0 B7R1.1 BrCC1=CN=CS1 Y7777 [0,0,0,0,0,0|2,1,0]=3 1 B7R1.1 BrCC1=COC=N1 1429AA [0,0,0,0,0,0|3,0,0]=3 2 B7R1.1 BrCC1=NC=CN1 1423AC [0,0,0,0,0,0|3,0,0]=3 3 B7R1.1 CCC1=CC=NO1 3273AB [0,0,0,0,0,0|2,0,0]=2 4 B7R1.1 CCC1=CNC=N1 6226AL [0,0,0,0,0,0|3,0,0]=3 5 B7R1.1 CCC1=CNN=C1 5501AD [0,0,0,0,0,0|4,0,0]=4 6 B7R1.1 CCC1=NN=CO1 5828AA [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 CCC1=NNC=C1 6654AA [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CNC1=NC=CO1 6947AC [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 COC1=CC=CO1 2109AL [0,0,0,0,0,0|2,0,0]=2 10 B7R1.1 CSC1=CNC=N1 X6327 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 CSC1=NC=CO1 6777AD [0,0,0,0,0,0|3,0,0]=3 12 B7R1.1 ClCC1=CN=CO1 8892AA [0,0,0,0,0,0|2,0,0]=2 13 B7R1.1 ClCC1=COC=N1 0393AC [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 ClCC1=NC=CS1 1126AC [0,0,0,0,0,0|2,1,0]=3 15 B7R1.1 ClCC1=NC=CS1 W5535 [0,0,0,0,0,0|2,1,0]=3 16 B7R1.1 ClCC1=NN=CO1 1392AC [0,0,0,0,0,0|3,0,0]=3 17 B7R1.1 N#CC1=CN=CO1 X3473 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.1 N#CC1=COC=C1 0818AQ [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 N#CC1=CSC=N1 W3169 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.1 N#CC1=NC=CO1 0624AC [0,0,0,0,0,0|2,0,1]=3 21 B7R1.1 NCC1=CC=CN1 W7617 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.1 NCC1=CC=NN1 4193AH [0,0,0,0,0,0|3,0,0]=3 23 B7R1.1 NCC1=CNN=N1 0294AA [0,0,0,0,0,0|4,0,0]=4 24 B7R1.1 NCC1=CNN=N1 9846AH [0,0,0,0,0,0|4,0,0]=4 25 B7R1.1 NCC1=COC=C1 Y7389 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.1 NCC1=COC=C1 Y9148 [0,0,0,0,0,0|3,0,0]=3 27 B7R1.1 NCC1=COC=N1 Y1477 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.1 NCC1=CON=C1 3103AA [0,0,0,0,0,0|4,0,0]=4 29 B7R1.1 NCC1=CON=C1 8976AA [0,0,0,0,0,0|4,0,0]=4 30 B7R1.1 NCC1=CSC=C1 Z3907 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.1 NCC1=CSC=N1 0159AD [0,0,0,0,0,0|3,0,0]=3 32 B7R1.1 NCC1=NC=CN1 1371AB [0,0,0,0,0,0|3,0,0]=3 33 B7R1.1 NCC1=NC=CO1 0960AA [0,0,0,0,0,0|2,0,0]=2 34 B7R1.1 NCC1=NC=NN1 1729AJ [0,0,0,0,0,0|4,0,0]=4 35 B7R1.1 NCC1=NC=NN1 8323AH [0,0,0,0,0,0|4,0,0]=4 36 B7R1.1 NCC1=NOC=N1 1799AE [0,0,0,0,0,0|4,0,0]=4 37 B7R1.1 O=CC1=CC=C[Se]1 5634AL [0,0,0,0,0,0|0,1,2]=3 38 B7R1.1 O=CC1=NC=CO1 7478AE [0,0,0,0,0,0|1,0,2]=3 39 B7R1.1 OCC1=CC=NO1 6850AC [0,0,0,0,0,0|1,0,0]=1 40 B7R1.1 OCC1=NNC=C1 X6393 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.1 OCN1C=CN=C1 9540AF [0,0,0,0,0,0|3,0,0]=3 42 B6R1.2 BrC1=CC=NS1 7852AB [1,0,0,0,0,0|2,1,0]=4 43 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,0,0,0|1,0,2]=4 44 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,0,0,0|0,0,2]=3 45 B6R1.2 CC1=CNN=N1 W5081 [1,0,0,0,0,0|3,0,0]=4 46 B6R1.2 CC1=CON=C1 9884AB [1,0,0,0,0,0|3,0,0]=4 47 B6R1.2 CC1=CSN=N1 Y8051 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 CC1=NOC=C1 Z4582 [1,0,0,0,0,0|2,0,0]=3 49 B6R1.2 CC1=NON=C1 W4957 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 ClC1=NC=CS1 W5278 [1,0,0,0,0,0|2,1,0]=4 51 B6R1.2 IC1=CC=NN1 Z6311 [1,0,0,0,0,0|3,0,0]=4 52 B6R1.2 IC1=NC=CS1 X7912 [1,0,0,0,0,0|2,1,0]=4 53 B6R1.2 NC1=CN=CN1 5028AA [1,0,0,0,0,0|3,0,0]=4 54 B6R1.2 NC1=CNC=N1 B191 [1,0,0,0,0,0|3,0,0]=4 55 B6R1.2 NN1C=CC=N1 5269AB [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 O=C1C=CCN1 V5771 [1,0,0,0,0,0|1,0,2]=4 57 B6R1.2 O=C1C=CCS1 1311AQ [1,0,0,0,0,0|0,1,2]=4 58 B6R1.2 OC1=CSC=C1 8873AA [1,0,0,0,0,0|2,0,0]=3 59 B8R1.1 BrCC1=CC(Br)=NO1 4667AC [0,1,0,0,0,0|2,0,0]=3 60 B8R1.1 BrCC1=CSC(Br)=C1 Z2517 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.1 C#CC1=CC=C(Cl)S1 6808AA [0,1,0,0,0,0|1,1,1]=4 62 B8R1.1 CC1=CC(CBr)=NO1 Y7388 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.1 CC1=CC(CN)=NO1 8858AH [0,1,0,0,0,0|3,0,0]=4 64 B8R1.1 CC1=CC=C(C#N)O1 4023AD [0,1,0,0,0,0|1,0,1]=3 65 B8R1.1 CC1=CC=C(C=O)N1 3298AA [0,1,0,0,0,0|1,0,2]=4 66 B8R1.1 CC1=CC=C(CCl)S1 4231AB [0,1,0,0,0,0|1,1,0]=3 67 B8R1.1 CC1=CC=C(CN)S1 V3761 [0,1,0,0,0,0|1,1,0]=3 68 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,1,0,0,0,0|0,1,0]=2 69 B8R1.1 CC1=CNC(CN)=N1 3888AJ [0,1,0,0,0,0|3,0,0]=4 70 B8R1.1 CC1=CNC(CO)=C1 4693AD [0,1,0,0,0,0|1,0,0]=2 71 B8R1.1 CC1=CSC(C#N)=C1 8938AE [0,1,0,0,0,0|1,1,1]=4 72 B8R1.1 CC1=CSC(CN)=C1 Y6895 [0,1,0,0,0,0|1,1,0]=3 73 B8R1.1 CC1=NC(CCl)=CS1 2148AC [0,1,0,0,0,0|3,0,0]=4 74 B8R1.1 CC1=NC(CO)=NO1 8569AD [0,1,0,0,0,0|3,0,0]=4 75 B8R1.1 CC1=NC=C(CN)S1 9600AB [0,1,0,0,0,0|2,1,0]=4 76 B8R1.1 CC1=NC=C(CO)O1 8519AH [0,1,0,0,0,0|1,0,0]=2 77 B8R1.1 CC1=NN=C(CN)O1 8854AH [0,1,0,0,0,0|3,0,0]=4 78 B8R1.1 CC1=NOC(C#N)=C1 7530AE [0,1,0,0,0,0|2,0,1]=4 79 B8R1.1 CC1=NOC(C=O)=C1 Y9882 [0,1,0,0,0,0|1,0,2]=4 80 B8R1.1 CC1=NOC(CCl)=C1 5416AB [0,1,0,0,0,0|2,0,0]=3 81 B8R1.1 CC1=NOC(CN)=C1 0875AC [0,1,0,0,0,0|2,0,0]=3 82 B8R1.1 CC1=NOC(CN)=C1 Y7628 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.1 CC1=NOC(CN)=N1 8442AD [0,1,0,0,0,0|3,0,0]=4 84 B8R1.1 CCC1=CN=C(Br)S1 1608AJ [0,1,0,0,0,0|2,1,0]=4 85 B8R1.1 CCC1=CSC(Cl)=N1 V9898 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.1 CCC1=CSC(N)=N1 V5347 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.1 CCC1=NC(Br)=CS1 2688AJ [0,1,0,0,0,0|2,1,0]=4 88 B8R1.1 CCC1=NC=C(Br)S1 1720AA [0,1,0,0,0,0|2,1,0]=4 89 B8R1.1 CCC1=NN=C(O)O1 1883AE [0,1,0,0,0,0|3,0,0]=4 90 B8R1.1 CCC1=NOC(N)=C1 2151AC [0,1,0,0,0,0|3,0,0]=4 91 B8R1.1 CCN1C=C(Cl)C=N1 9799AC [0,1,0,0,0,0|3,0,0]=4 92 B8R1.1 CCN1C=C(I)C=N1 V3768 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.1 CCN1C=CC(Br)=N1 1225AD [0,1,0,0,0,0|3,0,0]=4 94 B8R1.1 CCN1C=CC(C)=N1 9609AD [0,1,0,0,0,0|3,0,0]=4 95 B8R1.1 CCN1C=CC(I)=N1 X6246 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.1 CN1C=CC(CCl)=N1 1837AF [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 CN1C=CC(CN)=N1 3880AJ [0,1,0,0,0,0|3,0,0]=4 98 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.1 CN1C=NC(CN)=C1 6782AA [0,1,0,0,0,0|3,0,0]=4 100 B8R1.1 CSC1=CC(Br)=CS1 Z0932 [0,1,0,0,0,0|2,1,0]=4 101 B8R1.1 CSC1=CC(C)=CS1 Z0195 [0,1,0,0,0,0|2,1,0]=4 102 B8R1.1 ClC1=NC(CBr)=CO1 Y5526 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.1 ClCC1=CC(Br)=CS1 8780AA [0,1,0,0,0,0|1,1,0]=3 104 B8R1.1 ClCC1=CSC(Br)=N1 7296AB [0,1,0,0,0,0|3,0,0]=4 105 B8R1.1 N#CC1=CC(Cl)=CS1 5194AC [0,1,0,0,0,0|1,1,1]=4 106 B8R1.1 N#CC1=CC(N)=CS1 1456AC [0,1,0,0,0,0|1,1,1]=4 107 B8R1.1 N#CC1=CC=C(F)S1 3613AB [0,1,0,0,0,0|1,1,1]=4 108 B8R1.1 N#CC1=CC=C(I)S1 6376AD [0,1,0,0,0,0|1,1,1]=4 109 B8R1.1 N#CC1=CC=C(I)S1 9875AA [0,1,0,0,0,0|1,1,1]=4 110 B8R1.1 NCC1=CC(Br)=CS1 W6461 [0,1,0,0,0,0|1,1,0]=3 111 B8R1.1 NCC1=CC(Br)=NO1 W9337 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.1 NCC1=CC=C(Br)S1 9162AB [0,1,0,0,0,0|1,1,0]=3 113 B8R1.1 NCC1=CC=C(Cl)S1 5432AE [0,1,0,0,0,0|1,1,0]=3 114 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 2847AB [0,1,0,0,0,0|1,0,2]=4 115 B8R1.1 O=C1NCC(CO)O1 V7609 [0,1,0,0,0,0|1,0,2]=4 116 B8R1.1 O=CC1=CC(Br)=NO1 W4557 [0,1,0,0,0,0|1,0,2]=4 117 B8R1.1 O=CC1=CC(Cl)=CS1 8472AB [0,1,0,0,0,0|0,1,2]=4 118 B8R1.1 OCC1=CC(Br)=CO1 8845AB [0,1,0,0,0,0|0,0,0]=1 119 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [0,1,0,0,0,0|0,0,0]=1 120 B8R1.1 OCC1=CC=C(F)S1 2754AC [0,1,0,0,0,0|0,1,0]=2 121 B8R1.1 OCC1=COC(Br)=N1 1802AA [0,1,0,0,0,0|2,0,0]=3 122 B8R1.1 OCC1=COC(Cl)=N1 Y5525 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.1 OCC1=CSC(Cl)=C1 1477AC [0,1,0,0,0,0|2,0,0]=3 124 B8R1.1 OCC1=CSC(Cl)=N1 7297AB [0,1,0,0,0,0|2,0,0]=3 125 B8R1.1 OCC1=NC(Br)=CS1 0499AB [0,1,0,0,0,0|1,1,0]=3 126 B8R1.1 OCC1=NC=C(Br)S1 5203AC [0,1,0,0,0,0|1,1,0]=3 127 B8R1.7 CC(=O)C1=CC=NO1 4156AC [0,1,0,0,0,0|1,0,2]=4 128 B8R1.7 CC(=O)C1=NC=CO1 W8389 [0,1,0,0,0,0|1,0,2]=4 129 B8R1.7 CC(C)C1=NC=CS1 V3543 [0,1,0,0,0,0|2,1,0]=4 130 B8R1.7 CC(N)C1=CC=CS1 9580AB [0,1,0,0,0,0|1,1,0]=3 131 B8R1.7 CC(N)C1=CSC=C1 0073AD [0,1,0,0,0,0|3,0,0]=4 132 B8R1.7 CC(N)C1=CSC=N1 4743AH [0,1,0,0,0,0|3,0,0]=4 133 B8R1.7 CC(O)C1=CC=CN1 Z2357 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.7 CC(O)C1=CC=CO1 0311AQ [0,1,0,0,0,0|0,0,0]=1 135 B8R1.7 CC(O)C1=COC=C1 3660AD [0,1,0,0,0,0|2,0,0]=3 136 B8R1.7 FC(F)N1C=CC=N1 5122AC [0,1,0,0,0,0|3,0,0]=4 137 B8R1.7 NC(=O)C1=CC=CN1 V6031 [0,1,0,0,0,0|1,0,2]=4 138 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [0,1,0,0,0,0|1,0,2]=4 139 B8R1.7 NC(=S)C1=CN=CO1 Y4507 [0,1,0,0,0,0|1,1,1]=4 140 B8R1.7 NC(=S)C1=NC=CO1 4442AJ [0,1,0,0,0,0|1,1,1]=4 141 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,1,0,0,0,0|1,0,1]=3 142 B8R1.7 O=C(O)C1=NSC=C1 6302AB [0,1,0,0,0,0|2,0,1]=4 143 B8R1.7 O=C(O)C1C=CCO1 1916AL [0,1,0,0,0,0|0,0,3]=4 144 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.8 BrCCC1=CC=CS1 Z5496 [0,1,0,0,0,0|1,1,0]=3 146 B8R1.8 C=CCN1C=CC=N1 9666AH [0,1,0,0,0,0|3,0,0]=4 147 B8R1.8 CCCC1=CC=CO1 Z5525 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.8 CCCC1=CSC=C1 Z5466 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.8 CCCC1=NN=CO1 5829AA [0,1,0,0,0,0|3,0,0]=4 150 B8R1.8 CCNC1=CC=CS1 W4294 [0,1,0,0,0,0|1,1,0]=3 151 B8R1.8 CCNC1=NC=CS1 4125AJ [0,1,0,0,0,0|2,1,0]=4 152 B8R1.8 CNCC1=CC=CO1 7008AC [0,1,0,0,0,0|1,0,0]=2 153 B8R1.8 CNCC1=CC=NN1 0420AC [0,1,0,0,0,0|3,0,0]=4 154 B8R1.8 CNCC1=CC=NO1 4172AJ [0,1,0,0,0,0|2,0,0]=3 155 B8R1.8 CNCC1=CN=CS1 Z3350 [0,1,0,0,0,0|2,1,0]=4 156 B8R1.8 CNCC1=CSC=N1 3622AA [0,1,0,0,0,0|3,0,0]=4 157 B8R1.8 CNCC1=NC=CN1 4097AE [0,1,0,0,0,0|3,0,0]=4 158 B8R1.8 CNCC1=NC=CS1 4356AD [0,1,0,0,0,0|2,1,0]=4 159 B8R1.8 CNCC1=NOC=C1 4335AJ [0,1,0,0,0,0|3,0,0]=4 160 B8R1.8 CNCC1=NOC=C1 7285AH [0,1,0,0,0,0|3,0,0]=4 161 B8R1.8 ClCCC1=CNC=N1 X4176 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.8 N#CCC1=NC=CS1 4664AJ [0,1,0,0,0,0|2,1,0]=4 163 B8R1.8 N#CCC1=NNC=C1 Z1629 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.8 N#CCN1C=CC=N1 9014AC [0,1,0,0,0,0|3,0,0]=4 165 B8R1.8 NCCC1=CC=CN1 1070AJ [0,1,0,0,0,0|2,0,0]=3 166 B8R1.8 NCCC1=CSC=C1 8829AB [0,1,0,0,0,0|3,0,0]=4 167 B8R1.8 NCCC1=NC=CN1 9985AA [0,1,0,0,0,0|3,0,0]=4 168 B8R1.8 NCCC1=NC=CS1 5806AE [0,1,0,0,0,0|2,1,0]=4 169 B8R1.8 NCCN1C=CC=C1 3045AB [0,1,0,0,0,0|3,0,0]=4 170 B8R1.8 OCCC1=CON=C1 4140AC [0,1,0,0,0,0|3,0,0]=4 171 B8R1.8 OCCN1C=CC=C1 4278AL [0,1,0,0,0,0|2,0,0]=3 172 B8R1.8 O\N=C\C1=NC=CN1 3423AD [0,1,0,0,0,0|2,0,1]=4 173 B8R1.11 CC1=C(C=O)OC=C1 Y8751 [0,1,0,0,0,0|0,0,2]=3 174 B8R1.11 CC1=C(C=O)OC=N1 5034AD [0,1,0,0,0,0|1,0,2]=4 175 B8R1.11 CC1=C(CN)SC=N1 3343AC [0,1,0,0,0,0|2,1,0]=4 176 B8R1.11 CC1=C(CO)C=CO1 8108AB [0,1,0,0,0,0|2,0,0]=3 177 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,1,0,0,0,0|0,0,0]=1 178 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,1,0,0,0,0|0,1,0]=2 179 B8R1.11 CC1=C(CO)SN=N1 W3555 [0,1,0,0,0,0|2,1,0]=4 180 B8R1.11 CCC1=NNC=C1I 2420AL [0,1,0,0,0,0|3,0,0]=4 181 B8R1.11 CCN1N=CC=C1Br 5279AA [0,1,0,0,0,0|3,0,0]=4 182 B8R1.11 CCN1N=CC=C1C 3292AE [0,1,0,0,0,0|3,0,0]=4 183 B8R1.11 CCN1N=CC=C1I V2890 [0,1,0,0,0,0|3,0,0]=4 184 B8R1.11 CN1C=CC=C1CO 7329AB [0,1,0,0,0,0|1,0,0]=2 185 B8R1.11 CN1C=CN=C1CN 7571AB [0,1,0,0,0,0|3,0,0]=4 186 B8R1.11 CN1C=CN=C1CN 8167AA [0,1,0,0,0,0|3,0,0]=4 187 B8R1.11 CN1C=NN=C1CO W7249 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.11 CN1N=CC=C1CN 0380AD [0,1,0,0,0,0|3,0,0]=4 189 B8R1.11 CN1N=CN=C1CO 5420AC [0,1,0,0,0,0|3,0,0]=4 190 B8R1.11 CSC1=C(Br)C=CS1 Z0767 [0,1,0,0,0,0|2,1,0]=4 191 B8R1.11 N#CC1=C(Br)C=CS1 Y5323 [0,1,0,0,0,0|1,1,1]=4 192 B8R1.11 N#CC1=C(N)C=CS1 4387AA [0,1,0,0,0,0|1,1,1]=4 193 B8R1.11 N#CC1=C(N)C=CS1 Y9485 [0,1,0,0,0,0|1,1,1]=4 194 B8R1.11 NC1=C(C=O)SC=C1 8259AB [0,1,0,0,0,0|0,1,2]=4 195 B8R1.11 NCC1=C(Br)C=CS1 4220AA [0,1,0,0,0,0|1,1,0]=3 196 B8R1.11 O=CC1=C(Br)C=CN1 5568AB [0,1,0,0,0,0|1,0,2]=4 197 B8R1.11 OCC1=C(Cl)C=CS1 6537AD [0,1,0,0,0,0|0,1,0]=2 198 B6R0.6 CC=C=CCCO 1076AQ [0,0,1,0,0,0|1,0,2]=4 199 B6R0.6 CCC\C=C/CO 7423AL [0,0,1,0,0,0|1,0,2]=4 200 B8R1.2 BrCC1=CC=NC=C1 V2331 [0,0,0,0,0,1|2,0,0]=3 201 B8R1.2 BrCC1=NC=NC=C1 6571AA [0,0,0,0,0,1|2,0,0]=3 202 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [0,0,0,0,0,1|3,0,0]=4 203 B8R1.2 C=CC1=NC=CN=C1 R581 [0,0,0,0,0,1|2,0,1]=4 204 B8R1.2 CC[N+]1=CC=CC=C1 E438 [0,0,0,0,0,1|3,0,0]=4 205 B8R1.2 ClCC1=NN=CC=C1 2587AB [0,0,0,0,0,1|2,0,0]=3 206 B8R1.2 FCC1=CC=NC=C1 2557AL [0,0,0,0,0,1|2,0,0]=3 207 B8R1.2 ICC1=CN=CC=C1 5715AJ [0,0,0,0,0,1|2,0,0]=3 208 B8R1.2 N#CC1=CC=NC=N1 W6240 [0,0,0,0,0,1|2,0,1]=4 209 B8R1.2 NCC1=CC=CC=C1 7149AL [0,0,0,0,0,1|2,0,0]=3 210 B8R1.2 NCC1=CC=NC=N1 Y7101 [0,0,0,0,0,1|2,0,0]=3 211 B8R1.2 NCC1=CC=NN=C1 X9904 [0,0,0,0,0,1|3,0,0]=4 212 B8R1.2 NCC1=CN=NC=C1 0175AP [0,0,0,0,0,1|3,0,0]=4 213 B8R1.2 NNC1=CC=NC=C1 0864AQ [0,0,0,0,0,1|3,0,0]=4 214 B8R1.2 NNC1=NN=CC=C1 5599AB [0,0,0,0,0,1|3,0,0]=4 215 B8R1.2 NOC1=CC=CC=C1 X4801 [0,0,0,0,0,1|3,0,0]=4 216 B8R1.2 O=CC1=NC=CC=N1 Y3220 [0,0,0,0,0,1|1,0,2]=4 217 B8R1.2 O=[As]C1=CC=CC=C1 7620AF [0,0,0,0,0,1|2,0,1]=4 218 B8R1.2 ONC1=CC=CC=C1 0019AQ [0,0,0,0,0,1|2,0,0]=3 219 B8R1.2 SCC1=CC=CN=C1 Z2753 [0,0,0,0,0,1|1,1,0]=3 220 B5R0.1 C=CCC(=C)C 5694AL [1,0,1,0,0,0|1,0,0]=3 221 B5R0.1 C=CCC(C)O 7318AF [1,0,1,0,0,0|0,0,2]=4 222 B5R0.1 C=COC(C)C 3476AL [1,0,1,0,0,0|0,0,2]=4 223 B5R0.1 C\C=C\B(O)O X4905 [1,0,1,0,0,0|1,0,1]=4 224 B5R0.1 O=C(O)\C=C/Br V3608 [1,0,1,0,0,0|1,0,1]=4 225 B5R0.1 O=C(O)\C=C/I 9333AB [1,0,1,0,0,0|1,0,1]=4 226 B5R0.1 O=C(O)\C=C\I V7047 [1,0,1,0,0,0|1,0,1]=4 227 B5R0.2 C=CCOCC 5601AE [1,0,1,0,0,0|0,0,2]=4 228 B5R0.2 C=CC\C=C/C 0307AQ [1,0,1,0,0,0|1,0,1]=4 229 B5R0.3 C=C[C@H](O)CO 1303AL [1,0,1,0,0,0|0,0,1]=3 230 B5R1.1 C1=CSN=C1 Z4550 [2,0,0,0,0,0|1,1,0]=4 231 B5R1.1 C1=NN=CO1 2890AB [2,0,0,0,0,0|2,0,0]=4 232 B7R0.1 OCC\C=C\CCO 0001AQ [0,1,1,0,0,0|0,0,2]=4 233 B7R1.2 BrC1=CC=C(Br)[Se]1 5359AL [1,1,0,0,0,0|1,1,0]=4 234 B7R1.2 CC1=CC(N)=CS1 Z4474 [1,1,0,0,0,0|0,1,0]=3 235 B7R1.2 CC1=CC=C(Cl)S1 8881AA [1,1,0,0,0,0|0,1,0]=3 236 B7R1.2 CC1=CN=C(N)N1 0439AC [1,1,0,0,0,0|2,0,0]=4 237 B7R1.2 CC1=CN=C(N)N1 3105AA [1,1,0,0,0,0|2,0,0]=4 238 B7R1.2 CC1=CN=C(N)N1 X7979 [1,1,0,0,0,0|2,0,0]=4 239 B7R1.2 CC1=COC(C)=N1 5323AL [1,1,0,0,0,0|1,0,0]=3 240 B7R1.2 CC1=CSC(N)=C1 5740AC [1,1,0,0,0,0|1,1,0]=4 241 B7R1.2 CC1=NC(Br)=CN1 W3545 [1,1,0,0,0,0|2,0,0]=4 242 B7R1.2 CC1=NC(N)=CS1 7776AC [1,1,0,0,0,0|1,1,0]=4 243 B7R1.2 CC1=NC=C(N)S1 Z5289 [1,1,0,0,0,0|1,1,0]=4 244 B7R1.2 CC1=NN=C(C)O1 Z4081 [1,1,0,0,0,0|2,0,0]=4 245 B7R1.2 CC1=NNC(Br)=C1 Z4899 [1,1,0,0,0,0|2,0,0]=4 246 B7R1.2 CC1=NSC(N)=C1 1797AB [1,1,0,0,0,0|2,0,0]=4 247 B7R1.2 CN1C=CC(Cl)=N1 9664AB [1,1,0,0,0,0|2,0,0]=4 248 B7R1.2 CN1C=CC(N)=N1 0807AQ [1,1,0,0,0,0|2,0,0]=4 249 B7R1.2 ClC1=CC(Br)=CS1 3619AB [1,1,0,0,0,0|1,1,0]=4 250 B7R1.2 FC1=CSC(Br)=C1 5520AL [1,1,0,0,0,0|1,1,0]=4 251 B7R1.2 IC1=COC(I)=N1 0733AQ [1,1,0,0,0,0|2,0,0]=4 252 B7R1.2 O=C1C=C(O)CC1 6113AE [1,1,0,0,0,0|1,0,1]=4 253 B7R1.2 OC1=NSC(Cl)=C1 Z4502 [1,1,0,0,0,0|2,0,0]=4 254 B7R1.4 CC1=C(Br)C=CO1 2185AJ [1,1,0,0,0,0|0,0,0]=2 255 B7R1.4 CC1=C(C)OC=N1 X5138 [1,1,0,0,0,0|1,0,0]=3 256 B7R1.4 CC1=C(N)ON=C1 4334AB [1,1,0,0,0,0|2,0,0]=4 257 B7R1.4 CC1=CCOC1=O 7576AD [1,1,0,0,0,0|0,0,2]=4 258 B7R1.4 CC1=CNC=C1C 2295AL [1,1,0,0,0,0|2,0,0]=4 259 B7R1.4 CC1=NOC=C1N 4428AB [1,1,0,0,0,0|2,0,0]=4 260 B7R1.4 CN1SC=CC1=O P432 [1,1,0,0,0,0|1,1,0]=4 261 B9R1.1 BrCC1=CN=C(Br)C=C1 Y3534 [0,1,0,0,0,1|2,0,0]=4 262 B9R1.1 CC1=CN=C(CCl)C=N1 Y4151 [0,1,0,0,0,1|2,0,0]=4 263 B9R1.1 CC1=CN=C(CCl)N=C1 5238AA [0,1,0,0,0,1|2,0,0]=4 264 B9R1.1 CC1=CN=C(CCl)N=C1 W8706 [0,1,0,0,0,1|2,0,0]=4 265 B9R1.1 CC1=CN=C(CO)N=C1 5144AC [0,1,0,0,0,1|1,0,0]=3 266 B9R1.1 CC1=NC=C(CCl)C=C1 Y9334 [0,1,0,0,0,1|2,0,0]=4 267 B9R1.1 CCC1=CC=C(C)C=C1 9372AB [0,1,0,0,0,1|2,0,0]=4 268 B9R1.1 CCC1=CC=C(Cl)C=N1 2584AA [0,1,0,0,0,1|2,0,0]=4 269 B9R1.1 CCC1=CC=C(N)C=N1 5249AA [0,1,0,0,0,1|2,0,0]=4 270 B9R1.1 CCC1=CC=C(S)C=C1 S243 [0,1,0,0,0,1|2,0,0]=4 271 B9R1.1 CCC1=CN=C(N)C=N1 X9917 [0,1,0,0,0,1|2,0,0]=4 272 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,1,0,0,0,1|2,0,0]=4 273 B9R1.1 CCC1=NC=C(Br)C=N1 W8957 [0,1,0,0,0,1|2,0,0]=4 274 B9R1.1 C[N+]1=CC=C(CO)C=C1 7356AE [0,1,0,0,0,1|1,0,0]=3 275 B9R1.1 ClC1=NC=C(CBr)C=C1 3738AB [0,1,0,0,0,1|2,0,0]=4 276 B9R1.1 ClCC1=NC=C(Cl)C=C1 7439AC [0,1,0,0,0,1|2,0,0]=4 277 B9R1.1 NC1=CC=C(CO)N=C1 8824AH [0,1,0,0,0,1|1,0,0]=3 278 B9R1.1 NC1=NC=C(CO)C=N1 3624AA [0,1,0,0,0,1|2,0,0]=4 279 B9R1.1 NCC1=CN=C(Cl)C=N1 1378AA [0,1,0,0,0,1|2,0,0]=4 280 B9R1.1 NCC1=CNC(=O)C=C1 5770AA [0,1,0,0,0,1|2,0,0]=4 281 B9R1.1 NCC1=NC=C(Br)C=C1 8830AH [0,1,0,0,0,1|2,0,0]=4 282 B9R1.1 NCC1=NC=C(Br)C=C1 W3796 [0,1,0,0,0,1|2,0,0]=4 283 B9R1.1 NCC1=NC=C(Br)C=N1 Z4014 [0,1,0,0,0,1|2,0,0]=4 284 B9R1.1 NCC1=NC=C(Cl)C=N1 8838AH [0,1,0,0,0,1|2,0,0]=4 285 B9R1.1 NCC1=NC=C(Cl)C=N1 9256AH [0,1,0,0,0,1|2,0,0]=4 286 B9R1.1 OCC1=CC=C(Cl)N=N1 0342AA [0,1,0,0,0,1|1,0,0]=3 287 B9R1.1 OCC1=NC=C(Cl)C=N1 4772AJ [0,1,0,0,0,1|1,0,0]=3 288 B9R1.1 OCC1=NC=C(F)C=C1 3321AB [0,1,0,0,0,1|1,0,0]=3 289 B9R1.2 BrCC1=CC(Br)=NC=C1 6323AA [0,1,0,0,0,1|2,0,0]=4 290 B9R1.2 BrCC1=CC(Br)=NC=C1 Z1895 [0,1,0,0,0,1|2,0,0]=4 291 B9R1.2 CC1=CC(CCl)=NC=C1 4926AB [0,1,0,0,0,1|2,0,0]=4 292 B9R1.2 CC1=CC(CN)=CC=N1 6141AC [0,1,0,0,0,1|2,0,0]=4 293 B9R1.2 CC1=CC(CN)=CN=C1 2036AC [0,1,0,0,0,1|2,0,0]=4 294 B9R1.2 CC1=CC(CN)=NC=C1 Y7378 [0,1,0,0,0,1|2,0,0]=4 295 B9R1.2 CC1=CC(CO)=NC=C1 Z4739 [0,1,0,0,0,1|1,0,0]=3 296 B9R1.2 CC1=CC=CC(CBr)=N1 Y9700 [0,1,0,0,0,1|2,0,0]=4 297 B9R1.2 CC1=CN=CC(CCl)=N1 2673AC [0,1,0,0,0,1|2,0,0]=4 298 B9R1.2 CC1=NC(CO)=NC=C1 Y3221 [0,1,0,0,0,1|1,0,0]=3 299 B9R1.2 CCC1=CC(=O)N=CN1 4704AA [0,1,0,0,0,1|2,0,0]=4 300 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [0,1,0,0,0,1|2,0,0]=4 301 B9R1.2 CCC1=CC(N)=CC=N1 5543AJ [0,1,0,0,0,1|2,0,0]=4 302 B9R1.2 CCC1=CC(N)=NC=N1 3305AC [0,1,0,0,0,1|2,0,0]=4 303 B9R1.2 CCC1=CC=NC(Cl)=C1 5411AB [0,1,0,0,0,1|2,0,0]=4 304 B9R1.2 CCC1=NC(C)=CC=C1 2156AA [0,1,0,0,0,1|2,0,0]=4 305 B9R1.2 ClC1=CC(CBr)=CC=N1 Y1576 [0,1,0,0,0,1|2,0,0]=4 306 B9R1.2 ClCC1=CC(Cl)=CN=C1 2237AJ [0,1,0,0,0,1|2,0,0]=4 307 B9R1.2 ClCC1=CN=CC(Br)=C1 Z8207 [0,1,0,0,0,1|2,0,0]=4 308 B9R1.2 ClCC1=CN=CC(Cl)=C1 2236AJ [0,1,0,0,0,1|2,0,0]=4 309 B9R1.2 FC1=CC=CC(CBr)=N1 Z3784 [0,1,0,0,0,1|2,0,0]=4 310 B9R1.2 NC1=CC(CO)=CN=C1 Z2689 [0,1,0,0,0,1|1,0,0]=3 311 B9R1.2 NC1=NC(CO)=CC=N1 1009AB [0,1,0,0,0,1|1,0,0]=3 312 B9R1.2 NCC1=CC(=O)NC=C1 6129AC [0,1,0,0,0,1|2,0,0]=4 313 B9R1.2 NCC1=CC(Cl)=CN=C1 5679AJ [0,1,0,0,0,1|2,0,0]=4 314 B9R1.2 NCC1=CC(N)=NC=C1 5441AJ [0,1,0,0,0,1|2,0,0]=4 315 B9R1.2 NCC1=CC(N)=NC=N1 3584AF [0,1,0,0,0,1|2,0,0]=4 316 B9R1.2 NCC1=CC=CC(Br)=N1 X7041 [0,1,0,0,0,1|2,0,0]=4 317 B9R1.2 NCC1=CC=C[N+]([O-])=C1 2361AL [0,1,0,0,0,1|2,0,0]=4 318 B9R1.2 NCC1=NC(Br)=CC=C1 5367AC [0,1,0,0,0,1|2,0,0]=4 319 B9R1.2 NCC1=NC(F)=CC=C1 4862AA [0,1,0,0,0,1|2,0,0]=4 320 B9R1.2 NCC1=NC(F)=CC=C1 Y8188 [0,1,0,0,0,1|2,0,0]=4 321 B9R1.2 NCC1=NC=CC(Br)=C1 W8887 [0,1,0,0,0,1|2,0,0]=4 322 B9R1.2 NCC1=NC=CC(Br)=C1 Z3782 [0,1,0,0,0,1|2,0,0]=4 323 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [0,1,0,0,0,1|2,0,0]=4 324 B9R1.2 OC1=NC(CCl)=NC=C1 Y3173 [0,1,0,0,0,1|2,0,0]=4 325 B9R1.2 OCC1=CC(S)=CC=C1 0333AF [0,1,0,0,0,1|1,0,0]=3 326 B9R1.2 OCC1=CN=CC(Br)=N1 3660AA [0,1,0,0,0,1|1,0,0]=3 327 B9R1.2 [O-][N+]1=CC(CO)=CC=C1 2162AH [0,1,0,0,0,1|1,0,0]=3 328 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,1,0,0,0,1|2,0,0]=4 329 B9R1.6 CC(Cl)C1=NC=CN=C1 Z2354 [0,1,0,0,0,1|2,0,0]=4 330 B9R1.6 C[C@@H](N)C1=CC=CC=N1 6298AA [0,1,0,0,0,1|2,0,0]=4 331 B9R1.6 C[C@@H](N)C1=CC=CN=C1 8353AH [0,1,0,0,0,1|2,0,0]=4 332 B9R1.6 C[C@H](N)C1=CC=NC=C1 4830AJ [0,1,0,0,0,1|2,0,0]=4 333 B9R1.6 FC(F)C1=CC=NC=C1 0239AF [0,1,0,0,0,1|2,0,0]=4 334 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [0,1,0,0,0,1|2,0,0]=4 335 B9R1.8 BrCCC1=CC=CC=N1 5125AB [0,1,0,0,0,1|2,0,0]=4 336 B9R1.8 CCNC1=NC=CN=C1 Z2415 [0,1,0,0,0,1|2,0,0]=4 337 B9R1.8 CNCC1=CC=CC=C1 3855AD [0,1,0,0,0,1|2,0,0]=4 338 B9R1.8 CNCC1=CC=CC=N1 7146AD [0,1,0,0,0,1|2,0,0]=4 339 B9R1.8 CNCC1=CC=NC=N1 6023AD [0,1,0,0,0,1|2,0,0]=4 340 B9R1.8 CNCC1=NC=CC=N1 X8879 [0,1,0,0,0,1|2,0,0]=4 341 B9R1.8 CNCC1=NC=CN=C1 X9439 [0,1,0,0,0,1|2,0,0]=4 342 B9R1.8 ClCCC1=NC=CC=C1 X6257 [0,1,0,0,0,1|2,0,0]=4 343 B9R1.8 N#CCC1=CC=NC=C1 Z9553 [0,1,0,0,0,1|2,0,0]=4 344 B9R1.8 N#CCC1=NC=CC=N1 8863AB [0,1,0,0,0,1|2,0,0]=4 345 B9R1.8 N#CCC1=NC=NC=C1 2417AC [0,1,0,0,0,1|2,0,0]=4 346 B9R1.8 NCCC1=CC=CN=C1 5033AC [0,1,0,0,0,1|2,0,0]=4 347 B9R1.8 NCCC1=CN=CC=N1 1878AJ [0,1,0,0,0,1|2,0,0]=4 348 B9R1.8 NCCC1=NC=CN=C1 Y9352 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.8 NNCC1=CC=CC=N1 4874AC [0,1,0,0,0,1|2,0,0]=4 350 B9R1.8 NOCC1=CC=CN=C1 7306AJ [0,1,0,0,0,1|1,0,0]=3 351 B9R1.8 OCCC1=CN=CN=C1 W8980 [0,1,0,0,0,1|2,0,0]=4 352 B9R1.8 OCCC1=NC=CN=C1 Z5014 [0,1,0,0,0,1|1,0,0]=3 353 B9R1.15 CC1=C(CBr)C=NC=C1 Y7235 [0,1,0,0,0,1|2,0,0]=4 354 B9R1.15 CC1=C(CN)C=CN=C1 4277AH [0,1,0,0,0,1|2,0,0]=4 355 B9R1.15 CC1=C(CN)C=CN=C1 Y4868 [0,1,0,0,0,1|2,0,0]=4 356 B9R1.15 CC1=CC=CN=C1CBr Y9115 [0,1,0,0,0,1|2,0,0]=4 357 B9R1.15 CC1=CC=CN=C1CO 0931AC [0,1,0,0,0,1|1,0,0]=3 358 B9R1.15 CC1=CN=CC=C1CO 4896AB [0,1,0,0,0,1|1,0,0]=3 359 B9R1.15 CC1=NC=CC=C1CCl 8680AB [0,1,0,0,0,1|2,0,0]=4 360 B9R1.15 CC1=NC=CN=C1CCl 2672AC [0,1,0,0,0,1|2,0,0]=4 361 B9R1.15 CC1=NC=CN=C1CO 8119AA [0,1,0,0,0,1|1,0,0]=3 362 B9R1.15 CCC1=C(Br)C=CN=C1 0440AA [0,1,0,0,0,1|2,0,0]=4 363 B9R1.15 CCC1=C(Br)C=NC=C1 W9928 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.15 CCC1=CC=CC=C1C Z4941 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.15 CCC1=NC=CN=C1N 5741AC [0,1,0,0,0,1|2,0,0]=4 366 B9R1.15 CCC1=[N+]([O-])C=CC=C1 7886AF [0,1,0,0,0,1|2,0,0]=4 367 B9R1.15 ClCC1=C(Br)C=CC=C1 8546AB [0,1,0,0,0,1|2,0,0]=4 368 B9R1.15 ClCC1=NC=CC=C1Br Z8668 [0,1,0,0,0,1|2,0,0]=4 369 B9R1.15 ClCC1=NC=CN=C1Cl W6373 [0,1,0,0,0,1|2,0,0]=4 370 B9R1.15 FC1=CC=CN=C1CCl X7998 [0,1,0,0,0,1|2,0,0]=4 371 B9R1.15 NC1=C(CO)C=NC=C1 W3010 [0,1,0,0,0,1|1,0,0]=3 372 B9R1.15 NC1=C(CO)N=CC=C1 5776AJ [0,1,0,0,0,1|1,0,0]=3 373 B9R1.15 NCC1=C(F)C=NC=C1 W8931 [0,1,0,0,0,1|2,0,0]=4 374 B9R1.15 NCC1=C(F)N=CC=C1 3392AC [0,1,0,0,0,1|2,0,0]=4 375 B9R1.15 NCC1=C(I)C=CC=C1 1744AJ [0,1,0,0,0,1|2,0,0]=4 376 B9R1.15 NCC1=CC=CC=C1N W5201 [0,1,0,0,0,1|2,0,0]=4 377 B9R1.15 NCC1=CC=CN=C1Br 0546AB [0,1,0,0,0,1|2,0,0]=4 378 B9R1.15 NCC1=CC=CN=C1Cl 8496AH [0,1,0,0,0,1|2,0,0]=4 379 B9R1.15 NCC1=CC=CN=C1Cl Y8187 [0,1,0,0,0,1|2,0,0]=4 380 B9R1.15 NCC1=CC=CN=C1F W4328 [0,1,0,0,0,1|2,0,0]=4 381 B9R1.15 NCC1=CC=CNC1=O 3266AC [0,1,0,0,0,1|2,0,0]=4 382 B9R1.15 OCC1=C(Cl)C=CN=C1 V0669 [0,1,0,0,0,1|1,0,0]=3 383 B9R1.15 OCC1=C(Cl)C=NC=C1 Y4116 [0,1,0,0,0,1|1,0,0]=3 384 B9R1.15 OCC1=C(O)C=NC=C1 X7917 [0,1,0,0,0,1|1,0,0]=3 385 B9R1.15 OCC1=NC=CC=C1Br W6721 [0,1,0,0,0,1|1,0,0]=3 386 B9R1.15 OCC1=NC=CC=C1Cl Z4931 [0,1,0,0,0,1|1,0,0]=3 387 B9R1.15 [O-][N+]1=C(CCl)C=CC=C1 Y8686 [0,1,0,0,0,1|2,0,0]=4 388 B9R1.7 C=CCC1=CC=C(Br)S1 5032AD [0,2,0,0,0,0|1,1,0]=4 389 B9R1.7 CC1=CC=C(CCN)S1 5238AJ [0,2,0,0,0,0|1,1,0]=4 390 B9R1.7 CC1=CC=C(CCN)S1 9610AD [0,2,0,0,0,0|1,1,0]=4 391 B9R1.7 CCOC1=CC(N)=NO1 5802AJ [0,2,0,0,0,0|2,0,0]=4 392 B9R1.7 CNCC1=CC(Br)=CS1 0077AF [0,2,0,0,0,0|1,1,0]=4 393 B9R1.7 CNCC1=CC(C)=CS1 Y4552 [0,2,0,0,0,0|1,1,0]=4 394 B9R1.7 CNCC1=CC=C(Br)O1 2148AF [0,2,0,0,0,0|1,0,0]=3 395 B9R1.7 CNCC1=CC=C(C)S1 2719AC [0,2,0,0,0,0|1,1,0]=4 396 B9R1.7 CNCC1=CC=C(C)S1 5250AC [0,2,0,0,0,0|1,1,0]=4 397 B9R1.7 COCN1C=C(N)C=N1 0110AA [0,2,0,0,0,0|2,0,0]=4 398 B9R1.7 N#CCC1=CC(Br)=CS1 5096AD [0,2,0,0,0,0|1,1,0]=4 399 B9R1.7 NC1=NC=C(CCO)S1 1301AA [0,2,0,0,0,0|1,1,0]=4 400 B9R1.7 NCCC1=CC(Br)=CS1 1027AJ [0,2,0,0,0,0|1,1,0]=4 401 B9R1.7 NCCC1=CC(Br)=CS1 1159AJ [0,2,0,0,0,0|1,1,0]=4 402 B9R1.7 NCCC1=CC=C(Br)S1 1209AJ [0,2,0,0,0,0|1,1,0]=4 403 B9R1.21 CCC1=NOC(CCl)=C1 7414AE [0,2,0,0,0,0|2,0,0]=4 404 B9R1.21 CCC1=NOC(CN)=C1 7203AA [0,2,0,0,0,0|2,0,0]=4 405 B9R1.21 CCC1=NOC(CN)=C1 9790AE [0,2,0,0,0,0|2,0,0]=4 406 B9R1.21 CCC1=NOC(CO)=N1 8642AH [0,2,0,0,0,0|2,0,0]=4 407 B9R1.21 N#CC1=CC=C(C#N)O1 5364AL [0,2,0,0,0,0|1,0,1]=4 408 B9R1.21 N#CC1=CC=C(CN)O1 2978AJ [0,2,0,0,0,0|1,0,0]=3 409 B9R1.21 N#CC1=CC=C(CN)S1 1403AB [0,2,0,0,0,0|1,1,0]=4 410 B9R1.21 N#CC1=CC=C(CN)S1 8872AA [0,2,0,0,0,0|1,1,0]=4 411 B9R1.21 O=CC1=CC=C(CO)N1 0366AC [0,2,0,0,0,0|1,0,0]=3 412 B9R1.22 CC1=C(CO)OC(=O)O1 X6733 [0,2,0,0,0,0|1,0,0]=3 413 B9R1.22 CC1=NC(C)=C(CO)O1 7282AD [0,2,0,0,0,0|1,0,0]=3 414 B9R1.22 CC1=NC(C)=C(CO)S1 W6569 [0,2,0,0,0,0|1,1,0]=4 415 B9R1.22 CN1C=C(Br)C(CO)=N1 Y4687 [0,2,0,0,0,0|2,0,0]=4 416 B9R1.22 OCC1=C(Br)SC(Br)=N1 3610AF [0,2,0,0,0,0|2,0,0]=4 417 B9R1.22 OCC1=C(Cl)N=C(Cl)S1 W3712 [0,2,0,0,0,0|1,1,0]=4 418 B9R1.23 O=CC1=CC(Br)=C(Br)O1 D393 [0,2,0,0,0,0|0,0,2]=4 419 B9R1.35 CC(=O)C1=CC=C(Br)O1 3520AB [0,2,0,0,0,0|0,0,2]=4 420 B9R1.35 CC(N)C1=CC=C(Br)S1 3539AD [0,2,0,0,0,0|1,1,0]=4 421 B9R1.35 CC(N)C1=CC=C(Cl)S1 7287AD [0,2,0,0,0,0|1,1,0]=4 422 B9R1.35 CC1=CC=C(C(=O)O)N1 4808AB [0,2,0,0,0,0|1,0,1]=4 423 B9R1.35 CC1=CN=C(C(=O)O)O1 X6429 [0,2,0,0,0,0|1,0,1]=4 424 B9R1.35 CC1=CNC(C(=O)O)=C1 V0508 [0,2,0,0,0,0|1,0,1]=4 425 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,2,0,0,0,0|1,0,1]=4 426 B9R1.35 NC1=CSC(C(=O)O)=C1 6089AJ [0,2,0,0,0,0|0,1,1]=4 427 B9R1.35 NC1=NC=C(C(=O)O)O1 V8587 [0,2,0,0,0,0|1,0,1]=4 428 B9R1.35 O=C(O)C1=CC(Cl)=NO1 0612AB [0,2,0,0,0,0|1,0,1]=4 429 B9R1.35 O=C(O)C1=CC(F)=CS1 3617AB [0,2,0,0,0,0|0,1,1]=4 430 B9R1.35 O=C(O)C1=CC=C(I)O1 6244AD [0,2,0,0,0,0|0,0,1]=3 431 B9R1.35 O=C(O)C1=NC(Br)=CO1 X6341 [0,2,0,0,0,0|1,0,1]=4 432 B9R1.35 O=[N+]([O-])C1=CC=C(Br)O1 5524AL [0,2,0,0,0,0|1,0,1]=4 433 B9R1.132 CN1C(Br)=CN=C1CO 3457AC [0,2,0,0,0,0|2,0,0]=4 434 B9R1.132 CN1C(CO)=CN=C1N Z5989 [0,2,0,0,0,0|2,0,0]=4 435 B9R1.11 CC(CO)N1C=CC=N1 6461AD [0,2,0,0,0,0|2,0,0]=4 436 B9R1.11 CCC(=O)C1=CC=CO1 Z5507 [0,2,0,0,0,0|1,0,0]=3 437 B9R1.11 COC(=O)C1=NC=CO1 3452AB [0,2,0,0,0,0|1,0,1]=4 438 B9R1.11 N#CC(=O)C1=CC=CO1 9015AB [0,2,0,0,0,0|0,0,2]=4 439 B9R1.11 N\C(=N/O)C1=CC=CO1 2252AB [0,2,0,0,0,0|0,0,1]=3 440 B9R1.11 O=C(CCl)C1=NC=CO1 1641AJ [0,2,0,0,0,0|2,0,0]=4 441 B9R1.11 O=CC(=O)C1=CC=CO1 8783AA [0,2,0,0,0,0|0,0,2]=4 442 B9R1.19 CC(C)(C)C1=CC=CO1 0781AQ [0,2,0,0,0,0|1,0,0]=3 443 B9R1.19 CC(C)(C)C1=CC=CS1 Z5471 [0,2,0,0,0,0|1,1,0]=4 444 B9R1.19 CC(C)(O)C1=NC=CS1 V3604 [0,2,0,0,0,0|1,1,0]=4 445 B9R1.19 FC(F)(F)C1=CC=CS1 Z5209 [0,2,0,0,0,0|1,1,0]=4 446 B9R1.41 CC1=C(C(=O)O)NC=C1 W9332 [0,2,0,0,0,0|1,0,1]=4 447 B9R1.41 CC1=C(C(=O)O)ON=C1 2244AB [0,2,0,0,0,0|1,0,1]=4 448 B9R1.41 OB(O)C1=C(Cl)C=CS1 X0705 [0,2,0,0,0,0|1,1,0]=4 449 B9R1.12 CCCCC1=CC=CO1 5552AL [0,2,0,0,0,0|1,0,0]=3 450 B9R1.12 CCNCC1=CC=CO1 7158AA [0,2,0,0,0,0|1,0,0]=3 451 B9R1.12 CCOCC1=NC=CN1 V7222 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.12 N#C\C=C\C1=CC=CO1 0767AQ [0,2,0,0,0,0|1,0,1]=4 453 B9R1.12 NCCCC1=CC=CO1 3731AE [0,2,0,0,0,0|1,0,0]=3 454 B9R1.12 NCCCC1=CC=CS1 6482AE [0,2,0,0,0,0|1,1,0]=4 455 B9R1.12 O=C=NCC1=CC=CS1 8554AE [0,2,0,0,0,0|0,1,1]=4 456 B9R1.12 S=C=NCC1=CC=CO1 4029AE [0,2,0,0,0,0|0,1,0]=3 457 B9R1.13 CC(=O)CC1=CC=CS1 4644AD [0,2,0,0,0,0|0,1,1]=4 458 B9R1.13 CC(N)CC1=CC=CO1 8493AB [0,2,0,0,0,0|1,0,0]=3 459 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,2,0,0,0,0|0,0,0]=2 460 B9R1.13 CN(C)CC1=CC=CS1 2203AB [0,2,0,0,0,0|1,1,0]=4 461 B9R1.13 N=C(N)CC1=CC=CS1 7341AE [0,2,0,0,0,0|1,1,0]=4 462 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [0,2,0,0,0,0|1,0,0]=3 463 B9R1.13 O=C(O)CC1=CNC=C1 3621AC [0,2,0,0,0,0|2,0,0]=4 464 B9R1.13 O=C(O)CC1=CSC=N1 5235AJ [0,2,0,0,0,0|2,0,0]=4 465 B9R1.13 O=C(O)CC1=NC=CN1 9876AA [0,2,0,0,0,0|2,0,0]=4 466 B9R1.13 O=C(O)CC1=NC=CS1 W4072 [0,2,0,0,0,0|1,1,0]=4 467 B9R1.13 O=C(O)CC1=NNC=C1 1006AJ [0,2,0,0,0,0|2,0,0]=4 468 B9R1.13 O=C(O)CC1=NNC=C1 1007AJ [0,2,0,0,0,0|2,0,0]=4 469 B9R1.33 CC1=C(\C=N\O)SC=C1 Z4720 [0,2,0,0,0,0|0,1,1]=4 470 B9R1.33 CC1=CC=NN1CCO 3041AE [0,2,0,0,0,0|2,0,0]=4 471 B9R1.33 CN1C=CC=C1CCN 1703AL [0,2,0,0,0,0|2,0,0]=4 472 B9R1.33 CNCC1=C(Br)C=CS1 8509AC [0,2,0,0,0,0|1,1,0]=4 473 B9R1.33 CNCC1=C(C)C=CS1 3445AC [0,2,0,0,0,0|1,1,0]=4 474 B9R1.33 CNCC1=C(C)C=CS1 V8159 [0,2,0,0,0,0|1,1,0]=4 475 B9R1.33 CNCC1=CC=CN1C 8584AD [0,2,0,0,0,0|2,0,0]=4 476 B9R1.14 CCN1C=CN=C1CO 7181AE [0,2,0,0,0,0|2,0,0]=4 477 B9R1.14 CCN1N=CC=C1CO Y5139 [0,2,0,0,0,0|2,0,0]=4 478 B9R1.14 OCC1=C(CO)SC=N1 6032AJ [0,2,0,0,0,0|1,1,0]=4 479 B7R1.3 O=C1C=CCOC1 6867AC [0,0,1,1,0,0|0,0,2]=4 480 B5R1.3 OCC1CO1 Y6562 [0,0,0,0,2,0|0,0,2]=4