]=4 430 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [0,2,0,0,0,0|1,0,1]=4 431 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [0,2,0,0,0,0|1,0,0]=3 432 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [0,2,0,0,0,0|1,0,0]=3 433 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,2,0,0,0,0|0,0,1]=3 434 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [0,2,0,0,0,0|1,0,0]=3 435 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [0,2,0,0,0,0|1,0,0]=3 436 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [0,2,0,0,0,0|0,0,2]=4 437 B10R1.30 C#CC1=C(C=CC(=C1)C)N RNI00125 [0,2,0,0,0,0|0,0,2]=4 438 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.30 C(=O)C1=CC(=NC=C1Br)Br SYX00333 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [0,2,0,0,0,0|1,0,1]=4 441 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,2,0,0,0,0|1,0,1]=4 443 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,2,0,0,0,0|1,0,1]=4 444 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [0,2,0,0,0,0|1,0,0]=3 445 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,2,0,0,0,0|1,0,1]=4 446 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [0,2,0,0,0,0|2,0,0]=4 448 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [0,2,0,0,0,0|0,0,2]=4 450 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [0,2,0,0,0,0|0,0,2]=4 451 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [0,2,0,0,0,0|0,0,2]=4 452 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [0,2,0,0,0,0|0,0,2]=4 453 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [0,2,0,0,0,0|0,0,2]=4 454 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [0,2,0,0,0,0|1,0,1]=4 455 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,2,0,0,0,0|1,0,1]=4 456 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,2,0,0,0,0|1,0,1]=4 457 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,2,0,0,0,0|1,0,1]=4 458 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,2,0,0,0,0|1,0,1]=4 459 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,2,0,0,0,0|1,0,1]=4 460 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [0,2,0,0,0,0|1,0,1]=4 461 B10R1.30 ClC1=CC(=C(C=C1)Br)CBr PH000507 [0,2,0,0,0,0|1,0,1]=4 462 B10R1.30 FC1=CC=C(C(=C1)CBr)Br CDS003096 [0,2,0,0,0,0|1,0,1]=4 463 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [0,2,0,0,0,0|1,0,1]=4 464 B10R1.30 N#CC1=CC(=CC=C1Br)Cl CDS003564 [0,2,0,0,0,0|1,0,1]=4 465 B10R1.30 N#CC1=CC(=CC=C1Cl)N CDS017173 [0,2,0,0,0,0|1,0,1]=4 466 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [0,2,0,0,0,0|1,0,0]=3 467 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [0,2,0,0,0,0|1,0,0]=3 468 B10R1.30 NC1=NC=C(C=C1C=O)F ADE000398 [0,2,0,0,0,0|2,0,0]=4 469 B10R1.30 NC1=NC=C(C=C1C=O)I ADE000277 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.30 NCC1=CC(=CC=C1Cl)Br CDS023703 [0,2,0,0,0,0|1,0,1]=4 471 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [0,2,0,0,0,0|1,0,1]=4 472 B10R1.30 O=CC1=C(C=CC(=N1)Br)F ANV00087 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [0,2,0,0,0,0|1,0,0]=3 474 B10R1.30 O=CC1=CC(=CN=C1Cl)Br ADE000401 [0,2,0,0,0,0|2,0,0]=4 475 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [0,2,0,0,0,0|2,0,0]=4 476 B10R1.30 O=CC1=CC(=CN=C1Cl)F ADE000400 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.30 OCC1=CC(=CC=C1Br)Cl CDS022960 [0,2,0,0,0,0|1,0,1]=4 478 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [0,2,0,0,0,0|1,0,1]=4 479 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [0,2,0,0,0,0|1,0,1]=4 480 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [0,2,0,0,0,0|0,0,0]=2 481 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,2,0,0,0,0|1,0,1]=4 482 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [0,2,0,0,0,0|1,0,1]=4 483 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [0,2,0,0,0,0|0,0,2]=4 484 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [0,2,0,0,0,0|0,0,2]=4 485 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [0,2,0,0,0,0|0,0,2]=4 486 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [0,2,0,0,0,0|0,0,2]=4 487 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [0,2,0,0,0,0|0,0,2]=4 488 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [0,2,0,0,0,0|1,0,0]=3 489 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [0,2,0,0,0,0|1,0,1]=4 490 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [0,2,0,0,0,0|1,0,1]=4 492 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [0,2,0,0,0,0|1,0,1]=4 493 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [0,2,0,0,0,0|1,0,1]=4 494 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [0,2,0,0,0,0|1,0,1]=4 498 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [0,2,0,0,0,0|1,0,0]=3 499 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [0,2,0,0,0,0|1,0,0]=3 502 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [0,2,0,0,0,0|1,0,0]=3 503 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [0,2,0,0,0,0|1,0,1]=4 507 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [0,2,0,0,0,0|1,0,0]=3 512 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.172 C#CC1=CC=CC(=C1)C#N PH000486 [0,2,0,0,0,0|0,0,2]=4 521 B10R1.172 C(=O)C1=CC=CC(=C1)[Hg]Cl S881856 [0,2,0,0,0,0|1,0,0]=3 522 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,2,0,0,0,0|0,0,2]=4 523 B10R1.172 CSC1=CC=CC(=C1)CN CBR01014 [0,2,0,0,0,0|1,0,1]=4 524 B10R1.172 N#CC1=CC(=CC=C1)CS OTV000789 [0,2,0,0,0,0|1,0,1]=4 525 B10R1.172 N#CC1=NC=CC(=C1)C=O CDS015515 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.172 NCC1=CC=CC(=C1)CO CBR00928 [0,2,0,0,0,0|1,0,1]=4 527 B10R1.172 O=CC1=NC(=CC=C1)CO CDS023357 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,2,0,0,0,0|0,0,0]=2 529 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,2,0,0,0,0|1,0,1]=4 530 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,2,0,0,0,0|1,0,1]=4 531 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,2,0,0,0,0|0,0,0]=2 532 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,2,0,0,0,0|0,0,2]=4 533 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,2,0,0,0,0|0,0,2]=4 534 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,2,0,0,0,0|0,0,2]=4 535 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,2,0,0,0,0|1,0,1]=4 536 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,2,0,0,0,0|0,0,2]=4 537 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,2,0,0,0,0|0,0,2]=4 538 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,2,0,0,0,0|1,0,1]=4 539 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,2,0,0,0,0|0,0,2]=4 540 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,2,0,0,0,0|0,0,2]=4 541 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,2,0,0,0,0|1,0,1]=4 542 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [0,2,0,0,0,0|1,0,1]=4 543 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,2,0,0,0,0|0,0,1]=3 544 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,2,0,0,0,0|0,0,2]=4 545 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [0,2,0,0,0,0|1,0,1]=4 546 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,2,0,0,0,0|0,0,2]=4 548 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,2,0,0,0,0|1,0,1]=4 549 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,2,0,0,0,0|0,0,2]=4 550 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,2,0,0,0,0|1,0,0]=3 551 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,2,0,0,0,0|1,0,1]=4 553 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.28 Br[Te](Br)(Br)C1=CC=CC=C1 S949361 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [0,2,0,0,0,0|0,0,2]=4 557 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [0,2,0,0,0,0|1,0,1]=4 558 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [0,2,0,0,0,0|1,0,1]=4 559 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [0,2,0,0,0,0|1,0,1]=4 560 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [0,2,0,0,0,0|1,0,1]=4 561 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [0,2,0,0,0,0|1,0,1]=4 562 B10R1.28 Cl[Te](Cl)(Cl)C1=CC=CC=C1 S940674 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.28 S=P(Cl)(Cl)C1=CC=CC=C1 CDS000508 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [0,2,0,0,0,0|0,0,0]=2 567 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [0,2,0,0,0,0|0,0,2]=4 568 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [0,2,0,0,0,0|0,0,2]=4 569 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [0,2,0,0,0,0|0,0,2]=4 570 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [0,2,0,0,0,0|0,0,2]=4 571 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [0,2,0,0,0,0|1,0,0]=3 572 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [0,2,0,0,0,0|1,0,0]=3 575 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [0,2,0,0,0,0|0,0,2]=4 576 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [0,2,0,0,0,0|1,0,1]=4 577 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [0,2,0,0,0,0|1,0,1]=4 578 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [0,2,0,0,0,0|0,0,2]=4 579 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [0,2,0,0,0,0|1,0,1]=4 580 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [0,2,0,0,0,0|1,0,0]=3 582 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [0,2,0,0,0,0|1,0,0]=3 585 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [0,2,0,0,0,0|1,0,0]=3 586 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [0,2,0,0,0,0|1,0,0]=3 589 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,2,0,0,0,0|1,0,0]=3 596 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,2,0,0,0,0|1,0,0]=3 597 B10R1.4 C=CCN1C=CC=CC1=O T161047 [0,2,0,0,0,0|1,0,0]=3 598 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [0,2,0,0,0,0|1,0,0]=3 599 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,2,0,0,0,0|0,0,0]=2 600 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,2,0,0,0,0|1,0,1]=4 601 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,2,0,0,0,0|0,0,2]=4 603 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,2,0,0,0,0|0,0,2]=4 604 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,2,0,0,0,0|0,0,2]=4 605 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,2,0,0,0,0|0,0,2]=4 606 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,2,0,0,0,0|0,0,2]=4 607 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,2,0,0,0,0|0,0,2]=4 608 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,2,0,0,0,0|0,0,2]=4 609 B10R1.4 C[N+]1=CC=CC=C1/C=N/O R278505 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.4 C[N+]1=CC=CC=C1C=NO S355097 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.4 ClC1=CC=CC=C1C#CI RNI00102 [0,2,0,0,0,0|0,0,2]=4 612 B10R1.4 NC1=NC=CC=C1/C=N/O ADE000280 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,2,0,0,0,0|0,0,2]=4 614 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,2,0,0,0,0|1,0,1]=4 615 B10R1.4 O/N=C/C1=C(C=CN=C1)Cl ADE000661 [0,2,0,0,0,0|2,0,0]=4 616 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,2,0,0,0,0|1,0,0]=3 617 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,2,0,0,0,0|0,0,1]=3 618 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,2,0,0,0,0|1,0,0]=3 619 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,2,0,0,0,0|0,0,2]=4 620 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,2,0,0,0,0|0,0,2]=4 621 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,2,0,0,0,0|0,0,0]=2 622 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,2,0,0,0,0|0,0,0]=2 623 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,2,0,0,0,0|0,0,1]=3 624 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,2,0,0,0,0|1,0,0]=3 625 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,2,0,0,0,0|0,0,0]=2 626 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,2,0,0,0,0|0,0,0]=2 627 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,2,0,0,0,0|0,0,0]=2 628 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,2,0,0,0,0|0,0,2]=4 629 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,2,0,0,0,0|0,0,2]=4 630 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,2,0,0,0,0|0,0,2]=4 631 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [0,2,0,0,0,0|1,0,1]=4 632 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,2,0,0,0,0|0,0,0]=2 633 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,2,0,0,0,0|1,0,1]=4 634 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,2,0,0,0,0|1,0,1]=4 635 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,2,0,0,0,0|1,0,1]=4 636 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,2,0,0,0,0|1,0,1]=4 637 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,2,0,0,0,0|1,0,1]=4 638 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,2,0,0,0,0|0,0,2]=4 639 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,2,0,0,0,0|0,0,2]=4 640 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,2,0,0,0,0|0,0,2]=4 641 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,2,0,0,0,0|0,0,1]=3 642 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,2,0,0,0,0|1,0,1]=4 643 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,2,0,0,0,0|1,0,1]=4 644 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,2,0,0,0,0|1,0,0]=3 645 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,2,0,0,0,0|1,0,1]=4 646 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,2,0,0,0,0|1,0,1]=4 647 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,2,0,0,0,0|1,0,1]=4 648 B10R1.20 C#CC1=CC=CC=C1C#N CDS017415 [0,2,0,0,0,0|0,0,2]=4 649 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,2,0,0,0,0|0,0,0]=2 650 B10R1.20 CNC1=CC=CC=C1C#N PH010322 [0,2,0,0,0,0|1,0,1]=4 651 B10R1.20 CNC1=CC=CC=C1CN PH016819 [0,2,0,0,0,0|1,0,1]=4 652 B10R1.20 COC1=CC=CC=C1NN S264407 [0,2,0,0,0,0|1,0,1]=4 653 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [0,2,0,0,0,0|1,0,1]=4 654 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [0,2,0,0,0,0|1,0,1]=4 656 B10R1.20 CSC1=CC=CC=C1CO PH002490 [0,2,0,0,0,0|1,0,1]=4 657 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [0,2,0,0,0,0|1,0,0]=3 658 B10R1.245 C#CC1=C(C=CC=C1Cl)Cl CDS021281 [0,2,0,0,0,0|0,0,2]=4 659 B10R1.245 C#CC1=C(C=CC=C1F)F CDS021025 [0,2,0,0,0,0|0,0,2]=4 660 B10R1.245 C(=O)C1=C(C=CN=C1F)Br SYX00399 [0,2,0,0,0,0|2,0,0]=4 661 B10R1.245 C(=O)C1=C(C=CN=C1F)I SYX00351 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.245 C(=O)C1=C(C=NC=C1F)F CDS009040 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [0,2,0,0,0,0|1,0,0]=3 664 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [0,2,0,0,0,0|1,0,1]=4 665 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [0,2,0,0,0,0|1,0,1]=4 666 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [0,2,0,0,0,0|1,0,1]=4 667 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [0,2,0,0,0,0|1,0,1]=4 668 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,2,0,0,0,0|1,0,1]=4 669 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,2,0,0,0,0|1,0,1]=4 670 B10R1.245 FC1=CC=CC(=C1CS)F CDS006153 [0,2,0,0,0,0|1,0,1]=4 671 B10R1.245 NCC1=C(C=CC=C1Cl)Cl L480827 [0,2,0,0,0,0|1,0,1]=4 672 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [0,2,0,0,0,0|2,0,0]=4 673 B8R1.22 O=C1C=CC=CC=C1 T166987 [0,0,1,1,0,0|1,0,0]=3 674 B10R2.41 ON1C2=CC=CC1C=C2 T281840 [0,0,0,1,0,1|2,0,0]=4 675 B10R2.138 C1=CC2C=CC(C2)C=C1 T179671 [0,0,0,1,0,1|0,0,2]=4 676 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,1,0,1,0,0|0,0,1]=3 677 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [0,1,0,1,0,0|1,0,0]=3 678 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,1,0,1,0,0|1,0,1]=4 679 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [0,1,0,1,0,0|1,0,0]=3 680 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [0,1,0,1,0,0|1,0,0]=3 681 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [0,1,0,1,0,0|2,0,0]=4 682 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [0,1,0,1,0,0|1,0,0]=3 683 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [0,1,0,1,0,0|2,0,0]=4 684 B10R2.7 C1=CC2=C(S1)C=NC=N2 SYX00365 [0,1,0,1,0,0|2,0,0]=4 685 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [0,1,0,1,0,0|1,0,0]=3 686 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [0,1,0,1,0,0|2,0,0]=4 687 B10R2.7 C1=CN2C=CN=C2N=C1 CDS017059 [0,1,0,1,0,0|2,0,0]=4 688 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [0,1,0,1,0,0|1,0,0]=3 689 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [0,1,0,1,0,0|2,0,0]=4 690 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42812 [0,1,0,1,0,0|2,0,0]=4 691 B10R2.7 C1=C[N+]2=C(N=C1)SC=C2 S42928 [0,1,0,1,0,0|2,0,0]=4 692 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [0,1,0,1,0,0|1,0,0]=3 693 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,1,0|2,0,0]=4 694 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,1,0|1,0,1]=4 695 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,1,0|2,0,0]=4 696 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,1,0|2,0,0]=4 697 B10R1.161 COC1=CC=CC=CC=C1 T179892 [0,0,0,0,0,2|1,0,1]=4