0 B12R1.77 CC[C@@H](N)C1=CC=CC=C1OC W7435 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.77 COC(=O)C1=C(CBr)N=CC=C1 2763AA [0,0,0,0,0,0|3,0,0]=3 2 B12R1.77 COC(=O)C1=C(CO)C=CC=C1 5643AB [0,0,0,0,0,0|2,0,0]=2 3 B12R1.77 COC(=O)C1=CC=CN=C1C#N 6954AJ [0,0,0,0,0,0|3,0,0]=3 4 B12R1.77 COC(=O)C1=CC=NC=C1OC 8906AB [0,0,0,0,0,0|1,0,0]=1 5 B12R1.77 COC(=O)C1=CN=CC=C1CBr 2764AA [0,0,0,0,0,0|3,0,0]=3 6 B12R1.77 COC(=O)C1=NC=CC=C1C=O 6055AA [0,0,0,0,0,0|3,0,0]=3 7 B12R1.77 COC(=O)C1=NC=CN=C1OC 5349AB [0,0,0,0,0,0|2,0,0]=2 8 B12R1.77 COC1=C(C(=O)NN)C=CC=N1 2420AF [0,0,0,0,0,0|3,0,0]=3 9 B12R1.77 COC1=CC=CC=C1C(=O)C=O 9051AD [0,0,0,0,0,0|2,0,0]=2 10 B12R1.77 COC1=CC=CC=C1C(N)C#N W7577 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.77 COC1=CC=CC=C1\C(Cl)=N\O 1566AC [0,0,0,0,0,0|3,0,0]=3 12 B12R1.77 N#CC1=C(C(=O)NN)C=CC=C1 0164AB [0,0,0,0,0,0|4,0,0]=4 13 B11R1.41 CCNC1=C(OC)C=CC=C1 0860AF [1,0,0,0,0,0|2,0,0]=3 14 B11R1.41 CCOC1=CC=CC=C1NC 6851AD [1,0,0,0,0,0|3,0,0]=4 15 B11R1.41 CCOC1=CC=CC=C1OC 1622AL [1,0,0,0,0,0|2,0,0]=3 16 B11R1.41 COC1=C(CC=O)C=CC=C1 3932AB [1,0,0,0,0,0|2,0,1]=4 17 B11R1.41 COC1=CC=CC=C1CNN 0742AF [1,0,0,0,0,0|2,0,1]=4 18 B11R1.41 COC1=CC=CC=C1CON 3475AB [1,0,0,0,0,0|1,0,1]=3 19 B11R1.41 COC1=CC=CC=C1NC#N 7450AE [1,0,0,0,0,0|3,0,0]=4 20 B11R1.41 COCC1=C(CN)C=CC=C1 1506AF [1,0,0,0,0,0|2,0,1]=4 21 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 1385AL [1,0,0,0,0,0|1,0,1]=3 22 B11R1.53 CC(=O)C1=C(C=O)C=CC=C1 1775AB [1,0,0,0,0,0|2,0,0]=3 23 B11R1.53 CCC1=NC=CC=C1C(=O)O 4086AB [1,0,0,0,0,0|2,0,0]=3 24 B11R1.53 COC1=C(B(O)O)C=NC=C1 X0739 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.53 COC1=C(C(=O)O)C=NC=N1 6197AJ [1,0,0,0,0,0|2,0,0]=3 26 B11R1.53 COC1=C(C(N)=O)C=NC=C1 1526AC [1,0,0,0,0,0|2,0,0]=3 27 B11R1.53 COC1=C([C@@H](C)N)C=CC=C1 0915AC [1,0,0,0,0,0|1,0,1]=3 28 B11R1.53 COC1=CC=CC=C1C(=N)N 4779AE [1,0,0,0,0,0|2,0,0]=3 29 B11R1.53 COC1=CC=CC=C1[C@@H](C)O 2322AA [1,0,0,0,0,0|0,0,2]=3 30 B11R1.53 COC1=CC=CC=C1[C@H](C)O 1624AA [1,0,0,0,0,0|0,0,2]=3 31 B11R1.53 COC1=CN=CC=C1B(O)O X1581 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.53 CSC1=C(C(N)=O)C=CC=N1 Y7856 [1,0,0,0,0,0|2,1,0]=4 33 B11R1.53 CSC1=CC=CC=C1C(C)=O W3214 [1,0,0,0,0,0|0,1,0]=2 34 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 1354AC [1,0,0,0,0,0|3,0,0]=4 35 B11R1.53 N#CC1=C(C(=O)O)C=CN=C1 1346AA [1,0,0,0,0,0|3,0,0]=4 36 B11R1.53 N#CC1=C(C(=O)O)N=CC=C1 7716AB [1,0,0,0,0,0|3,0,0]=4 37 B11R1.53 NNC1=C(C(=O)O)C=CC=N1 3348AE [1,0,0,0,0,0|3,0,0]=4 38 B11R1.53 O=C(Br)C1=C(CBr)C=CC=C1 2821AE [1,0,0,0,0,0|3,0,0]=4 39 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 1604AB [1,0,0,0,0,0|3,0,0]=4 40 B11R1.222 CC1=C(C(=O)NN)C=CC=N1 6633AD [1,0,0,0,0,0|3,0,0]=4 41 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 2680AE [1,0,0,0,0,0|3,0,0]=4 42 B11R1.222 CC1=CC=CC=C1C(=O)C#N S734 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.222 CC1=CC=CC=C1C(=O)CN X6576 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 9392AH [1,0,0,0,0,0|2,0,0]=3 45 B11R1.222 CCC(=O)C1=CC=CN=C1Cl 5775AA [1,0,0,0,0,0|3,0,0]=4 46 B11R1.222 CCC(=O)C1=NC=CC=C1C V9138 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.222 CCN(N)C1=C(C)C=CC=C1 4838AL [1,0,0,0,0,0|3,0,0]=4 48 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C W8813 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.222 CNC(=O)C1=CC=CC=C1C 1029AB [1,0,0,0,0,0|1,0,0]=2 50 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 0980AA [1,0,0,0,0,0|2,0,0]=3 51 B11R1.222 COC(=O)C1=C(C)C=NC=C1 9924AC [1,0,0,0,0,0|1,0,0]=2 52 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 9708AB [1,0,0,0,0,0|2,0,0]=3 53 B11R1.222 COC(=O)C1=C(I)N=CC=C1 V9048 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.222 COC(=O)C1=CC=CN=C1S 9094AE [1,0,0,0,0,0|1,1,0]=3 55 B11R1.222 COC(=O)C1=CC=NN=C1N 7013AJ [1,0,0,0,0,0|3,0,0]=4 56 B11R1.222 COC(=O)C1=CC=NNC1=O 4854AC [1,0,0,0,0,0|2,0,1]=4 57 B11R1.222 COC(=O)C1=NC=CN=C1I W3780 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.222 NC1=CC=CC=C1C(=O)NO 5665AE [1,0,0,0,0,0|3,0,0]=4 59 B13R1.92 COC1=C(C(OC)OC)C=CC=N1 1093AF [0,1,0,0,0,0|1,0,2]=4 60 B13R1.107 COC(=O)C1=C(CBr)C(F)=CC=C1 4223AJ [0,1,0,0,0,0|2,0,0]=3 61 B13R1.107 COC(=O)C1=CC=CC(Cl)=C1CBr W4060 [0,1,0,0,0,0|2,0,0]=3 62 B13R1.107 COC(=O)C1=CC=CC(N)=C1OC 2126AJ [0,1,0,0,0,0|0,0,0]=1 63 B13R1.382 CCOC1=C(\C(C)=N/O)C=CC=C1 8156AC [0,1,0,0,0,0|3,0,0]=4 64 B13R1.382 CCOC1=CC=CC=C1C(=O)OC P676 [0,1,0,0,0,0|0,0,0]=1 65 B13R1.464 CCOC(=O)C1=C(C#N)N=CC=C1 W8273 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.464 CCOC(=O)C1=C(CBr)C=CN=C1 4150AB [0,1,0,0,0,0|3,0,0]=4 67 B13R1.464 CCOC(=O)C1=CC=CC=C1CBr 1039AC [0,1,0,0,0,0|2,0,0]=3 68 B13R1.547 CNC(=O)C1=CC=CC=C1B(O)O V8502 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.547 COC(=O)C1=C(C(=O)O)C=CN=C1 0965AP [0,1,0,0,0,0|3,0,0]=4 70 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)Cl 0145AQ [0,1,0,0,0,0|2,0,0]=3 71 B13R1.547 COC(=O)C1=CC=CC=C1C(F)F 7480AC [0,1,0,0,0,0|2,0,0]=3 72 B13R1.547 COC(=O)C1=CC=CC=C1C(N)=O 6951AJ [0,1,0,0,0,0|2,0,0]=3 73 B13R1.547 COC(=O)C1=CC=CC=C1S(C)=O 4189AE [0,1,0,0,0,0|0,1,0]=2 74 B13R1.547 COC(=O)C1=NC=CC=C1[N+](=O)[O-] 7039AJ [0,1,0,0,0,0|3,0,0]=4 75 B13R1.2065 COC(=O)C1=C(CBr)C=C(F)C=C1 4202AJ [0,1,0,0,0,0|2,0,0]=3 76 B13R1.2065 COC(=O)C1=NC=C(Br)C=C1OC 9215AC [0,1,0,0,0,0|1,0,0]=2 77 B13R1.2209 CNC(=O)C1=C(NC)N=CC(Br)=C1 3140AD [0,1,0,0,0,0|3,0,0]=4 78 B13R1.2209 CNC1=CC=C(Br)C=C1C(=O)OC Z4618 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.2209 CNC1=NC=C(Br)C=C1C(=O)OC 2421AD [0,1,0,0,0,0|2,0,0]=3 80 B13R1.2209 COC(=O)C1=C(OC)C=CC(Br)=N1 6239AC [0,1,0,0,0,0|1,0,0]=2 81 B13R1.2209 COC(=O)C1=CC(C)=CN=C1OC V5416 [0,1,0,0,0,0|1,0,0]=2 82 B13R1.2209 COC(=O)C1=CC(F)=CN=C1OC 4257AA [0,1,0,0,0,0|1,0,0]=2 83 B13R1.2209 COC(=O)C1=CC(N)=CC=C1OC 3074AJ [0,1,0,0,0,0|0,0,0]=1 84 B13R1.2209 COC1=C(C(=O)CBr)C=C(C)C=C1 8855AE [0,1,0,0,0,0|2,0,0]=3 85 B13R1.2357 COC(=O)C1=C(CBr)C=CC=C1Br 4221AJ [0,1,0,0,0,0|2,0,0]=3 86 B13R1.2357 COC(=O)C1=C(CBr)C=CC=C1F 4203AJ [0,1,0,0,0,0|2,0,0]=3 87 B13R1.2357 COC(=O)C1=C(Cl)C=CC=C1C=O 4224AJ [0,1,0,0,0,0|2,0,0]=3 88 B13R1.2357 COC(=O)C1=C(N)C=NC=C1OC Y3321 [0,1,0,0,0,0|1,0,0]=2 89 B13R2.32 NC1=COC2=C(C=CC=C2)C1=O 2350AL [0,0,0,1,0,0|2,0,1]=4 90 B13R2.32 NC1CCC2=CC=CC=C2C1=O 1459AJ [0,0,0,1,0,0|3,0,0]=4 91 B13R2.371 O=C1CCC(O)C2=CC=CC=C12 0747AB [0,0,0,1,0,0|3,0,0]=4 92 B13R2.582 COC1=C2B(O)OCC2=CC=C1 V9458 [0,0,0,1,0,0|1,0,1]=3 93 B13R2.582 COC1=CC=CC2=C1C(=O)CO2 1132AC [0,0,0,1,0,0|2,0,0]=3 94 B13R2.582 COC1=CC=CC2=C1C(N)=NO2 5953AD [0,0,0,1,0,0|3,0,0]=4 95 B13R2.582 N#CC1=CC=CC2=C1C(=O)CC2 Y8259 [0,0,0,1,0,0|3,0,0]=4 96 B13R2.1613 O\N=C1/CCOC2=C1C=CC=C2 6536AH [0,0,0,1,0,0|3,0,0]=4 97 B13R2.5252 NC1CCCOC2=C1C=CC=C2 1336AJ [0,0,0,1,0,0|2,0,1]=4 98 B13R2.5252 O=C1CCCSC2=CC=CC=C12 1335AJ [0,0,0,1,0,0|1,1,0]=3 99 B13R2.5252 O=C1NCCCC2=CC=CC=C12 V7221 [0,0,0,1,0,0|2,0,0]=3 100 B13R2.5252 OC1CCCOC2=CC=CC=C21 Y3177 [0,0,0,1,0,0|1,0,2]=4 101 B11R1.59 CCC1=C(C(=O)OC)N=CS1 2649AC [0,0,0,0,1,0|3,0,0]=4 102 B11R1.59 CNC1=C(C(=O)OC)C=CS1 6248AC [0,0,0,0,1,0|2,0,0]=3 103 B11R1.59 COC(=O)C1=C(C=O)C=CS1 3548AL [0,0,0,0,1,0|3,0,0]=4 104 B11R1.59 COC(=O)C1=C(CBr)C=CS1 8942AB [0,0,0,0,1,0|3,0,0]=4 105 B11R1.59 COC(=O)C1=C(OC)C=CS1 9382AB [0,0,0,0,1,0|1,0,0]=2 106 B13R1.91 COC(=O)CC1=CC=CC=C1CCl 3515AL [0,0,0,0,0,1|2,0,0]=3 107 B13R1.91 CSC1=C(NC(=O)CCl)C=CC=C1 2767AF [0,0,0,0,0,1|2,1,0]=4 108 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [2,0,0,0,0,0|1,0,1]=4 109 B10R1.20 CNC1=C(C=O)C=CC=C1 2162AC [2,0,0,0,0,0|1,0,0]=3 110 B10R1.20 CNC1=C(C=O)C=CC=N1 0212AE [2,0,0,0,0,0|2,0,0]=4 111 B10R1.20 CNC1=NC=CC=C1OC 2444AL [2,0,0,0,0,0|2,0,0]=4 112 B10R1.20 COC1=CC=CN=C1CO 8653AH [2,0,0,0,0,0|1,0,1]=4 113 B10R1.20 COC1=CC=NC=C1C=O O038 [2,0,0,0,0,0|1,0,0]=3 114 B10R1.20 COC1=CC=NC=C1OC 1881AA [2,0,0,0,0,0|1,0,0]=3 115 B10R1.20 O=CC1=C(CCl)C=CC=C1 1257AJ [2,0,0,0,0,0|2,0,0]=4 116 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [2,0,0,0,0,0|1,0,0]=3 117 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 2023AA [2,0,0,0,0,0|2,0,0]=4 118 B10R1.61 CC(=O)C1=C(N)C=CC=N1 4526AH [2,0,0,0,0,0|2,0,0]=4 119 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [2,0,0,0,0,0|1,0,0]=3 120 B10R1.61 CC(=O)C1=CC=NC=C1N 7556AJ [2,0,0,0,0,0|2,0,0]=4 121 B10R1.61 CC(=O)C1=CN=CC=C1C 7123AB [2,0,0,0,0,0|1,0,0]=3 122 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [2,0,0,0,0,0|1,0,0]=3 123 B10R1.61 CC(N)C1=C(O)C=CC=C1 5161AJ [2,0,0,0,0,0|1,0,1]=4 124 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [2,0,0,0,0,0|1,0,1]=4 125 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [2,0,0,0,0,0|1,0,1]=4 126 B10R1.61 CC1=CC=CC=C1[C@@H](C)O Y1501 [2,0,0,0,0,0|0,0,2]=4 127 B10R1.61 CC1=CC=CC=C1[C@H](C)N W8323 [2,0,0,0,0,0|1,0,1]=4 128 B10R1.61 CC1=CC=CC=C1[C@H](C)O Y1500 [2,0,0,0,0,0|0,0,2]=4 129 B10R1.61 CS(=O)C1=CC=CC=C1Br 8910AE [2,0,0,0,0,0|2,0,0]=4 130 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [2,0,0,0,0,0|1,0,0]=3 131 B10R1.61 O=C(O)C1=C(I)N=CC=C1 1745AJ [2,0,0,0,0,0|2,0,0]=4 132 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [2,0,0,0,0,0|2,0,0]=4 133 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [2,0,0,0,0,0|1,0,1]=4 134 B10R1.15 COC(=N)C1=CC=NC=C1 4422AB [2,0,0,0,0,0|2,0,0]=4 135 B10R1.15 COC(=O)C1=CC=NN=C1 W5569 [2,0,0,0,0,0|2,0,0]=4 136 B10R1.15 COC(=O)C1=CN=CN=C1 4090AB [2,0,0,0,0,0|2,0,0]=4 137 B10R1.15 COC(=O)N1C=CC=CC1 3960AB [2,0,0,0,0,0|1,0,1]=4 138 B10R1.15 O=C(N[O-])C1=CC=CC=C1 8985AL [2,0,0,0,0,0|2,0,0]=4 139 B12R1.75 C=C(C)CC1=C(OC)C=CC=C1 3235AF [1,1,0,0,0,0|1,0,1]=4 140 B12R1.121 CNCCC1=CC=CC=C1OC 7980AC [1,1,0,0,0,0|1,0,1]=4 141 B12R1.121 COC1=C(CCCBr)C=CC=C1 2016AE [1,1,0,0,0,0|1,0,1]=4 142 B12R1.268 CNC1=CC=C(Cl)C=C1COC V9345 [1,1,0,0,0,0|1,0,1]=4 143 B12R1.46 CNC1=CC=C(C)C=C1C(=O)O 2943AL [1,1,0,0,0,0|1,0,0]=3 144 B12R1.46 COC1=C(C(=O)O)C=C(C)C=N1 Z8659 [1,1,0,0,0,0|1,0,0]=3 145 B12R1.46 COC1=C(C(C)O)C=C(F)C=C1 1447AL [1,1,0,0,0,0|0,0,2]=4 146 B12R1.46 COC1=C(C(N)=O)C=C(Br)C=C1 9561AD [1,1,0,0,0,0|1,0,0]=3 147 B12R1.46 COC1=CC=C(Br)C=C1C(C)C Z0425 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.46 COC1=CC=C(Cl)C=C1C(=N)N 5285AD [1,1,0,0,0,0|2,0,0]=4 149 B12R1.46 COC1=NC=C(Br)C=C1C(C)=O 4838AA [1,1,0,0,0,0|1,0,0]=3 150 B12R1.46 CSC1=CC=C(F)C=C1C(=O)O Y3969 [1,1,0,0,0,0|0,1,0]=3 151 B12R1.46 N#CC1=CC=C(F)C=C1C(=O)O 7258AB [1,1,0,0,0,0|2,0,0]=4 152 B12R1.46 N#CC1=CC=C(I)C=C1C(=O)O 9673AA [1,1,0,0,0,0|2,0,0]=4 153 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 1358AA [1,1,0,0,0,0|1,0,0]=3 154 B12R1.57 COC1=CC(Cl)=NC=C1C(N)=O 3651AD [1,1,0,0,0,0|2,0,0]=4 155 B12R1.57 COC1=CC(F)=CC=C1C(N)=O 3860AC [1,1,0,0,0,0|1,0,0]=3 156 B12R1.57 COC1=CC(O)=CC=C1B(O)O V6568 [1,1,0,0,0,0|1,0,1]=4 157 B12R1.57 COC1=CC(O)=CC=C1C(=O)O X8080 [1,1,0,0,0,0|0,0,0]=2 158 B12R1.57 COC1=NC(C)=CC=C1C(=O)O 8851AE [1,1,0,0,0,0|1,0,0]=3 159 B12R1.87 COC1=C(Br)C=CC=C1B(O)O Z4639 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.87 COC1=C(C)C=CC=C1B(O)O V8953 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.87 N#CC1=C(F)C=CC=C1C(=O)O 1174AD [1,1,0,0,0,0|2,0,0]=4 162 B12R1.261 CN(C)C1=CC=CC=C1C(N)=O 8190AB [1,1,0,0,0,0|2,0,0]=4 163 B12R1.261 CS(=O)C1=CC=CC=C1C(=O)O 6435AD [1,1,0,0,0,0|0,1,0]=3 164 B12R1.261 O=C(O)C1=C(B(O)O)C=CC=C1 2025AL [1,1,0,0,0,0|2,0,0]=4 165 B12R1.437 COC1=C(C(=O)O)C(=O)NC=C1 2859AJ [1,1,0,0,0,0|1,0,0]=3 166 B12R1.437 COC1=C(C(=O)O)C(I)=CC=C1 0167AC [1,1,0,0,0,0|0,0,0]=2 167 B12R1.437 COC1=C(C(C)=O)C(Br)=CC=C1 X3640 [1,1,0,0,0,0|0,0,0]=2 168 B12R1.437 COC1=C(C(N)=O)C(Cl)=CC=C1 1565AA [1,1,0,0,0,0|1,0,0]=3 169 B12R1.437 COC1=CN=CC(N)=C1C(=O)O V7889 [1,1,0,0,0,0|1,0,0]=3 170 B12R1.437 N#CC1=CC=CC(F)=C1C(=O)O 4566AC [1,1,0,0,0,0|2,0,0]=4 171 B12R1.24 CC1=C(C(=O)NN)C=CC=C1Br 8491AC [1,1,0,0,0,0|2,0,0]=4 172 B12R1.24 CC1=C(O)C(C(=O)CCl)=CC=C1 5500AJ [1,1,0,0,0,0|2,0,0]=4 173 B12R1.24 CCC(=O)C1=CC=CC(Br)=C1F 5058AA [1,1,0,0,0,0|2,0,0]=4 174 B12R1.24 CNC(=O)C1=CC=CC(C)=C1N 3743AC [1,1,0,0,0,0|2,0,0]=4 175 B12R1.24 COC(=O)C1=C(C)C(Br)=CN=C1 Z0165 [1,1,0,0,0,0|1,0,0]=3 176 B12R1.24 COC(=O)C1=C(Cl)C(O)=CC=C1 2195AA [1,1,0,0,0,0|1,0,0]=3 177 B12R1.24 COC(=O)C1=C(F)C(Br)=NC=C1 6949AJ [1,1,0,0,0,0|2,0,0]=4 178 B12R1.308 C=C(OCC)C1=C(C)C=CN=C1 W6934 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.308 C=COC(=O)C1=C(Cl)C=CC=C1 5569AL [1,1,0,0,0,0|1,0,1]=4 180 B12R1.308 CC1=CC=CC=C1C(=O)N=C=S 9070AD [1,1,0,0,0,0|1,0,1]=4 181 B12R1.308 CCCC(=O)C1=NC=CC=C1C Z8832 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.308 CCOC(=O)C1=C(C)C=CN=C1 9610AB [1,1,0,0,0,0|1,0,0]=3 183 B12R1.308 CCOC(=O)C1=C(F)C=CC=N1 0661AD [1,1,0,0,0,0|2,0,0]=4 184 B12R1.308 CCOC(=O)C1=CC=CN=C1F Z7492 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.308 CCOC(=O)C1=CN=CC=C1Cl W5867 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.308 CCOC(=O)C1=CN=CC=C1N 8692AA [1,1,0,0,0,0|2,0,0]=4 187 B12R1.308 CCOC(=O)C1=CN=CC=C1O V6744 [1,1,0,0,0,0|1,0,0]=3 188 B12R1.354 CCC(=O)C1=CC(Br)=CC=C1F V8204 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.354 CCC(=O)C1=CC(Cl)=CC=C1Br 5004AA [1,1,0,0,0,0|2,0,0]=4 190 B12R1.354 COC(=O)C1=C(Br)N=CC(C)=C1 6449AA [1,1,0,0,0,0|2,0,0]=4 191 B12R1.354 COC(=O)C1=C(N)N=CC(C)=C1 W9139 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.354 COC(=O)C1=C(O)N=CC(C)=C1 7804AE [1,1,0,0,0,0|1,0,0]=3 193 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1C 1660AJ [1,1,0,0,0,0|1,0,0]=3 194 B12R1.354 COC(=O)C1=CC(F)=CN=C1Cl 0516AF [1,1,0,0,0,0|2,0,0]=4 195 B12R1.354 COC(=O)C1=CC(N)=CC=C1I Z6900 [1,1,0,0,0,0|1,0,0]=3 196 B12R1.354 COC(=O)C1=CC(N)=CN=C1Cl V8677 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.354 COC(=O)C1=NC(Br)=CC=C1Br V6182 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1Br 3825AA [1,1,0,0,0,0|2,0,0]=4 199 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1N 3617AC [1,1,0,0,0,0|2,0,0]=4 200 B12R1.354 COC(=O)C1=NC(F)=CC=C1F 1139AD [1,1,0,0,0,0|2,0,0]=4 201 B12R1.354 COC(=O)C1=NC(O)=CC=C1Br Z8317 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.354 NNC(=O)C1=C(O)C=CC(Br)=C1 2457AE [1,1,0,0,0,0|2,0,0]=4 203 B12R1.354 NNC(=O)C1=CC(Cl)=CC=C1O C081 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.354 NNC(=O)C1=CC(O)=CC=C1O 4972AD [1,1,0,0,0,0|2,0,0]=4 205 B12R1.1703 CCC(=O)C1=C(F)C=C(F)C=C1 L067 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.1703 CCC(=O)C1=CC=C(Cl)C=C1O 8970AC [1,1,0,0,0,0|1,0,0]=3 207 B12R1.1703 CNC(=O)C1=NC=C(Br)C=C1C Y3870 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.1703 COC(=O)C1=C(C)NC(=O)C=C1 6966AJ [1,1,0,0,0,0|1,0,0]=3 209 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=N1 7851AB [1,1,0,0,0,0|2,0,0]=4 210 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=N1 1067AD [1,1,0,0,0,0|2,0,0]=4 211 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 6069AB [1,1,0,0,0,0|1,0,0]=3 212 B12R1.1703 COC(=O)C1=CC=C(Br)N=C1Cl 2363AA [1,1,0,0,0,0|2,0,0]=4 213 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Br Y4513 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.1703 COC(=O)C1=CC=C(C)N=C1C 1416AJ [1,1,0,0,0,0|1,0,0]=3 215 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1Br 3837AA [1,1,0,0,0,0|2,0,0]=4 216 B12R1.1703 COC(=O)C1=CC=C(I)C=C1C 0826AA [1,1,0,0,0,0|0,0,0]=2 217 B12R1.1703 COC(=O)C1=CC=C(I)C=C1Cl 4922AD [1,1,0,0,0,0|1,0,0]=3 218 B12R1.1703 COC(=O)C1=CC=C(N)N=C1Cl 0202AA [1,1,0,0,0,0|2,0,0]=4 219 B12R1.1703 COC(=O)C1=CN=C(C)C=C1Cl 4512AC [1,1,0,0,0,0|2,0,0]=4 220 B12R1.1703 COC(=O)C1=CN=C(Cl)N=C1C 0895AP [1,1,0,0,0,0|2,0,0]=4 221 B12R1.1703 COC(=O)C1=CN=C(N)N=C1C 7630AC [1,1,0,0,0,0|2,0,0]=4 222 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1Br 3863AA [1,1,0,0,0,0|2,0,0]=4 223 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O 7557AE [1,1,0,0,0,0|2,0,0]=4 224 B12R1.1703 O=C(CBr)C1=C(O)C=C(O)C=C1 5007AH [1,1,0,0,0,0|2,0,0]=4 225 B12R1.1703 O=C(CCl)C1=CC=C(F)C=C1O 5512AJ [1,1,0,0,0,0|2,0,0]=4 226 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O 8362AD [1,1,0,0,0,0|2,0,0]=4 227 B12R1.1703 O=C(NO)C1=C(O)C=C(Br)C=C1 6761AE [1,1,0,0,0,0|2,0,0]=4 228 B12R1.3441 COC(=O)C1=C(C)N=CN=C1C W8653 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.3441 COC(=O)C1=C(Cl)C=CC=C1N W6190 [1,1,0,0,0,0|1,0,0]=3 230 B12R1.3441 COC(=O)C1=C(I)C=CC=C1C 3528AL [1,1,0,0,0,0|0,0,0]=2 231 B12R1.3441 COC(=O)C1=C(N)N=CC=C1C 1882AC [1,1,0,0,0,0|1,0,0]=3 232 B12R1.3441 COC(=O)C1=C(O)C=CC=C1N 9834AB [1,1,0,0,0,0|0,0,0]=2 233 B14R1.95 COC(=O)C(N)C1=C(OC)C=CC=C1 4214AJ [0,1,0,0,0,1|0,0,0]=2 234 B14R1.965 CCC1=CC=CC=C1NC(=O)CCCl 1097AE [0,1,0,0,0,1|2,0,0]=4 235 B14R1.965 COC1=CC=CC=C1NC(=O)\C=N\O 7123AE [0,1,0,0,0,1|2,0,0]=4 236 B14R1.2178 COC(=O)CC1=C(F)C=CC=C1OC 5218AA [0,1,0,0,0,1|0,0,0]=2 237 B14R1.3136 COC1=CC=CC=C1CC(OC)OC 1063AQ [0,1,0,0,0,1|0,0,2]=4 238 B14R1.3279 COC1=CC=C(Cl)C=C1NC(=O)CBr 3617AD [0,1,0,0,0,1|2,0,0]=4 239 B14R1.839 COC1=CC=CC=C1C(=O)C(C)(C)C 7703AD [0,2,0,0,0,0|1,0,0]=3 240 B14R1.1153 COC(=O)C1=C(C(=O)O)C(N)=CC=C1 0774AA [0,2,0,0,0,0|2,0,0]=4 241 B14R1.1153 COC(=O)C1=C(C(=O)O)C(N)=CC=C1 5455AJ [0,2,0,0,0,0|2,0,0]=4 242 B14R1.2171 CCC1=C(C(=O)OC)C=CC=C1OC 1708AA [0,2,0,0,0,0|1,0,0]=3 243 B14R1.12530 COC(=O)C1=C(OC)C(Cl)=NC(Cl)=N1 3999AC [0,2,0,0,0,0|2,0,0]=4 244 B14R1.12530 COC(=O)C1=C(OC)C(I)=CC(Br)=C1 9573AC [0,2,0,0,0,0|0,0,0]=2 245 B14R1.263 C=CCC1=C(C(=O)OCC)C=CC=C1 1851AE [0,2,0,0,0,0|1,0,1]=4 246 B14R1.263 CCOC(=O)C1=CC=CN=C1OCC 4826AD [0,2,0,0,0,0|1,0,0]=3 247 B14R1.744 COC(=O)C1=C(CC(=O)O)C=CC=C1 1429AJ [0,2,0,0,0,0|1,0,1]=4 248 B14R1.744 O=C(CBr)C1=C(OC(F)F)C=CC=C1 2010AL [0,2,0,0,0,0|2,0,0]=4 249 B14R1.746 COC(=O)C1=CC=NC=C1C(=O)OC 9423AA [0,2,0,0,0,0|1,0,0]=3 250 B14R1.789 C#CCOC1=C(C(=O)OC)C=CC=C1 6326AE [0,2,0,0,0,0|0,0,0]=2 251 B14R1.789 C=CCOC1=CC=CC=C1C(=O)NN 6097AD [0,2,0,0,0,0|2,0,0]=4 252 B14R1.789 CCCOC1=C(C(=O)NN)C=CC=C1 6096AD [0,2,0,0,0,0|2,0,0]=4 253 B14R1.789 COC(=O)C1=CC=CC=C1C#CCO X8670 [0,2,0,0,0,0|1,0,0]=3 254 B14R1.5238 COC(=O)C1=CC(Br)=CC=C1CC#N V3281 [0,2,0,0,0,0|1,0,1]=4 255 B14R1.599 CCOC(=O)C1=CC(Cl)=CC=C1NC 3393AL [0,2,0,0,0,0|1,0,0]=3 256 B14R1.599 CCOC(=O)C1=CC(F)=CN=C1OC 3868AA [0,2,0,0,0,0|1,0,0]=3 257 B14R1.7233 CCOC(=O)C1=CN=C(Cl)C=C1NC 3856AE [0,2,0,0,0,0|2,0,0]=4 258 B14R1.7276 CCOC(=O)C1=C(C=O)C=CC=C1Cl 4035AJ [0,2,0,0,0,0|2,0,0]=4 259 B14R1.707 COC(=O)C1=CC(Br)=CC=C1C(Br)Br Z9329 [0,2,0,0,0,0|2,0,0]=4 260 B14R1.707 COC(=O)C1=CC(C)=CC=C1B(O)O X1937 [0,2,0,0,0,0|2,0,0]=4 261 B14R1.745 COC(=O)C1=C(S(C)(=O)=O)C=CC=C1 6728AD [0,2,0,0,0,0|0,1,0]=3 262 B14R1.1126 COC(=O)C1=CC=C(Cl)C=C1B(O)O V9725 [0,2,0,0,0,0|2,0,0]=4 263 B14R1.1164 COC(=O)C1=C(B(O)O)C=CC=C1F X1928 [0,2,0,0,0,0|2,0,0]=4 264 B14R1.1164 COC(=O)C1=C(C)C=CC=C1B(O)O X1936 [0,2,0,0,0,0|2,0,0]=4 265 B14R1.1164 COC(=O)C1=C(N)C=CC=C1[N+](=O)[O-] 8381AB [0,2,0,0,0,0|2,0,0]=4 266 B14R1.2287 COC(=O)C1=C(OC)C=C(N)C(Br)=C1 2024AA [0,2,0,0,0,0|0,0,0]=2 267 B14R1.2334 COC(=O)C1=CN=C(OC)N=C1OC W3352 [0,2,0,0,0,0|2,0,0]=4 268 B14R1.2334 COC1=CC(OC)=C(C(=O)CBr)C=C1 9114AB [0,2,0,0,0,0|2,0,0]=4 269 B14R1.2334 COC1=CC(OC)=C(C(=O)CCl)C=C1 4155AE [0,2,0,0,0,0|2,0,0]=4 270 B14R1.2315 CCC(=O)C1=CC(OC)=CC=C1OC Y9533 [0,2,0,0,0,0|1,0,0]=3 271 B14R1.2315 COC(=O)C1=C(OC)C=CC(OC)=C1 7298AD [0,2,0,0,0,0|0,0,0]=2 272 B14R1.2315 COC(=O)C1=CC(C#N)=CC=C1OC Z1799 [0,2,0,0,0,0|0,0,0]=2 273 B14R1.2315 COC(=O)C1=CC(CN)=CC=C1OC Z6778 [0,2,0,0,0,0|0,0,0]=2 274 B14R1.2315 COC1=CC(C(=O)CCl)=C(OC)C=C1 0945AD [0,2,0,0,0,0|2,0,0]=4 275 B12R2.1 O\N=C1/COC2=CC=CC=C21 0178AF [1,0,0,1,0,0|2,0,0]=4 276 B12R2.24 CC1COC2=CC=CC=C2N1 0197AE [1,0,0,1,0,0|2,0,0]=4 277 B12R2.41 C1=CC2=C(C=C1)NCCOC2 9588AH [1,0,0,1,0,0|1,0,1]=4 278 B12R2.41 C1=CC=C2OCCCNC2=C1 9283AJ [1,0,0,1,0,0|2,0,0]=4 279 B12R2.41 C1=CC=C2OCCNCC2=C1 7409AD [1,0,0,1,0,0|1,0,1]=4 280 B12R2.41 C1=CC=C2OCCNCC2=C1 9326AA [1,0,0,1,0,0|1,0,1]=4 281 B12R2.315 COC1=CC=CC2=C1CNC2 5316AA [1,0,0,1,0,0|1,0,1]=4 282 B12R2.315 COC1=CC=CC2=C1NCC2 3908AB [1,0,0,1,0,0|2,0,0]=4 283 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 9076AB [1,0,0,1,0,0|1,0,0]=3 284 B12R2.2028 C[C@H]1NC(=O)C2=C1C=CC=C2 8667AH [1,0,0,1,0,0|2,0,0]=4 285 B12R2.2028 O=C1OC(Cl)C2=C1C=CC=C2 P813 [1,0,0,1,0,0|2,0,0]=4 286 B12R2.203 CC1=C2C(=O)NCC2=CC=C1 3731AJ [1,0,0,1,0,0|1,0,0]=3 287 B12R2.203 O=C1CCC2=C1C(I)=CC=C2 9520AB [1,0,0,1,0,0|2,0,0]=4 288 B12R2.203 O=C1NCC2=C1C(F)=CC=C2 Y1611 [1,0,0,1,0,0|2,0,0]=4 289 B12R2.203 O=C1NCC2=C1C(O)=CC=C2 0816AA [1,0,0,1,0,0|1,0,0]=3 290 B14R2.95 COC(=O)C1=CSC2=CC=CC=C21 Z3262 [0,0,0,1,0,1|0,1,1]=4 291 B14R2.95 COC(=O)C1CCC2=CC=CC=C21 2360AB [0,0,0,1,0,1|1,0,0]=3 292 B14R2.95 COC(=O)C1CNC2=C1C=CC=C2 3108AA [0,0,0,1,0,1|1,0,0]=3 293 B14R2.95 COC(=O)C1CNC2=CC=CC=C21 5260AB [0,0,0,1,0,1|1,0,0]=3 294 B14R2.11684 COC1=C2NC(=O)COC2=CC=C1 Z6825 [0,0,0,1,0,1|2,0,0]=4 295 B14R2.11684 COC1=CC=CC2=C1CC(=O)CC2 Z2238 [0,0,0,1,0,1|1,0,0]=3 296 B14R2.11690 COC1=CC=CC2=C1C(=O)C(=O)N2 Y7009 [0,1,0,1,0,0|2,0,0]=4 297 B14R2.685 NC1=CC=CC2=C1CCCCC2=O 3729AC [0,1,0,1,0,0|2,0,0]=4 298 B14R2.10782 COC(=O)C1=C2CCNC2=CC=C1 1353AJ [0,1,0,1,0,0|1,0,0]=3 299 B14R2.10782 COC(=O)C1=C2N=CNC2=CC=C1 Z4672 [0,1,0,1,0,0|1,0,1]=4 300 B14R2.10782 COC(=O)C1=C2OC=NC2=CC=C1 1714AA [0,1,0,1,0,0|0,0,1]=3 301 B14R2.10782 COC(=O)C1=C2SC=NC2=CC=C1 Z3830 [0,1,0,1,0,0|0,1,1]=4 302 B14R2.10782 COC(=O)C1=CC=CC2=C1C=CS2 0232AA [0,1,0,1,0,0|1,0,1]=4 303 B14R2.10782 COC(=O)C1=CC=CC2=C1NCC2 Z7367 [0,1,0,1,0,0|1,0,0]=3 304 B14R2.10782 COC(=O)C1=CC=CC2=C1NN=C2 6378AC [0,1,0,1,0,0|1,0,1]=4 305 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 X4898 [0,1,0,1,0,0|2,0,0]=4 306 B14R2.8719 O=C1CCCCC2=CC(Br)=CC=C12 8652AA [0,1,0,1,0,0|2,0,0]=4 307 B14R2.8719 O=C1CCCCC2=CC(Cl)=CC=C12 5025AH [0,1,0,1,0,0|2,0,0]=4 308 B14R2.5637 O=C1CCCCC2=C1C=C(Cl)C=C2 0885AB [0,1,0,1,0,0|2,0,0]=4 309 B14R2.5637 O=C1CCCOC2=CC=C(Br)C=C12 Y9455 [0,1,0,1,0,0|1,0,0]=3 310 B10R1.39 COC1=CSC=C1C(N)=O Y9743 [1,0,0,0,1,0|2,0,0]=4 311 B10R1.149 CCC(=O)C1=C(C)SC=C1 Z6242 [1,0,0,0,1,0|2,0,0]=4 312 B10R1.149 COC(=O)C1=C(Br)OC=C1 0182AB [1,0,0,0,1,0|2,0,0]=4 313 B10R1.149 COC(=O)C1=C(C)C=NO1 8607AD [1,0,0,0,1,0|2,0,0]=4 314 B10R1.149 COC(=O)C1=C(C)N=CO1 1472AB [1,0,0,0,1,0|2,0,0]=4 315 B10R1.149 COC(=O)C1=C(C)ON=C1 0060AA [1,0,0,0,1,0|2,0,0]=4 316 B10R1.149 COC(=O)C1=CSC=C1N 0704AC [1,0,0,0,1,0|2,0,0]=4 317 B10R1.149 COC(=O)C1=NNC=C1C 0628AC [1,0,0,0,1,0|2,0,0]=4 318 B14R1.863 COC1=CC=CC=C1NCC(=O)NN 8923AC [0,0,0,0,0,2|2,0,0]=4