0 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.2 C=CC1=CC=CC=C1 S460680 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.2 C=CC1=CC=CC=C1 S461830 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 C=CC1=CC=CC=C1 S462152 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 COC1=NC=CC=N1 CDS005079 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 COC1CC=CCC1 PH007914 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.2 CSC1=NC=CC=N1 SYX00290 [0,0,0,0,0,0|2,1,0]=3 8 B8R1.2 CSC1=NC=CN=N1 SYX00362 [0,0,0,0,0,0|1,1,0]=2 9 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 NCC1=CC=CC=C1 S696684 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.2 NCC1=CN=CC=C1 S763780 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.2 OCC1=CC=CN=N1 CDS015970 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [0,0,0,0,0,0|3,1,0]=4 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|1,0,0]=2 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|3,0,0]=4 21 B7R1.3 CC1=CC=NC=C1 T330418 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.3 NC1=CC=CC=C1 S698326 [1,0,0,0,0,0|3,0,0]=4 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|1,0,2]=4 26 B7R1.3 OC1=CC=NC=C1 CDS013613 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.3 SC1=NC=CC=N1 S565652 [1,0,0,0,0,0|2,1,0]=4 28 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.3 [O-]C1=CN=CC=N1 S451452 [1,0,0,0,0,0|0,0,1]=2 30 B7R1.3 [S-]C1=CC=CC=C1 S578991 [1,0,0,0,0,0|2,1,0]=4 31 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.1 C#CC1=CC=C(N=C1)Cl CDS021113 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [0,1,0,0,0,0|1,0,0]=2 43 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [0,1,0,0,0,0|2,1,0]=4 46 B9R1.1 CSC1=CC=C(C=C1)N S418595 [0,1,0,0,0,0|2,1,0]=4 47 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [0,1,0,0,0,0|1,1,0]=3 48 B9R1.1 CSC1=NC=C(C=N1)O S217581 [0,1,0,0,0,0|2,1,0]=4 49 B9R1.1 CSC1=NN=C(C=C1)Cl L163783 [0,1,0,0,0,0|2,1,0]=4 50 B9R1.1 N#CC1=CC=C(N=C1)Br CDS003693 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.1 N#CC1=CC=C(N=C1)F CDS002963 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 N#CC1=NC=C(N=C1)Br CDS023192 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.1 N#CC1=NC=C(N=C1)Cl CDS006416 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 NCC1=NC=C(N=C1)Cl CDS021292 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [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|3,0,0]=4 64 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,0|3,0,0]=4 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|3,0,0]=4 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|1,0,0]=2 71 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,1,0,0,0,0|1,0,0]=2 72 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,1,0,0,0,0|1,0,0]=2 73 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [0,1,0,0,0,0|0,0,0]=1 75 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [0,1,0,0,0,0|1,0,0]=2 77 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,0,0,0|2,1,0]=4 79 B9R1.2 CSC1=NC(=CC=N1)I SYX00298 [0,1,0,0,0,0|2,1,0]=4 80 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [0,1,0,0,0,0|2,1,0]=4 81 B9R1.2 CSC1=NC=CC(=N1)O S217336 [0,1,0,0,0,0|2,1,0]=4 82 B9R1.2 CSC1=NC=CC(=N1)O S440043 [0,1,0,0,0,0|2,1,0]=4 83 B9R1.2 CSC1=NC=NC(=C1)Cl SYX00015 [0,1,0,0,0,0|2,1,0]=4 84 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.2 N#CC1=NC=CC(=C1)Br CDS022066 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,0|3,0,0]=4 87 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [0,1,0,0,0,0|2,1,0]=4 103 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.8 CNCC1=NC=NC=C1 PH017743 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.8 CNCC1=NC=NC=C1 PH019105 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.8 COCC1=CC=CC=N1 S363146 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.8 IC#CC1=NC=CC=C1 RNI00054 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.15 C#CC1=CC=CN=C1F CDS021219 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.15 CC1=CC=CN=C1CN CDS004048 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.15 CC1=CC=NC=C1CN CDS013951 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.15 CNC1=NC=CC=C1Cl T169315 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.15 COC1=C(CC=CC1)C S864811 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.15 COC1=CC=CC=C1N CDS000192 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.15 COC1=CC=NC=C1Br CDS007984 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.15 COC1=NC=CC=C1N CDS002836 [0,1,0,0,0,0|1,0,0]=2 140 B9R1.15 COC1=NC=CN=C1I SYX00132 [0,1,0,0,0,0|0,0,0]=1 141 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.15 NC1=CC=NC=C1CO ADE000311 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.15 NC1=NC=CC=C1CO ADE000265 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.15 OCC1=NC=CC=C1O R578177 [0,1,0,0,0,0|3,0,0]=4 148 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,0,0,0,1,0|3,0,0]=4 149 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,0,0,0,1,0|2,0,1]=4 150 B7R1.1 C#CC1=CC=NN1 CDS015894 [0,0,0,0,1,0|2,0,1]=4 151 B7R1.1 CCC1=CNN=C1 CBR01738 [0,0,0,0,1,0|2,0,0]=3 152 B7R1.1 COC1=NCCC1 PH000359 [0,0,0,0,1,0|0,0,3]=4 153 B7R1.1 COC1C=CCC1 S702501 [0,0,0,0,1,0|1,0,2]=4 154 B7R1.1 CSC1=CC=CS1 R436550 [0,0,0,0,1,0|1,1,0]=3 155 B7R1.1 ClCC1=CN=CS1 CBR02473 [0,0,0,0,1,0|3,0,0]=4 156 B7R1.1 ClCC1=CNC=N1 CBR00821 [0,0,0,0,1,0|2,0,1]=4 157 B7R1.1 ClCC1=CSC=N1 SYX00282 [0,0,0,0,1,0|3,0,0]=4 158 B7R1.1 ClCC1=NC=CS1 CBR01833 [0,0,0,0,1,0|3,0,0]=4 159 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,0,0,0,1,0|3,0,0]=4 160 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,0,0,0,1,0|3,0,0]=4 161 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,0,0,0,1,0|3,0,0]=4 162 B7R1.1 N#CC1=CN=CN1 CDS006565 [0,0,0,0,1,0|2,0,1]=4 163 B7R1.1 N#CN1C=CN=C1 CDS017338 [0,0,0,0,1,0|3,0,0]=4 164 B7R1.1 NCC1=CN=CS1 CDS007657 [0,0,0,0,1,0|3,0,0]=4 165 B7R1.1 NCC1=COC=C1 CDS008929 [0,0,0,0,1,0|3,0,0]=4 166 B7R1.1 NCC1=NC=CS1 CDS023086 [0,0,0,0,1,0|3,0,0]=4 167 B7R1.1 NCC1=NC=CS1 PHB00196 [0,0,0,0,1,0|3,0,0]=4 168 B7R1.1 NCC1=NOC=N1 CDS019857 [0,0,0,0,1,0|3,0,0]=4 169 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,0,0,0,1,0|3,0,0]=4 170 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,0,0,0,1,0|3,0,0]=4 171 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,0,0,0,1,0|3,0,0]=4 172 B7R1.1 OCC1=CC=CN1 CDS009556 [0,0,0,0,1,0|2,0,1]=4 173 B7R1.1 OCC1=CN=CS1 CDS004659 [0,0,0,0,1,0|3,0,0]=4 174 B7R1.1 OCC1=CNN=C1 CDS015812 [0,0,0,0,1,0|3,0,0]=4 175 B7R1.1 OCC1=NOC=C1 PHB00207 [0,0,0,0,1,0|3,0,0]=4 176 B7R1.1 SCC1=CC=CS1 CDS000069 [0,0,0,0,1,0|3,0,0]=4 177 B6R0.1 COC(=O)/C=C\I SYX00331 [1,0,1,0,0,0|2,0,0]=4 178 B6R1.1 C1=CC=CC=C1 S458074 [2,0,0,0,0,0|2,0,0]=4 179 B6R1.1 C1=CC=NC=C1 S503533 [2,0,0,0,0,0|1,0,0]=3 180 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,1,0,0,0,0|1,0,1]=4 183 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.3 CC1=NN=C(N=N1)C T170577 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,1,0,0,0,0|1,0,0]=3 190 B8R1.3 NC1=CN=C(C=N1)Cl CDS005437 [1,1,0,0,0,0|1,0,0]=3 191 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,1,0,0,0,0|1,0,1]=4 195 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [1,1,0,0,0,0|1,0,1]=4 196 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [1,1,0,0,0,0|0,0,0]=2 199 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [1,1,0,0,0,0|0,0,0]=2 200 B8R1.4 CC1=NC=NC(=C1)S R901148 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [1,1,0,0,0,0|1,0,0]=3 203 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [1,1,0,0,0,0|1,0,0]=3 206 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [1,1,0,0,0,0|0,0,0]=2 216 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,1,0,0,0,0|1,0,0]=3 219 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [1,1,0,0,0,0|0,0,0]=2 220 B8R1.5 CC1=NC=CN=C1S PH014228 [1,1,0,0,0,0|0,0,0]=2 221 B8R1.5 C[N+]1=CC=CN=C1N S142433 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,1,0,0,0,0|1,0,0]=3 227 B8R1.5 NC1=CC=CC=C1O S378569 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,1,0,0,0,0|1,0,0]=3 233 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,1,0,0,0,0|1,0,0]=3 234 B8R1.1 CCC1=CSC(=N1)N CBR01525 [0,1,0,0,1,0|2,0,0]=4 235 B8R1.1 CCC1=NNC(=C1)N CDS019625 [0,1,0,0,1,0|2,0,0]=4 236 B8R1.1 CCC1=NNC(=N1)N CBR00022 [0,1,0,0,1,0|2,0,0]=4 237 B8R1.1 CCC1=NOC(=N1)O CBR01637 [0,1,0,0,1,0|2,0,0]=4 238 B8R1.1 CCN1C=C(C=N1)Br CDS003673 [0,1,0,0,1,0|2,0,0]=4 239 B8R1.1 CCN1C=NC(=N1)N CBR02286 [0,1,0,0,1,0|2,0,0]=4 240 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [0,1,0,0,1,0|2,0,0]=4 241 B8R1.1 COC1=CN=C(S1)N CDS021689 [0,1,0,0,1,0|1,0,0]=3 242 B8R1.1 COC1=NC(=CS1)Br SYX00375 [0,1,0,0,1,0|1,0,0]=3 243 B8R1.1 COC1=NC(=NN1)Br CBR01778 [0,1,0,0,1,0|1,0,0]=3 244 B8R1.1 COC1=NC=C(S1)Br SYX00323 [0,1,0,0,1,0|1,0,0]=3 245 B8R1.1 COC1=NN=C(S1)O CDS021330 [0,1,0,0,1,0|2,0,0]=4 246 B8R1.1 COC1=NSC(=N1)N PH017254 [0,1,0,0,1,0|1,0,0]=3 247 B8R1.1 CSC1=NC(=CS1)Br SYX00338 [0,1,0,0,1,0|1,1,0]=4 248 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,1,0,0,1,0|1,0,1]=4 249 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,1,0,0,1,0|1,0,1]=4 250 B8R1.7 CC(C)C1=CNN=C1 CBR01677 [0,1,0,0,1,0|2,0,0]=4 251 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,1,0,0,1,0|2,0,0]=4 252 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,1,0,0,1,0|2,0,0]=4 253 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [0,1,0,0,1,0|2,0,0]=4 254 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [0,1,0,0,1,0|2,0,0]=4 255 B8R1.8 BrCCN1C=CC=N1 CDS002854 [0,1,0,0,1,0|2,0,0]=4 256 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,1,0,0,1,0|2,0,0]=4 257 B8R1.8 CNCC1=CC=CS1 PH012021 [0,1,0,0,1,0|2,0,0]=4 258 B8R1.8 CNCC1=CSC=C1 PH015792 [0,1,0,0,1,0|2,0,0]=4 259 B8R1.8 CNCC1=NC=CN1 CBR00689 [0,1,0,0,1,0|1,0,1]=4 260 B8R1.8 ClCCC1=CNN=C1 CBR00809 [0,1,0,0,1,0|2,0,0]=4 261 B8R1.8 ClCCN1C=CC=N1 CDS015079 [0,1,0,0,1,0|2,0,0]=4 262 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,1,0,0,1,0|2,0,0]=4 263 B8R1.8 NCCN1C=CC=N1 CDS008012 [0,1,0,0,1,0|2,0,0]=4 264 B8R1.8 OCCN1C=CC=N1 CDS004224 [0,1,0,0,1,0|2,0,0]=4 265 B8R1.11 CCN1C=CN=C1Br CBR01693 [0,1,0,0,1,0|2,0,0]=4 266 B8R1.11 CCN1N=CN=C1Br CBR01775 [0,1,0,0,1,0|2,0,0]=4 267 B8R1.11 CCN1N=CN=C1N CBR00782 [0,1,0,0,1,0|2,0,0]=4 268 B8R1.11 COC1=NON=C1N CBR00076 [0,1,0,0,1,0|1,0,0]=3 269 B10R1.1 CC1=CN=C(C=N1)CNN PH019269 [0,2,0,0,0,0|2,0,0]=4 270 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [0,2,0,0,0,0|2,0,0]=4 272 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [0,2,0,0,0,0|1,0,0]=3 274 B10R1.1 CCOC1=NC=C(C=N1)Br SYX00297 [0,2,0,0,0,0|2,0,0]=4 275 B10R1.1 CCOC1=NN=C(C=C1)Cl T160105 [0,2,0,0,0,0|2,0,0]=4 276 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.1 COCC1=CC=C(C=C1)O S392596 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.3 C#CC1=CC=C(C=N1)OC CDS023940 [0,2,0,0,0,0|1,0,0]=3 279 B10R1.3 C(=O)C1=CN=C(N=C1)OC CDS007915 [0,2,0,0,0,0|2,0,0]=4 280 B10R1.3 CCC1=CN=C(C=C1)CCl PH018993 [0,2,0,0,0,0|2,0,0]=4 281 B10R1.3 CCC1=CN=C(C=C1)CN PH017759 [0,2,0,0,0,0|2,0,0]=4 282 B10R1.3 CCC1=CN=C(C=C1)CO CBR01470 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.3 CNC1=NC=C(C=C1)CN PH019550 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [0,2,0,0,0,0|2,0,0]=4 285 B10R1.3 COC1=CN=C(C=C1)CCl CDS023439 [0,2,0,0,0,0|1,0,0]=3 286 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,2,0,0,0,0|2,0,0]=4 287 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,2,0,0,0,0|2,0,0]=4 288 B10R1.13 CC1=CN=C(C=N1)C(=N)N CDS008457 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.13 CN(C)C1=NC=C(C=C1)Br SYX00280 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [0,2,0,0,0,0|1,0,0]=3 293 B10R1.25 COC1=C(N=C(N=C1)N)O S108472 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [0,2,0,0,0,0|2,0,0]=4 296 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [0,2,0,0,0,0|2,0,0]=4 297 B10R1.25 COC1=CC=C(N=C1Br)I ADE000467 [0,2,0,0,0,0|1,0,0]=3 298 B10R1.25 COC1=CC=C(N=C1I)I ADE000548 [0,2,0,0,0,0|1,0,0]=3 299 B10R1.25 COC1=CN=C(N=C1O)C S217115 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.25 COC1=CN=C(N=C1[O-])[S-] S217034 [0,2,0,0,0,0|2,0,0]=4 301 B10R1.25 COC1=NC=C(C=C1I)Br ADE000276 [0,2,0,0,0,0|1,0,0]=3 302 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [0,2,0,0,0,0|1,0,0]=3 303 B10R1.25 COC1=NC=C(C=C1I)Cl ADE000169 [0,2,0,0,0,0|1,0,0]=3 304 B10R1.25 COC1=NC=C(C=C1N)Br ADE000451 [0,2,0,0,0,0|1,0,0]=3 305 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [0,2,0,0,0,0|1,0,0]=3 306 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [0,2,0,0,0,0|1,0,0]=3 307 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [0,2,0,0,0,0|2,0,0]=4 308 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [0,2,0,0,0,0|1,0,0]=3 311 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,2,0,0,0,0|2,0,0]=4 312 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,2,0,0,0,0|2,0,0]=4 315 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,2,0,0,0,0|2,0,0]=4 316 B10R1.176 COC1=NC(=O)N(C=C1)C S787183 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [0,2,0,0,0,0|1,0,0]=3 321 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [0,2,0,0,0,0|1,0,0]=3 322 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [0,2,0,0,0,0|1,0,0]=3 323 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [0,2,0,0,0,0|1,0,0]=3 324 B10R1.8 COC1=NC(=NC(=C1)I)N SYX00382 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [0,2,0,0,0,0|1,0,0]=3 328 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [0,2,0,0,0,0|1,0,0]=3 329 B10R1.10 CCOC1=NC=CC(=O)N1 PH009485 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,2,0,0,0,0|1,0,0]=3 333 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,2,0,0,0,0|1,0,0]=3 335 B10R1.30 COC1=C(C=NC(=N1)Cl)F CBR01803 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [0,2,0,0,0,0|1,0,0]=3 337 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [0,2,0,0,0,0|1,0,0]=3 342 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [0,2,0,0,0,0|1,0,0]=3 343 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [0,2,0,0,0,0|1,0,0]=3 344 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [0,2,0,0,0,0|1,0,0]=3 345 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [0,2,0,0,0,0|1,0,0]=3 346 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [0,2,0,0,0,0|1,0,0]=3 347 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.30 COC1=NC(=O)NC=C1C T263567 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.113 CN(C)C1=CC=CC(=N1)Br CDS004323 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.113 CN(C)C1=CN=CC(=N1)I SYX00371 [0,2,0,0,0,0|1,0,0]=3 354 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.172 CCC1=CC(=CC=C1)OC S431338 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.172 COC1=CC(=CC=N1)CO KOB0133 [0,2,0,0,0,0|1,0,0]=3 357 B10R1.172 COC1=CC=CC(=N1)CN CDS023584 [0,2,0,0,0,0|1,0,0]=3 358 B10R1.172 COC1=CC=CC(=N1)CO ADE000358 [0,2,0,0,0,0|1,0,0]=3 359 B10R1.172 COC1=CN=CC(=C1)C#N ADE000443 [0,2,0,0,0,0|1,0,0]=3 360 B10R1.172 COC1=CN=CC(=C1)CO ADE000457 [0,2,0,0,0,0|1,0,0]=3 361 B10R1.172 COC1=NC(=CC=C1)CCl CDS023330 [0,2,0,0,0,0|1,0,0]=3 362 B10R1.172 COC1=NC(=CC=N1)C=O CDS022680 [0,2,0,0,0,0|2,0,0]=4 363 B10R1.172 COC1=NC=CC(=C1)CBr CDS024133 [0,2,0,0,0,0|1,0,0]=3 364 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,2,0,0,0,0|2,0,0]=4 366 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,2,0,0,0,0|2,0,0]=4 368 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,2,0,0,0,0|1,1,0]=4 370 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,2,0,0,0,0|2,0,0]=4 371 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,2,0,0,0,0|2,0,0]=4 372 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,2,0,0,0,0|2,0,0]=4 373 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [0,2,0,0,0,0|2,0,0]=4 374 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [0,2,0,0,0,0|1,0,0]=3 375 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [0,2,0,0,0,0|2,0,0]=4 376 B10R1.61 O=C(O)C1=NC=CN=C1Cl PH009862 [0,2,0,0,0,0|2,0,0]=4 377 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [0,2,0,0,0,0|2,0,0]=4 378 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,2,0,0,0,0|2,0,0]=4 379 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [0,2,0,0,0,0|1,0,0]=3 380 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [0,2,0,0,0,0|2,0,0]=4 381 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,2,0,0,0,0|2,0,0]=4 382 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,2,0,0,0,0|2,0,0]=4 383 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,2,0,0,0,0|2,0,0]=4 384 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,2,0,0,0,0|1,1,0]=4 385 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,2,0,0,0,0|2,0,0]=4 387 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,2,0,0,0,0|2,0,0]=4 388 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,2,0,0,0,0|2,0,0]=4 389 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,2,0,0,0,0|2,0,0]=4 390 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,2,0,0,0,0|1,0,0]=3 392 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [0,2,0,0,0,0|2,0,0]=4 394 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,2,0,0,0,0|2,0,0]=4 395 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,2,0,0,0,0|2,0,0]=4 396 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,2,0,0,0,0|1,0,1]=4 397 B10R1.20 CNC1=CC=CN=C1NC PH018784 [0,2,0,0,0,0|2,0,0]=4 398 B10R1.20 COC1=CC=CC=C1NN S264407 [0,2,0,0,0,0|2,0,0]=4 399 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.20 COC1=NC=CC=C1C#N CBR01155 [0,2,0,0,0,0|1,0,0]=3 402 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.245 COC1=C(C=CN=C1Br)I ADE000177 [0,2,0,0,0,0|1,0,0]=3 405 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [0,2,0,0,0,0|1,0,0]=3 406 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [0,2,0,0,0,0|1,0,0]=3 407 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [0,1,0,1,0,0|1,0,1]=4 408 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,1,0,1,0,0|1,0,1]=4 409 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,1,0|2,0,0]=4 410 B6R1.2 BrC1=NOC=C1 CDS005417 [1,0,0,0,1,0|2,0,0]=4 411 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,1,0|1,0,0]=3 412 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,1,0|1,0,0]=3 413 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,1,0|1,0,0]=3 414 B6R1.2 CC1=NNC=N1 CDS020176 [1,0,0,0,1,0|1,0,0]=3 415 B6R1.2 ClC1=CNN=C1 CDS019988 [1,0,0,0,1,0|2,0,0]=4 416 B6R1.2 IC1=NNC=C1 BML00254 [1,0,0,0,1,0|2,0,0]=4 417 B6R1.2 N1C=CN=C1N CDS020502 [1,0,0,0,1,0|1,0,1]=4 418 B6R1.2 NC1=CN=CS1 CDS008189 [1,0,0,0,1,0|2,0,0]=4 419 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,1,0|2,0,0]=4 420 B6R1.2 NC1=NC=CS1 R646520 [1,0,0,0,1,0|2,0,0]=4 421 B6R1.2 OC1=NN=CS1 CBR01616 [1,0,0,0,1,0|2,0,0]=4 422 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,1,0|1,0,0]=3 423 B10R1.161 COC1=CC=CC=CC=C1 T179892 [0,0,0,0,0,2|2,0,0]=4 424 B10R1.161 COC1=NC=CCC=CC1 T174092 [0,0,0,0,0,2|1,0,0]=3