0 B8R1.1 BrCC1=CN=C(Br)S1 24688 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.1 C#CC1=CSC(C)=N1 32023 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.1 CC1=CC(C=O)=CS1 P15425 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.1 CC1=CC=C(CN)S1 71266 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.1 CC1=CC=C(CO)S1 W10513 [0,0,0,0,0,0|0,0,2]=2 6 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.1 CC1=CN=C(CO)N1 P16461 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.1 CC1=CN=C(CO)S1 C73831 [0,0,0,0,0,0|1,0,2]=3 9 B8R1.1 CC1=CNC(C#N)=N1 O11258 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.1 CC1=CNC(C=O)=N1 23109 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.1 CC1=COC(C=O)=N1 P10997 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.1 CC1=CSC(CCl)=N1 W16105 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.1 CC1=CSC(CO)=N1 78422 [0,0,0,0,0,0|2,0,2]=4 15 B8R1.1 CC1=NC(C#N)=CS1 24243 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.1 CC1=NC(C=O)=NO1 F13848 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.1 CC1=NC(CBr)=CS1 C76311 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.1 CC1=NC(CO)=CN1 22905 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.1 CC1=NC=C(C#N)S1 F13465 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.1 CC1=NC=C(C=O)O1 C10143 [0,0,0,0,0,0|1,1,0]=2 21 B8R1.1 CC1=NC=C(CBr)S1 F16665 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.1 CC1=NC=C(CN)S1 72160 [0,0,0,0,0,0|2,0,1]=3 23 B8R1.1 CC1=NC=C(CN)S1 F14010 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.1 CC1=NN=C(C=O)N1 AC2083 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.1 CC1=NN=C(C=O)S1 Y10085 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.1 CC1=NN=C(CN)S1 F30252 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.1 CC1=NN=C(CO)S1 F13044 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.1 CCC1=CC=C(C)O1 A12137 [0,0,0,0,0,0|1,1,1]=3 29 B8R1.1 CCC1=CN=C(N)S1 84403 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.1 CN1C=CC(C#N)=N1 35174 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.1 CN1C=CC(CCl)=N1 33393 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.1 CN1C=NC(C=O)=N1 D82935 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.1 CN1N=NC(C=O)=N1 AC1629 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.1 CNC1=NN=C(C)S1 71271 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.1 COC1=NC=C(Br)S1 78090 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.1 CSC1=CN=C(N)S1 C77378 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.1 CSC1=NN=C(C)S1 D80857 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.1 N#CC1=CC=C(Br)N1 D82532 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.1 N#CC1=CC=C(Br)O1 C75300 [0,0,0,0,0,0|2,1,1]=4 41 B8R1.1 N#CC1=CC=C(F)S1 37626 [0,0,0,0,0,0|2,0,1]=3 42 B8R1.1 N#CC1=CC=C(I)S1 C73627 [0,0,0,0,0,0|2,0,1]=3 43 B8R1.1 N#CC1=CC=C(N)S1 53143 [0,0,0,0,0,0|2,0,1]=3 44 B8R1.1 N#CC1=NC=C(Br)S1 P11608 [0,0,0,0,0,0|3,0,1]=4 45 B8R1.1 NCC1=CC=C(Br)S1 P15264 [0,0,0,0,0,0|2,0,1]=3 46 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [0,0,0,0,0,0|2,0,1]=3 47 B8R1.1 NCC1=CN=C(Br)S1 C13963 [0,0,0,0,0,0|3,0,1]=4 48 B8R1.1 NCC1=CN=C(Br)S1 S11077 [0,0,0,0,0,0|3,0,1]=4 49 B8R1.1 NCC1=NC=C(Br)S1 37716 [0,0,0,0,0,0|3,0,1]=4 50 B8R1.1 O=CC1=CC(Br)=NO1 69281 [0,0,0,0,0,0|4,0,0]=4 51 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.1 O=CC1=CC=C(Br)N1 O11353 [0,0,0,0,0,0|2,0,0]=2 53 B8R1.1 O=CC1=CC=C(Cl)N1 D95169 [0,0,0,0,0,0|2,0,0]=2 54 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.1 O=CC1=COC(Br)=N1 AT11059 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.1 O=CC1=CSC(Cl)=N1 25211 [0,0,0,0,0,0|3,0,0]=3 59 B8R1.1 O=CC1=NC=C(Cl)S1 38230 [0,0,0,0,0,0|2,0,0]=2 60 B8R1.1 O=CC1=NN=C(Cl)S1 Y11504 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.1 OCC1=NC=C(Br)S1 37717 [0,0,0,0,0,0|2,0,2]=4 62 B8R1.1 OCC1=NC=C(Cl)S1 P11456 [0,0,0,0,0,0|2,0,2]=4 63 B7R1.1 BrCC1=NC=CS1 73557 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.1 C=CC1=CC=CS1 C10114 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.1 C=CC1=CN=CN1 D82417 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.1 C=CC1=NNC=C1 P13173 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.1 CNC1=NC=CS1 26158 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.1 ClCC1=NC=CS1 BL005472 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.1 NCC1=CN=CS1 24148 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 NNC1=NC=CS1 C74550 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,0,0,0,0,0|0,1,0]=2 74 B7R1.1 O=CC1=CC=NS1 62852 [1,0,0,0,0,0|1,0,0]=2 75 B7R1.1 O=CC1=CCC=C1 77835 [1,0,0,0,0,0|1,0,1]=3 76 B7R1.1 O=CC1=CCCC1 26227 [1,0,0,0,0,0|1,0,2]=4 77 B7R1.1 O=CC1=CCCO1 D79895 [1,0,0,0,0,0|0,1,2]=4 78 B7R1.1 O=CC1=CN=CO1 39069 [1,0,0,0,0,0|1,1,0]=3 79 B7R1.1 O=CC1=CNN=N1 F13257 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 O=CC1=CON=C1 95893 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.1 O=CC1=NOC=C1 P10400 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.1 OCC1=CC=NS1 53001 [1,0,0,0,0,0|1,0,2]=4 83 B7R1.2 CC1=CC(=O)CO1 Y10351 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.2 CC1=CC=C(Br)O1 C71939 [1,0,0,0,0,0|1,1,0]=3 85 B7R1.2 CC1=CN=C(N)O1 80158 [1,0,0,0,0,0|2,1,0]=4 86 B7R1.2 CC1=CN=C(N)S1 C13827 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.2 CC1=CNC(=O)N1 O11257 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.2 CC1=CNC(=O)S1 C90545 [1,0,0,0,0,0|1,0,0]=2 89 B7R1.2 CC1=COC(Br)=N1 S10976 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.2 CC1=COC(S)=N1 W16843 [1,0,0,0,0,0|2,1,0]=4 91 B7R1.2 CC1=CSC(Br)=C1 C15930 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.2 CC1=CSC(C)=C1 O10605 [1,0,0,0,0,0|2,0,1]=4 93 B7R1.2 CC1=CSC(I)=N1 W17362 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.2 CC1=NC(=O)NN1 79696 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.2 CC1=NC=C(Br)S1 29668 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.2 CC1=NC=C(N)S1 80222 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.2 CN1C=CC(N)=C1 O10425 [1,0,0,0,0,0|3,0,0]=4 98 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,0,0,0|0,1,1]=3 99 B7R1.2 ClC1=CN=C(Cl)S1 P13000 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.2 NC1=CN=C(Br)S1 I11438 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.2 NC1=NC=C(F)S1 39196 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.2 O=C1C=C[C@@H](O)O1 F11119 [1,0,0,0,0,0|1,1,1]=4 103 B7R1.2 O=C1C=C[C@H](Br)O1 D96050 [1,0,0,0,0,0|1,1,1]=4 104 B7R1.2 OC1=CC=C(Br)S1 C72253 [1,0,0,0,0,0|1,0,1]=3 105 B9R1.7 CC1=CC=C(CCN)S1 29986 [0,1,0,0,0,0|1,0,1]=3 106 B9R1.7 CC1=CC=C(CCO)O1 F16227 [0,1,0,0,0,0|0,1,2]=4 107 B9R1.7 N#CCC1=CC=C(Br)S1 C10185 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.21 C#CC1=CSC(C=O)=C1 A12932 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.21 CCC1=CSC(C=O)=N1 H10618 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.21 CCC1=NC=C(C=O)N1 AT15333 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.21 CCC1=NC=C(C=O)S1 O10772 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.21 CCC1=NOC(C=O)=C1 D79227 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.21 CCN1C=NC(C=O)=C1 AT15572 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.21 CSC1=CC=C(CO)O1 D93647 [0,1,0,0,0,0|0,1,2]=4 115 B9R1.21 N#CC1=CC=C(C#N)S1 A11055 [0,1,0,0,0,0|1,0,2]=4 116 B9R1.21 N#CC1=CC=C(CBr)O1 D94913 [0,1,0,0,0,0|1,1,1]=4 117 B9R1.21 N#CC1=CC=C(CBr)S1 26290 [0,1,0,0,0,0|1,0,1]=3 118 B9R1.21 N#CC1=CC=C(CN)O1 AT17204 [0,1,0,0,0,0|1,1,1]=4 119 B9R1.21 N#CC1=CC=C(CN)S1 AB1094 [0,1,0,0,0,0|1,0,1]=3 120 B9R1.21 O=CC1=CC=C(CBr)O1 N16894 [0,1,0,0,0,0|0,1,0]=2 121 B9R1.21 O=CC1=CC=C(CO)N1 O11303 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.21 O=CC1=CSC(C=O)=C1 O12151 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.22 CC1=C(C=O)N=C(Br)O1 D97290 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.22 CC1=C(C=O)N=C(N)S1 C75286 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.22 CC1=C(C=O)SC(Br)=N1 C77197 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.22 CC1=CC(N)=C(C#N)S1 50003 [0,1,0,0,0,0|1,0,1]=3 127 B9R1.22 CC1=NC(Br)=C(CBr)S1 C73419 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,1,0,0,0,0|1,0,2]=4 130 B9R1.22 CN1C=C(Br)N=C1C=O W16940 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.22 COC1=C(Br)C=C(Br)S1 95246 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.22 N#CC1=C(N)C=C(Br)S1 51970 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.22 O=CC1=C(Cl)NC(=O)S1 F20156 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.22 O=CC1=C(Cl)SC(Cl)=C1 26316 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.23 CC1=C(C)SC(CO)=N1 S11102 [0,1,0,0,0,0|1,0,2]=4 136 B9R1.23 O=CC1=CC(Br)=C(Br)S1 D77762 [0,1,0,0,0,0|1,0,0]=2 137 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.35 CC(=O)C1=CSC(Br)=N1 51523 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.35 CC(=O)C1=CSC(N)=N1 35110 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.35 CC(=O)N1C=CC(=O)N1 C76740 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,1,0,0,0,0|1,1,0]=3 156 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.35 CC1=NC(C(N)=O)=CS1 F19208 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.35 CC1=NC(C(N)=S)=CS1 58591 [0,1,0,0,0,0|2,1,0]=4 161 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,1,0,0,0,0|1,1,0]=3 162 B9R1.35 CC1=NN=C(C(=O)O)S1 I11693 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.35 CC1=NN=C(C(=O)[O-])S1 I10757 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.35 CC1=NOC(C(=O)[O-])=N1 80103 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.35 CN1C=CC(C(N)=O)=N1 Y10580 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.35 CN1C=NC(C(=O)O)=N1 72561 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.35 FC(F)C1=CC=C(Br)S1 W16588 [0,1,0,0,0,0|2,0,1]=4 169 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,1,0,0,0,0|1,0,0]=2 173 B9R1.35 NC(=O)C1=CN=C(Br)S1 S10763 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.35 NC(=O)C1=COC(Cl)=N1 D94445 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.35 NC(=O)C1=NC(Br)=CN1 D94566 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.35 NC(=O)C1=NN=C(Cl)S1 72503 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,1,0,0,0,0|1,0,0]=2 187 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 AC1555 [0,1,0,0,0,0|2,1,0]=4 194 B9R1.35 O=[N+]([O-])C1=NC=C(Br)S1 C73532 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.132 CC1=C(C=O)N=CN1C 25051 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.132 CC1=CNC(C=O)=C1C 39169 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.132 CC1=CSC(C=O)=C1Cl W10338 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.132 CC1=NC=C(C=O)N1C C15385 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.132 CN1C(Br)=CC=C1C=O O11356 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.132 CN1C(Br)=CN=C1C=O P17173 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.132 CN1N=CC(C=O)=C1Cl F20208 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.132 O=CC1=C(Br)C(Br)=CS1 C10593 [0,1,0,0,0,0|3,0,0]=4 203 B7R0.4 C\C=C/C=C/C(=O)O D86563 [0,0,1,0,0,0|2,1,0]=4 204 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [0,0,0,0,0,1|2,0,1]=4 207 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [0,0,0,0,0,1|2,0,0]=3 208 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [0,0,0,0,0,1|2,0,1]=4 209 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [0,0,0,0,0,1|2,0,1]=4 210 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [0,0,0,0,0,1|3,0,0]=4 211 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [0,0,0,0,0,1|2,0,1]=4 212 B9R1.1 CC1=NC=C(CN)C=C1 72232 [0,0,0,0,0,1|2,0,1]=4 213 B9R1.1 CC1=NN=C(C#N)C=C1 37499 [0,0,0,0,0,1|2,0,1]=4 214 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [0,0,0,0,0,1|1,0,2]=4 215 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [0,0,0,0,0,1|2,0,0]=3 217 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [0,0,0,0,0,1|2,0,0]=3 218 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [0,0,0,0,0,1|3,0,0]=4 220 B9R1.1 O=CC1=NC=C(Cl)C=N1 P10946 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [0,0,0,0,0,1|2,0,0]=3 222 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [0,0,0,0,0,1|2,0,0]=3 223 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [0,0,0,0,0,1|2,0,0]=3 224 B9R1.2 C=CC1=CC(Br)=CN=C1 50995 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.2 C=CC1=CC(Br)=NC=C1 60113 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [0,0,0,0,0,1|2,0,0]=3 227 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [0,0,0,0,0,1|2,0,0]=3 228 B9R1.2 C=CC1=CC=CC(Br)=N1 27481 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [0,0,0,0,0,1|2,0,0]=3 230 B9R1.2 C=CC1=NC=CC(Br)=C1 C75345 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.2 C=CC1=NC=CC(Cl)=C1 C77362 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.2 C=CC1=NC=CC(N)=C1 D82535 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.2 CC1=CC(C#N)=CN=C1 71242 [0,0,0,0,0,1|2,0,1]=4 234 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [0,0,0,0,0,1|2,0,1]=4 235 B9R1.2 CC1=CC(CN)=NC=C1 72801 [0,0,0,0,0,1|2,0,1]=4 236 B9R1.2 CC1=CC(CN)=NC=C1 78899 [0,0,0,0,0,1|2,0,1]=4 237 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [0,0,0,0,0,1|2,0,1]=4 239 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.2 CC1=CC=NC(C#N)=N1 20318 [0,0,0,0,0,1|2,0,1]=4 241 B9R1.2 CC1=CC=NC(CN)=N1 72797 [0,0,0,0,0,1|2,0,1]=4 242 B9R1.2 CC1=CC=NC(CO)=N1 38635 [0,0,0,0,0,1|1,0,2]=4 243 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [0,0,0,0,0,1|2,0,1]=4 244 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [0,0,0,0,0,1|1,0,0]=2 245 B9R1.2 CC1=CN=CC(CN)=C1 72799 [0,0,0,0,0,1|2,0,1]=4 246 B9R1.2 CC1=NC=CC(CBr)=C1 D80184 [0,0,0,0,0,1|2,0,1]=4 247 B9R1.2 CC1=NC=CC(CN)=C1 72809 [0,0,0,0,0,1|2,0,1]=4 248 B9R1.2 CC1=NC=CC(CO)=N1 90609 [0,0,0,0,0,1|1,0,2]=4 249 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [0,0,0,0,0,1|2,0,1]=4 250 B9R1.2 CNC1=NC(C)=CN=C1 74811 [0,0,0,0,0,1|3,0,0]=4 251 B9R1.2 COC1=NC(C)=CC=N1 C72586 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.2 COC1=NC(C)=NC=C1 73836 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [0,0,0,0,0,1|2,0,0]=3 254 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [0,0,0,0,0,1|2,0,0]=3 255 B9R1.2 O=CC1=CC(Br)=NC=N1 D70857 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [0,0,0,0,0,1|2,0,0]=3 257 B9R1.2 O=CC1=CC=NC(Cl)=N1 P10948 [0,0,0,0,0,1|2,0,0]=3 258 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [0,0,0,0,0,1|2,0,0]=3 259 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [0,0,0,0,0,1|3,0,0]=4 260 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [0,0,0,0,0,1|2,0,0]=3 261 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [0,0,0,0,0,1|3,0,0]=4 262 B6R0.4 COC=CC(=O)O D97266 [1,0,1,0,0,0|1,1,0]=4 263 B6R1.2 CC1=CC=CN1 23756 [2,0,0,0,0,0|1,0,0]=3 264 B6R1.2 CC1=CNC=C1 59365 [2,0,0,0,0,0|2,0,0]=4 265 B6R1.2 CC1=COC=C1 W18310 [2,0,0,0,0,0|2,0,0]=4 266 B6R1.2 CC1=NOC=C1 35767 [2,0,0,0,0,0|2,0,0]=4 267 B6R1.2 NC1=CC=NS1 S11666 [2,0,0,0,0,0|2,0,0]=4 268 B6R1.2 NC1=CN=CS1 52083 [2,0,0,0,0,0|2,0,0]=4 269 B6R1.2 O=C1C=CCN1 AC1277 [2,0,0,0,0,0|1,0,1]=4 270 B6R1.2 OC1=NC=CS1 25638 [2,0,0,0,0,0|1,0,1]=4 271 B6R1.2 SC1=CC=CS1 23061 [2,0,0,0,0,0|0,1,0]=3 272 B8R1.7 CC(=O)C1=CC=NO1 I11392 [1,1,0,0,0,0|1,1,0]=4 273 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [1,1,0,0,0,0|1,1,0]=4 274 B8R1.7 CC(=O)C1=CC=NS1 62850 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.7 CC(=O)C1=CN=CS1 66660 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.7 CC(=O)C1=CN=NS1 66662 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.7 CC(=O)C1=NC=CO1 33464 [1,1,0,0,0,0|1,1,0]=4 278 B8R1.7 CC(=O)C1=NOC=C1 33729 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [1,1,0,0,0,0|1,0,1]=4 280 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [1,1,0,0,0,0|1,0,1]=4 281 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [1,1,0,0,0,0|1,0,1]=4 282 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [1,1,0,0,0,0|1,0,1]=4 283 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [1,1,0,0,0,0|1,0,1]=4 284 B8R1.7 N=C(N)C1=CC=CS1 C15965 [1,1,0,0,0,0|1,0,0]=3 285 B8R1.7 NC(=O)C1=CC=NO1 F30843 [1,1,0,0,0,0|1,1,0]=4 286 B8R1.7 NC(=O)C1=CN=CO1 78451 [1,1,0,0,0,0|1,1,0]=4 287 B8R1.7 NC(=O)C1=CN=CS1 D79735 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.7 NC(=O)C1=COC=N1 35847 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.7 NC(=O)C1=NC=CS1 A10602 [1,1,0,0,0,0|1,0,0]=3 290 B8R1.7 NC(=O)C1=NSC=C1 F14137 [1,1,0,0,0,0|2,0,0]=4 291 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [1,1,0,0,0,0|2,0,0]=4 292 B8R1.7 O=C(O)C1=NSC=C1 83207 [1,1,0,0,0,0|2,0,0]=4 293 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.11 CC1=C(C=O)N=CS1 F12255 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [1,1,0,0,0,0|1,1,0]=4 296 B8R1.11 CC1=CON=C1C=O W10337 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.11 CC1=CSC=C1C=O P16095 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.11 N#CC1=C(F)C=CS1 D76349 [1,1,0,0,0,0|1,0,1]=4 299 B8R1.11 N#CC1=C(N)C=CS1 50755 [1,1,0,0,0,0|1,0,1]=4 300 B8R1.11 NC1=C(CO)SC=C1 70866 [1,1,0,0,0,0|0,0,2]=4 301 B8R1.11 NCC1=C(Cl)C=CS1 38405 [1,1,0,0,0,0|1,0,1]=4 302 B8R1.11 O=CC1=C(Br)C=CN1 P11326 [1,1,0,0,0,0|1,0,0]=3 303 B8R1.11 O=CC1=C(Br)C=NN1 F13682 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.11 O=CC1=C(Br)N=CS1 88252 [1,1,0,0,0,0|1,0,0]=3 305 B8R1.11 O=CC1=C(Br)NC=N1 C75380 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.11 O=CC1=C(Br)SC=C1 57105 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.11 O=CC1=C(Cl)C=NN1 D86408 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.11 O=CC1=C(Cl)N=CS1 27650 [1,1,0,0,0,0|1,0,0]=3 309 B8R1.11 O=CC1=C(Cl)SC=C1 A11316 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.11 O=CC1=C(I)SC=C1 C73596 [1,1,0,0,0,0|2,0,0]=4 311 B8R1.11 O=CC1=NSC=C1Br AT21087 [1,1,0,0,0,0|2,0,0]=4 312 B8R1.18 CC1=C(Br)N=C(Br)S1 31991 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.18 CC1=C(Br)N=C(N)S1 F30514 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [1,1,0,0,0,0|1,0,1]=4 315 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [1,1,0,0,0,0|0,0,1]=3 316 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [1,1,0,0,0,0|0,0,1]=3 317 B8R1.18 CC1=CC(N)=C(C)S1 86689 [1,1,0,0,0,0|0,0,1]=3 318 B8R1.18 CC1=NC(Br)=C(C)S1 C77077 [1,1,0,0,0,0|1,0,1]=4 319 B8R1.18 CC1=NC(C)=C(Br)S1 C15490 [1,1,0,0,0,0|2,0,0]=4 320 B8R1.18 CN1NC(=O)C=C1N P19144 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.18 ClC1=C(Cl)SC(Br)=C1 36537 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.18 ClC1=C(I)SC(I)=C1 P18217 [1,1,0,0,0,0|2,0,0]=4 323 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.3 C#CC1=CN=C(C=O)C=C1 51748 [0,1,0,0,0,1|1,0,1]=4 326 B10R1.3 C=CC1=CC=C(CO)C=C1 F14590 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.3 CNC1=CC=C(C=O)C=C1 D93507 [0,1,0,0,0,1|1,0,0]=3 328 B10R1.3 CNC1=NC=C(C=O)C=C1 P10732 [0,1,0,0,0,1|1,0,0]=3 329 B10R1.3 COC1=CN=C(C=O)C=N1 P10975 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.3 CSC1=NC=C(C=O)C=N1 P10273 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.3 N#CC1=CN=C(C=O)C=C1 26613 [0,1,0,0,0,1|1,0,1]=4 332 B10R1.3 O=CC1=CC=C(CCl)C=C1 CL9238 [0,1,0,0,0,1|1,0,0]=3 333 B10R1.3 O=CC1=CN=C(C=O)C=C1 D80964 [0,1,0,0,0,1|1,0,1]=4 334 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,1,0,0,0,1|2,0,0]=4 342 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,1,0,0,0,1|2,0,0]=4 343 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,1,0,0,0,1|1,0,1]=4 344 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 C16730 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.25 CC1=C(C=O)C=CC(F)=N1 C76919 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.25 CC1=CC(Br)=NC=C1C=O C77172 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.25 CC1=CC(C)=C(C=O)C=N1 C14259 [0,1,0,0,0,1|1,0,0]=3 355 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 D82345 [0,1,0,0,0,1|1,0,0]=3 356 B10R1.25 CC1=NC(N)=C(C=O)C=N1 66180 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.25 NC1=C(C=O)C=CC(F)=C1 34566 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.25 NC1=CC(Br)=C(C=O)C=C1 C16178 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.25 NC1=CC(Br)=CN=C1C=O P13238 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.25 NC1=CC(Cl)=NC=C1C=O 22929 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.25 NC1=CC(F)=C(C=O)C=C1 AC6806 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.25 NC1=CC(F)=CN=C1C=O D83274 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.25 NC1=CC(N)=C(C=O)C=C1 C10737 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.25 O=CC1=C(Br)C=C(Br)C=N1 W15435 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.25 O=CC1=C(Br)C=C(Cl)C=N1 BL010229 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.25 O=CC1=C(Br)C=C(F)C=N1 58153 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 67919 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=N1 80307 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 26730 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.25 O=CC1=C(F)C=C(F)C=N1 F11044 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.25 O=CC1=C(F)N=C(Br)C=C1 74727 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.25 O=CC1=C(I)C=C(F)C=C1 CL9496 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.25 O=CC1=C(O)N=C(Br)C=C1 D80553 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.25 O=CC1=CC=C(Cl)N=C1Br C71249 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.25 O=CC1=CC=C(F)N=C1Cl F12185 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.25 O=CC1=CN=C(Br)C=C1Cl CL0319 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.176 CC1=C(Br)C=C(C=O)N=C1 CS1689 [0,1,0,0,0,1|1,0,0]=3 378 B10R1.176 CC1=C(F)C=CC(C=O)=N1 P10585 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.176 CC1=C(O)C=C(C=O)C=C1 W16814 [0,1,0,0,0,1|1,0,0]=3 380 B10R1.176 CC1=CC(C=O)=CN=C1Br 78107 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.176 CN1C=C(C=O)C=CC1=O H11166 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 A12705 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.176 O=CC1=CC(F)=C(I)C=C1 23742 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.176 O=CC1=CC(I)=C(F)C=C1 34606 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 34572 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.176 O=CC1=CC(O)=C(I)C=C1 62940 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.176 O=CC1=CC=C(Cl)C(Br)=N1 C14399 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 O11553 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 97698 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.176 O=CC1=CN=C(Cl)C(F)=C1 C16801 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.176 O=CC1=NC(Cl)=C(Br)C=C1 32221 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.2 CC1=CC=NC(C=O)=C1Cl S10197 [0,1,0,0,0,1|1,0,0]=3 393 B10R1.2 NC1=C(Br)C=CC=C1C=O 36406 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.2 NC1=C(Br)C=NC=C1C=O C72169 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.2 NC1=C(C=O)C=CC=C1O D94436 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.2 NC1=C(Cl)C=NC=C1C=O 98150 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.2 O=CC1=C(F)C(Br)=NC=C1 BL009674 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.2 O=CC1=CC=CC(F)=C1I 34605 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.2 O=CC1=CC=NC(F)=C1Cl 91702 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.2 O=CC1=CN=CC(Br)=C1Cl 66142 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.2 O=CC1=CN=CC(Br)=C1O D82530 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.2 O=CC1=NC=CC(Cl)=C1Br P19340 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.8 CC1=CC(Br)=CC(C=O)=N1 D78899 [0,1,0,0,0,1|1,0,0]=3 404 B10R1.8 CC1=CC(C=O)=CC(C)=N1 85556 [0,1,0,0,0,1|1,0,0]=3 405 B10R1.8 CC1=CC(Cl)=CC(C=O)=C1 34582 [0,1,0,0,0,1|1,0,0]=3 406 B10R1.8 CC1=NC(C=O)=CC(Cl)=N1 59701 [0,1,0,0,0,1|1,0,0]=3 407 B10R1.8 O=CC1=CC(Cl)=NC(Cl)=C1 C71441 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.8 O=CC1=CC(I)=CC(Br)=C1 CL9323 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.8 O=CC1=CC(I)=CC(F)=C1 CL9234 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.8 O=CC1=CC(I)=CC(I)=C1 N16985 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.10 O=CCC1=CC=CC(Br)=C1 AB10311 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.10 O=CCC1=CC=CC(F)=C1 W16826 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.30 CC1=C(C=O)C=C(Cl)C=C1 CK2094 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.30 CC1=C(C=O)C=C(I)C=C1 F20710 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.30 CC1=CC(C=O)=C(I)C=C1 H10219 [0,1,0,0,0,1|1,0,0]=3 416 B10R1.30 CC1=CC=C(O)C(C=O)=N1 W11337 [0,1,0,0,0,1|1,0,0]=3 417 B10R1.30 CC1=CN=C(Cl)C(C=O)=C1 81874 [0,1,0,0,0,1|1,0,0]=3 418 B10R1.30 CC1=CNC(=O)C(C=O)=C1 O11471 [0,1,0,0,0,1|1,0,0]=3 419 B10R1.30 CC1=NC(C=O)=C(F)C=C1 P17355 [0,1,0,0,0,1|1,0,0]=3 420 B10R1.30 CC1=NC=C(Cl)C=C1C=O CL0290 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.30 NC1=C(C=O)C=C(F)C=C1 88468 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.30 NC1=C(C=O)N=C(Br)C=N1 27388 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.30 NC1=C(C=O)N=C(Cl)C=N1 C77004 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.30 NC1=CN=C(Br)C=C1C=O P19339 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.30 O=CC1=C(Br)C=NC(Cl)=C1 P11217 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.30 O=CC1=C(Br)C=NC(O)=C1 F30966 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.30 O=CC1=C(F)C=CC(Cl)=N1 C10107 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.30 O=CC1=C(I)C=CC(F)=C1 34607 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.30 O=CC1=CC(Br)=CNC1=O C71890 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.30 O=CC1=CC(Cl)=CN=C1Br 79175 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.30 O=CC1=CC(Cl)=NC=C1O 93891 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.30 O=CC1=CC(F)=CN=C1Cl 85374 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.30 O=CC1=NC(Cl)=CN=C1Cl P13243 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,1,0,0,0,1|1,0,0]=3 438 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,1,0,0,0,1|1,0,0]=3 446 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.113 CC1=CC(C(=N)N)=NC=C1 W12205 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.113 CC1=CC=CC(C(=N)N)=N1 W12204 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,1,0,0,0,1|1,0,0]=3 453 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 W17269 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.113 CC1=CC=NC(C(=N)N)=N1 P12879 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,1,0,0,0,1|1,0,0]=3 456 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,1,0,0,0,1|1,0,0]=3 457 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 24231 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.113 NC(=O)C1=NC(N)=NC=C1 C73521 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 W17831 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.172 C#CC1=CC=CC(C=O)=C1 F21254 [0,1,0,0,0,1|1,0,1]=4 475 B10R1.172 C=CC1=CC=CC(C=O)=C1 C15241 [0,1,0,0,0,1|1,0,1]=4 476 B10R1.172 C=CC1=CC=CC(C=O)=N1 W15331 [0,1,0,0,0,1|1,0,1]=4 477 B10R1.172 C=CC1=NC=CC(OC)=C1 52910 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.172 CCC1=CC=CC(C=O)=N1 87877 [0,1,0,0,0,1|1,0,0]=3 479 B10R1.172 CNC1=NC=CC(C=O)=N1 26519 [0,1,0,0,0,1|1,0,0]=3 480 B10R1.172 COC1=NC=CC(C=O)=N1 27203 [0,1,0,0,0,1|1,0,0]=3 481 B10R1.172 CSC1=NC(C=O)=CC=N1 26756 [0,1,0,0,0,1|1,0,0]=3 482 B10R1.172 N#CC1=CC(C=O)=CN=C1 P10440 [0,1,0,0,0,1|1,0,1]=4 483 B10R1.172 N#CC1=CC(C=O)=NC=C1 FD10588 [0,1,0,0,0,1|1,0,1]=4 484 B10R1.172 N#CC1=CC=CC(C=O)=N1 P10169 [0,1,0,0,0,1|1,0,1]=4 485 B10R1.172 N#CC1=NC=CC(C=O)=C1 P10358 [0,1,0,0,0,1|1,0,1]=4 486 B10R1.172 O=CC1=CC(CO)=CC=C1 N13346 [0,1,0,0,0,1|1,0,0]=3 487 B10R1.172 O=CC1=CC=CC(CF)=N1 C73928 [0,1,0,0,0,1|1,0,0]=3 488 B10R1.172 O=CC1=NC(CO)=CC=C1 78596 [0,1,0,0,0,1|1,0,0]=3 489 B10R1.14 CC1=CC=C(C(=O)NN)O1 79439 [0,2,0,0,0,0|0,1,0]=3 490 B10R1.14 CC1=NC(C(=O)NN)=CO1 D79715 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.14 CNC(=O)C1=CN=C(N)S1 C71570 [0,2,0,0,0,0|2,0,0]=4 492 B10R1.14 COC(=O)C1=CC(C)=CN1 F53538 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.14 COC(=O)C1=CC=C(Cl)O1 76672 [0,2,0,0,0,0|1,1,0]=4 494 B10R1.14 COC(=O)C1=CC=C(Cl)S1 O11960 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.14 COC(=O)C1=CC=C(I)S1 C76903 [0,2,0,0,0,0|1,0,0]=3 496 B10R1.14 COC(=O)C1=CC=C(N)N1 F14198 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.14 COC(=O)C1=CN(C)C=C1 W18273 [0,2,0,0,0,0|2,0,0]=4 498 B10R1.14 COC(=O)C1=CNC(C)=N1 C77526 [0,2,0,0,0,0|2,0,0]=4 499 B10R1.14 COC(=O)C1=COC(C)=C1 C15656 [0,2,0,0,0,0|2,0,0]=4 500 B10R1.14 COC(=O)C1=NC=C(Br)S1 P11750 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.14 COC(=O)C1=NC=C(C)S1 25239 [0,2,0,0,0,0|1,0,0]=3 502 B10R1.14 O=C(CBr)C1=CC=C(Br)O1 C90418 [0,2,0,0,0,0|1,1,0]=4 503 B10R1.16 CC1=CC=C(CCCN)S1 71973 [0,2,0,0,0,0|1,0,1]=4 504 B10R1.54 NC1=NC=C(CC(=O)O)S1 38971 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.54 O=C(O)CC1=CC=C(Br)S1 79437 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.96 O=CC1=NN(CCF)C=C1 AT14225 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.31 CC(C)C1=NC=C(C=O)S1 AT15085 [0,2,0,0,0,0|1,0,0]=3 508 B10R1.31 CC(C)N1C=CC(C=O)=N1 F14391 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.31 CCC1=NC(C(=O)O)=CS1 69872 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.31 CCC1=NC(C(=O)O)=CS1 C73183 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.31 CN(C)C1=CC=C(C=O)S1 C74250 [0,2,0,0,0,0|0,0,0]=2 512 B10R1.31 COC1=CC=C(C(=O)O)S1 31392 [0,2,0,0,0,0|0,0,0]=2 513 B10R1.31 COC1=CN=C(C(=O)O)O1 C75184 [0,2,0,0,0,0|1,1,0]=4 514 B10R1.31 N#CC1=CC=C(C(=O)O)N1 C16499 [0,2,0,0,0,0|1,0,1]=4 515 B10R1.31 N#CC1=CC=C(C(=O)O)O1 N12973 [0,2,0,0,0,0|0,1,1]=4 516 B10R1.31 N#CC1=CC=C(C(=O)O)S1 89049 [0,2,0,0,0,0|0,0,1]=3 517 B10R1.31 NCC1=CC=C([N+](=O)[O-])S1 31756 [0,2,0,0,0,0|1,0,0]=3 518 B10R1.31 O=C(O)C1=CSC(CO)=N1 W17565 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.31 O=CC1=NC=C(C(=O)O)S1 F14409 [0,2,0,0,0,0|1,0,1]=4 520 B10R1.35 CCC1=CC(N)=C(C#N)S1 51974 [0,2,0,0,0,0|1,0,1]=4 521 B10R1.35 CN1C=C(C=O)C=C1C#N W19143 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.34 CC1=C(Br)C(C)=C(C=O)N1 C77036 [0,2,0,0,0,0|1,0,0]=3 523 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,2,0,0,0,0|0,1,0]=3 524 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 83678 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.59 CC(=O)C1=C(C)N=C(Cl)S1 W17906 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 C74185 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.59 CC(=O)C1=NN(C)C=C1Cl E70434 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 D73863 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.59 CC1=CC(Br)=C(C(=O)O)S1 D95614 [0,2,0,0,0,0|0,0,0]=2 530 B10R1.59 CC1=CC(C(=O)Cl)=C(C)O1 F16072 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 F52431 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.59 CC1=CC(C(N)=O)=C(N)S1 C75414 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.59 CC1=CC(C)=C(C(=O)O)N1 61000 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.59 CC1=CN(C)N=C1C(=O)O 22968 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.59 CC1=NC(C(=O)O)=C(N)S1 C11013 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.59 CN1C=C(Cl)C(C(=O)O)=N1 57638 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 C10776 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 AC1879 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.59 NC(=O)C1=C(N)C=C(Br)S1 F30708 [0,2,0,0,0,0|1,0,0]=3 540 B10R1.59 O=C(O)C1=C(Br)C=C(Cl)S1 C10746 [0,2,0,0,0,0|1,0,0]=3 541 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 27825 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.59 O=C(O)C1=C(Cl)C=C(Br)S1 N12995 [0,2,0,0,0,0|1,0,0]=3 543 B10R1.59 O=C(O)C1=C(Cl)C=C(Cl)S1 F16141 [0,2,0,0,0,0|1,0,0]=3 544 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 O10304 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.58 CC(=O)C1=CC(Cl)=C(Br)S1 O10303 [0,2,0,0,0,0|1,0,0]=3 546 B10R1.58 CC(=O)C1=CC(Cl)=C(Cl)S1 C75701 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 63233 [0,2,0,0,0,0|1,0,1]=4 548 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 36278 [0,2,0,0,0,0|0,0,0]=2 549 B10R1.58 CC1=C(Br)SC(C(=O)O)=N1 F13815 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.58 CC1=C(Br)SC(C(=O)[O-])=N1 AT24928 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 F30544 [0,2,0,0,0,0|1,0,0]=3 552 B10R1.58 CC1=CC(C(=O)O)=CN1C 72960 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.58 CN1N=C(C(=O)O)C=C1Br 80200 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.58 CN1N=C(C(=O)O)C=C1Cl 80334 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.58 CN1N=C(C(=O)O)C=C1N 38065 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.58 NC(=O)C1=CC(Cl)=C(Cl)N1 C75354 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.58 O=C(O)C1=CC(Br)=C(Cl)S1 C16067 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.58 O=C(O)C1=CC(Cl)=C(Br)S1 C71923 [0,2,0,0,0,0|1,0,0]=3 559 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 W17455 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.55 CC1=CC=C(S(=O)(=O)Cl)O1 AT17332 [0,2,0,0,0,0|1,1,0]=4 561 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 71336 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.194 CC1=CC=C(C(=O)O)N1C D83409 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.194 CC1=CSC(C(=O)O)=C1C C77023 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.194 CC1=NC=C(C(=O)O)N1C F11120 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.194 CN1C(Br)=CC=C1C(=O)O 26338 [0,2,0,0,0,0|2,0,0]=4 566 B8R1.3 CC1=NC=C(I)C=C1 C10582 [0,0,1,1,0,0|2,0,0]=4 567 B8R1.3 SC1=CC=C(I)C=C1 F20637 [0,0,1,1,0,0|2,0,0]=4 568 B10R2.2 BrC1=CC2=C(SC=C2)S1 T70653 [0,1,0,1,0,0|2,0,0]=4