0 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.1 C#CC1=CC=CS1 CDS010938 [0,0,0,0,0,0|1,1,1]=3 2 B7R1.1 C#CC1=CC=NN1 CDS015894 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 CSC1=CC=CS1 R436550 [0,0,0,0,0,0|2,1,0]=3 4 B7R1.1 ClCC1=CN=CS1 CBR02473 [0,0,0,0,0,0|2,1,1]=4 5 B7R1.1 ClCC1=CNC=N1 CBR00821 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.1 ClCC1=CSC=N1 SYX00282 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 ClCC1=NC=CS1 CBR01833 [0,0,0,0,0,0|2,1,1]=4 8 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [0,0,0,0,0,0|2,1,0]=3 10 B7R1.1 Cl[Hg]C1=COC=C1 S814148 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 N#CC1=CN=CN1 CDS006565 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.1 NCC1=CN=CS1 CDS007657 [0,0,0,0,0,0|2,1,1]=4 13 B7R1.1 NCC1=COC=C1 CDS008929 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.1 NCC1=NC=CS1 CDS023086 [0,0,0,0,0,0|2,1,1]=4 15 B7R1.1 NCC1=NC=CS1 PHB00196 [0,0,0,0,0,0|2,1,1]=4 16 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.1 O=CC1=CNN=N1 CDS009687 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,0,0,0,0,0|2,0,0]=2 20 B7R1.1 O=CC1CCCO1 CDS005466 [0,0,0,0,0,0|0,0,4]=4 21 B7R1.1 OCC1=CC=CN1 CDS009556 [0,0,0,0,0,0|1,0,2]=3 22 B7R1.1 OCC1=CN=CS1 CDS004659 [0,0,0,0,0,0|1,1,2]=4 23 B7R1.1 OCC1=NOC=C1 PHB00207 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.1 SCC1=CC=CS1 CDS000069 [0,0,0,0,0,0|0,2,1]=3 25 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,0,0|1,0,0]=2 26 B6R1.2 BrC1=NOC=C1 CDS005417 [1,0,0,0,0,0|3,0,0]=4 27 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,0,0|2,0,1]=4 28 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,0,0|2,0,1]=4 29 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,0,0|1,1,1]=4 30 B6R1.2 IC1=NNC=C1 BML00254 [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 N1C=CN=C1N CDS020502 [1,0,0,0,0,0|3,0,0]=4 32 B6R1.2 NC1=CN=CS1 CDS008189 [1,0,0,0,0,0|2,1,0]=4 33 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,0,0|3,0,0]=4 34 B6R1.2 NC1=NC=CS1 R646520 [1,0,0,0,0,0|2,1,0]=4 35 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,0,0|3,0,0]=4 36 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,0,0,0|1,0,1]=3 37 B6R1.2 O=C1NC=CN1 CBR02030 [1,0,0,0,0,0|2,0,0]=3 38 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,0,0|2,0,1]=4 39 B6R1.2 S=C1NC=CS1 PH000321 [1,0,0,0,0,0|1,2,0]=4 40 B8R1.1 C(=O)C1=CN=C(S1)Br CDS004410 [0,1,0,0,0,0|1,1,0]=3 41 B8R1.1 C(=O)C1=CSC(=N1)Cl SYX00410 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.1 CC1=CN=C(O1)CN CDS008557 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [0,1,0,0,0,0|1,1,0]=3 44 B8R1.1 CC1=NOC(=C1)C#N CBR00067 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,1,0,0,0,0|1,0,0]=2 46 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.1 Cl[Hg]C1=CC=C(O1)Cl S814490 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.1 N#CC1=CC(=CN1)Br CBR01780 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.1 N#CC1=CC(=CS1)Br CDS003609 [0,1,0,0,0,0|1,1,1]=4 50 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [0,1,0,0,0,0|1,1,1]=4 51 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [0,1,0,0,0,0|1,1,1]=4 52 B8R1.1 O=CC1=CN=C(S1)Cl CDS016382 [0,1,0,0,0,0|1,1,0]=3 53 B8R1.1 O=CC1=CN=C(S1)Cl SYX00395 [0,1,0,0,0,0|1,1,0]=3 54 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,1,0,0,0,0|0,1,2]=4 55 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,1,0,0,0,0|0,1,2]=4 56 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [0,1,0,0,0,0|1,1,1]=4 59 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [0,1,0,0,0,0|1,1,1]=4 60 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [0,1,0,0,0,0|1,0,0]=2 61 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [0,1,0,0,0,0|1,1,0]=3 63 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [0,1,0,0,0,0|1,1,0]=3 65 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [0,1,0,0,0,0|0,1,0]=2 66 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [0,1,0,0,0,0|0,2,0]=3 67 B8R1.7 NC(=S)C1=CNC=N1 CDS015089 [0,1,0,0,0,0|2,1,0]=4 68 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [0,1,0,0,0,0|2,1,0]=4 69 B8R1.7 NC(=S)C1=CSC=N1 PH015038 [0,1,0,0,0,0|2,1,0]=4 70 B8R1.7 O=C(O)C1=CC=CO1 S927228 [0,1,0,0,0,0|0,0,0]=1 71 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [0,1,0,0,0,0|1,1,0]=3 73 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [0,1,0,0,0,0|1,1,0]=3 74 B8R1.7 O=C(O)C1=CN=NN1 CDS001736 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.7 O=C(O)C1=CNN=N1 CDS008829 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.7 O=C(O)C1=CSN=C1 T312894 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.7 O=C(O)C1=CSN=N1 CDS016592 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.7 O=C(O)C1=NC=CN1 CDS019334 [0,1,0,0,0,0|2,0,0]=3 80 B8R1.7 O=C(O)C1=NON=C1 CDS009561 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.7 O=C(O)C1C=CCO1 CDS025234 [0,1,0,0,0,0|0,0,2]=3 82 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,1,0,0,0,0|1,1,1]=4 83 B8R1.8 CNCC1=CC=CS1 PH012021 [0,1,0,0,0,0|1,1,1]=4 84 B8R1.8 N#CCC1=CC=CO1 JRD0290 [0,1,0,0,0,0|1,0,1]=3 85 B8R1.8 N#C[Hg]C1=CC=CO1 S815810 [0,1,0,0,0,0|1,0,1]=3 86 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,1,0,0,0,0|1,0,1]=3 87 B8R1.8 NNCC1=CC=CS1 CBR01534 [0,1,0,0,0,0|1,1,1]=4 88 B8R1.8 O=CNC1=NC=CS1 PH004567 [0,1,0,0,0,0|1,1,0]=3 89 B8R1.8 ON=CC1=CC=CS1 S551848 [0,1,0,0,0,0|0,1,1]=3 90 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [0,1,0,0,0,0|0,0,0]=1 92 B8R1.11 CC1=C(SC=C1)CN CDS015230 [0,1,0,0,0,0|1,1,1]=4 93 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [0,1,0,0,0,0|0,0,0]=1 94 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [0,0,0,0,0,1|3,0,0]=4 96 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [0,0,0,0,0,1|2,0,1]=4 97 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [0,0,0,0,0,1|2,0,0]=3 98 B8R1.2 C=CC1=CC=CC=C1 S460680 [0,0,0,0,0,1|2,0,0]=3 99 B8R1.2 C=CC1=CC=CC=C1 S461830 [0,0,0,0,0,1|2,0,0]=3 100 B8R1.2 C=CC1=CC=CC=C1 S462152 [0,0,0,0,0,1|2,0,0]=3 101 B8R1.2 COC1=NC=CC=N1 CDS005079 [0,0,0,0,0,1|3,0,0]=4 102 B8R1.2 CSC1=NC=CC=N1 SYX00290 [0,0,0,0,0,1|3,0,0]=4 103 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [0,0,0,0,0,1|3,0,0]=4 104 B8R1.2 NCC1=CC=CC=C1 S696684 [0,0,0,0,0,1|2,0,1]=4 105 B8R1.2 NCC1=CN=CC=C1 S763780 [0,0,0,0,0,1|2,0,1]=4 106 B8R1.2 NCC1=CN=CC=N1 CDS009594 [0,0,0,0,0,1|2,0,1]=4 107 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [0,0,0,0,0,1|1,0,0]=2 108 B8R1.2 O=CC1=COCCO1 CDS007966 [0,0,0,0,0,1|0,0,2]=3 109 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [0,0,0,0,0,1|2,0,0]=3 110 B8R1.2 OCC1=CC=CN=N1 CDS015970 [0,0,0,0,0,1|1,0,2]=4 111 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [0,0,0,0,0,1|3,0,0]=4 112 B5R0.1 C=COC(=O)C S458201 [1,0,1,0,0,0|0,0,1]=3 113 B5R0.1 CC(=O)/C=C\N S312274 [1,0,1,0,0,0|2,0,0]=4 114 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,1,0,0,0|1,0,0]=3 115 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,1,0,0,0|1,0,0]=3 116 B5R0.1 O=C([O-])/C=C\Cl T234753 [1,0,1,0,0,0|1,0,1]=4 117 B5R0.2 C(=O)CCC=C CDS000721 [1,0,1,0,0,0|0,0,2]=4 118 B7R0.3 C=CCOC(=O)C=C S459836 [0,1,1,0,0,0|2,0,0]=4 119 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,1,1,0,0,0|1,0,1]=4 120 B7R0.4 C=CCOCC(=O)O CDS023318 [0,1,1,0,0,0|0,0,2]=4 121 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [1,1,0,0,0,0|1,0,0]=3 122 B7R1.2 BrC1=COC(=C1)Br T266507 [1,1,0,0,0,0|1,0,0]=3 123 B7R1.2 NC1=CC(=NO1)N CBR01619 [1,1,0,0,0,0|2,0,0]=4 124 B7R1.2 NC1=CC(=O)N=N1 S561037 [1,1,0,0,0,0|2,0,0]=4 125 B7R1.2 O=C1C=C(CC1)Cl PH014653 [1,1,0,0,0,0|1,0,1]=4 126 B7R1.2 O=C1C=C(CO1)Br SYX00384 [1,1,0,0,0,0|0,0,1]=3 127 B7R1.2 O=C1C=CC(=O)O1 S453374 [1,1,0,0,0,0|0,0,0]=2 128 B7R1.4 CC1=C(C=NO1)I CDS015521 [1,1,0,0,0,0|1,0,1]=4 129 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [0,1,0,0,0,1|1,0,0]=3 130 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [0,1,0,0,0,1|1,0,0]=3 131 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,1,0,0,0,1|1,0,0]=3 132 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [0,1,0,0,0,1|1,0,0]=3 133 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [0,1,0,0,0,1|1,0,0]=3 134 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [0,1,0,0,0,1|1,0,0]=3 135 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [0,1,0,0,0,1|1,0,0]=3 136 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,0,0,1|2,0,0]=4 137 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,0,0,1|1,0,0]=3 138 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [0,1,0,0,0,1|1,0,0]=3 139 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [0,1,0,0,0,1|1,0,0]=3 140 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [0,1,0,0,0,1|1,0,0]=3 141 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [0,1,0,0,0,1|2,0,0]=4 142 B9R1.6 NC(=S)C1=NC=CC=N1 BOG00003 [0,1,0,0,0,1|1,1,0]=4 143 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,1,0,0,0,1|1,0,0]=3 144 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [0,1,0,0,0,1|2,0,0]=4 145 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,1,0,0,0,1|1,0,0]=3 146 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,1,0,0,0,1|1,0,0]=3 147 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,1,0,0,0,1|1,0,0]=3 148 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,1,0,0,0,1|2,0,0]=4 149 B9R1.6 O=C(O)C1=COCCO1 T325333 [0,1,0,0,0,1|0,0,2]=4 150 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,1,0,0,0,1|1,0,1]=4 151 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,1,0,0,0,1|1,0,0]=3 152 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,1,0,0,0,1|2,0,0]=4 153 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,1,0,0,0,1|1,0,1]=4 154 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [0,1,0,0,0,1|1,0,0]=3 155 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,1,0,0,0,1|2,0,0]=4 156 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [0,1,0,0,0,1|1,0,1]=4 157 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [0,1,0,0,0,1|1,0,0]=3 158 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [0,1,0,0,0,1|2,0,0]=4 159 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [0,1,0,0,0,1|1,0,0]=3 160 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [0,1,0,0,0,1|1,0,0]=3 161 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [0,1,0,0,0,1|1,0,0]=3 162 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [0,1,0,0,0,1|1,0,0]=3 163 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [0,1,0,0,0,1|1,0,0]=3 164 B9R1.7 CC1=CSC(=N1)NC=O PH009361 [0,2,0,0,0,0|1,1,0]=4 165 B9R1.7 CCCC1=CC=C(O1)C L159743 [0,2,0,0,0,0|1,0,1]=4 166 B9R1.7 CNCC1=CC=C(O1)C CDS003835 [0,2,0,0,0,0|1,0,1]=4 167 B9R1.7 O/N=C/C1=CC(=CS1)Br PH011720 [0,2,0,0,0,0|0,1,1]=4 168 B9R1.21 C(=O)C1=CC=C(S1)C#N CDS012107 [0,2,0,0,0,0|0,1,0]=3 169 B9R1.21 CCC1=NC(=CN1)C=O PH017761 [0,2,0,0,0,0|2,0,0]=4 170 B9R1.21 CSC1=CC=C(S1)C=O CDS013663 [0,2,0,0,0,0|0,1,0]=3 171 B9R1.21 Cl[Hg]C1=CC=C(O1)[Hg]Cl S813184 [0,2,0,0,0,0|2,0,0]=4 172 B9R1.21 N#CC1=CC(=CN1)C=O CBR01512 [0,2,0,0,0,0|2,0,0]=4 173 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [0,2,0,0,0,0|1,0,0]=3 174 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [0,2,0,0,0,0|2,0,0]=4 175 B9R1.22 CC1=NN(C(=C1)C=O)C TMT00498 [0,2,0,0,0,0|2,0,0]=4 176 B9R1.23 C(=O)C1=NC(=C(N1)C)C CDS016039 [0,2,0,0,0,0|2,0,0]=4 177 B9R1.23 C(=O)C1=NN(C(=C1)C)C CDS014622 [0,2,0,0,0,0|2,0,0]=4 178 B9R1.23 CC1=C(SC(=N1)C=O)Br CDS024428 [0,2,0,0,0,0|1,1,0]=4 179 B9R1.23 Cl[Hg]C1=CC(=C(O1)Br)Br S820008 [0,2,0,0,0,0|2,0,0]=4 180 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,2,0,0,0,0|0,1,0]=3 181 B9R1.35 CC(=O)C1=CN=C(O1)N CBR01750 [0,2,0,0,0,0|1,0,0]=3 182 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,2,0,0,0,0|2,0,0]=4 183 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [0,2,0,0,0,0|2,0,0]=4 184 B9R1.35 CC1=CC(=CS1)C(=O)O SYX00379 [0,2,0,0,0,0|2,0,0]=4 185 B9R1.35 CC1=CC=C(O1)B(O)O CDS019945 [0,2,0,0,0,0|1,0,1]=4 186 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,2,0,0,0,0|0,0,0]=2 187 B9R1.35 CC1=CC=C(O1)[N+](=O)[O-] R397482 [0,2,0,0,0,0|1,0,0]=3 188 B9R1.35 CC1=CNC(=N1)C(=O)O CBR02470 [0,2,0,0,0,0|2,0,0]=4 189 B9R1.35 CC1=CSC(=N1)C(=O)O CDS022513 [0,2,0,0,0,0|1,1,0]=4 190 B9R1.35 CC1=NC=C(S1)C(=O)O ANV00256 [0,2,0,0,0,0|1,1,0]=4 191 B9R1.35 CC1=NOC(=C1)C(=O)O PH000227 [0,2,0,0,0,0|1,0,0]=3 192 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [0,2,0,0,0,0|0,1,0]=3 193 B9R1.35 NC(=O)C1=NNC(=C1)N CBR00929 [0,2,0,0,0,0|2,0,0]=4 194 B9R1.35 NC1=CSC(=C1)C(=O)O CDS010170 [0,2,0,0,0,0|0,1,0]=3 195 B9R1.35 NC1=NC(=CS1)C(=O)O CDS003787 [0,2,0,0,0,0|2,0,0]=4 196 B9R1.35 NC1=NC=C(O1)C(=O)O CDS023546 [0,2,0,0,0,0|1,0,0]=3 197 B9R1.35 NC1=NC=C(S1)C(=O)O CDS004559 [0,2,0,0,0,0|1,1,0]=4 198 B9R1.35 O=C(Cl)C1=CC(=CS1)Br CDS013861 [0,2,0,0,0,0|0,1,0]=3 199 B9R1.35 O=C(O)C1=CC=C(O1)Cl CDS012743 [0,2,0,0,0,0|0,0,0]=2 200 B9R1.35 O=C(O)C1=CN=C(S1)Cl CDS005928 [0,2,0,0,0,0|1,1,0]=4 201 B9R1.35 O=C(O)C1=CNC(=N1)O CDS002053 [0,2,0,0,0,0|2,0,0]=4 202 B9R1.35 O=C(O)C1=CSC(=C1)Br CDS013228 [0,2,0,0,0,0|2,0,0]=4 203 B9R1.35 O=C(O)C1=CSC(=N1)Br CDS004762 [0,2,0,0,0,0|2,0,0]=4 204 B9R1.35 O=C(O)C1=CSC(=N1)Br SYX00342 [0,2,0,0,0,0|2,0,0]=4 205 B9R1.35 O=C(O)C1=CSC(=N1)Cl JRD0388 [0,2,0,0,0,0|2,0,0]=4 206 B9R1.35 O=C1NC=C(N1)C(=O)O CBR00002 [0,2,0,0,0,0|2,0,0]=4 207 B9R1.35 O=[N+]([O-])C1=CC=C(S1)I PH004031 [0,2,0,0,0,0|1,1,0]=4 208 B9R1.11 C/C(=N/O)/C1=CC=CO1 S602906 [0,2,0,0,0,0|0,0,1]=3 209 B9R1.11 C/C(=N\N)/C1=CC=CS1 L164542 [0,2,0,0,0,0|1,1,0]=4 210 B9R1.11 C/C(=N\O)/C1=CC=CN1 L166960 [0,2,0,0,0,0|1,0,1]=4 211 B9R1.11 CC(NO)C1=CC=CO1 CVT00078 [0,2,0,0,0,0|0,0,2]=4 212 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,2,0,0,0,0|1,0,0]=3 213 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,2,0,0,0,0|0,0,0]=2 214 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,2,0,0,0,0|2,0,0]=4 215 B9R1.19 O=S(=O)([O-])C1=CC=CS1 S435635 [0,2,0,0,0,0|1,1,0]=4 216 B9R1.41 CC(=O)C1=CNC=C1C L164399 [0,2,0,0,0,0|2,0,0]=4 217 B9R1.41 CC1=C(C=CN1)C(=O)O CBR01791 [0,2,0,0,0,0|2,0,0]=4 218 B9R1.41 CC1=C(C=CS1)C(=O)O PH005181 [0,2,0,0,0,0|2,0,0]=4 219 B9R1.41 CC1=C(N=CS1)C(=O)O CDS007674 [0,2,0,0,0,0|2,0,0]=4 220 B9R1.41 CC1=C(NC=C1)C(=O)O T325260 [0,2,0,0,0,0|1,0,0]=3 221 B9R1.41 CC1=C(NC=N1)C(=O)O CDS007137 [0,2,0,0,0,0|2,0,0]=4 222 B9R1.41 CC1=C(ON=C1)C(=O)O CDS012084 [0,2,0,0,0,0|1,0,0]=3 223 B9R1.41 CC1=C(SC=C1)[N+](=O)[O-] PH003225 [0,2,0,0,0,0|1,1,0]=4 224 B9R1.41 CN1C=CC=C1C(=O)Cl PH016725 [0,2,0,0,0,0|1,0,0]=3 225 B9R1.41 CN1C=CN=C1C(=O)Cl PH018704 [0,2,0,0,0,0|2,0,0]=4 226 B9R1.41 CN1C=CN=C1C(=O)[O-] CDS003312 [0,2,0,0,0,0|2,0,0]=4 227 B9R1.41 NC(=O)C1=C(C=NN1)N CBR00702 [0,2,0,0,0,0|2,0,0]=4 228 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [0,2,0,0,0,0|2,0,0]=4 229 B9R1.41 O=C(Cl)C1=C(C=CS1)Br PH010582 [0,2,0,0,0,0|0,1,0]=3 230 B9R1.41 O=C(Cl)C1=C(C=CS1)Cl CDS013694 [0,2,0,0,0,0|0,1,0]=3 231 B9R1.41 O=C(O)C1=C(C=CN1)Cl T266515 [0,2,0,0,0,0|1,0,0]=3 232 B9R1.41 O=C(O)C1=C(C=CO1)Br CDS020682 [0,2,0,0,0,0|0,0,0]=2 233 B9R1.41 O=C(O)C1=C(OC=C1)Cl PH008831 [0,2,0,0,0,0|2,0,0]=4 234 B9R1.41 O=C(O)C1=NNC=C1I R432806 [0,2,0,0,0,0|2,0,0]=4 235 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [0,2,0,0,0,0|1,0,0]=3 236 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,2,0,0,0,0|1,0,1]=4 237 B9R1.12 N#C/C=C/C1=CC=CS1 S679046 [0,2,0,0,0,0|1,1,0]=4 238 B9R1.12 N#CCCC1=CC=CO1 T208493 [0,2,0,0,0,0|1,0,1]=4 239 B9R1.12 NCCCC1=CC=CO1 CBR00236 [0,2,0,0,0,0|1,0,1]=4 240 B9R1.12 S=C=NCC1=CC=CO1 CDS003797 [0,2,0,0,0,0|0,1,1]=4 241 B9R1.13 BrC(=CC1=CC=CO1)Br CFSS0001 [0,2,0,0,0,0|1,0,0]=3 242 B9R1.13 BrC(=CC1=CC=CS1)Br CFSS0002 [0,2,0,0,0,0|1,1,0]=4 243 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,2,0,0,0,0|0,0,0]=2 244 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [0,2,0,0,0,0|2,0,0]=4 245 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [0,2,0,0,0,0|2,0,0]=4 246 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,2,0,0,0,0|0,1,0]=3 247 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,2,0,0,0,0|2,0,0]=4 248 B9R1.13 O=C(O)CC1=CSC=N1 CDS019681 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.13 O=C(O)CC1=CSC=N1 OTV000637 [0,2,0,0,0,0|2,0,0]=4 250 B9R1.13 O=C(O)CC1=NC=CS1 CDS019262 [0,2,0,0,0,0|1,1,0]=4 251 B9R1.33 CC1=C(SC=C1)/C=N/N R128422 [0,2,0,0,0,0|1,1,0]=4 252 B9R1.14 C(=O)C1=CN=CN1CC CBR00006 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.27 CC1=C(N(N=C1)C)C=O CBR01828 [0,2,0,0,0,0|2,0,0]=4 254 B7R1.3 NC1=CC=CC=C1 S698326 [0,0,1,1,0,0|2,0,0]=4 255 B7R1.3 OC1=CC=NC=C1 CDS013613 [0,0,1,1,0,0|2,0,0]=4 256 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [0,0,1,1,0,0|1,0,1]=4 257 B7R1.3 [S-]C1=CC=CC=C1 S578991 [0,0,1,1,0,0|1,1,0]=4