0 B11R1.280 CCC1=C(F)C=CC(C#N)=C1 A716 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 COC1=CC(C#N)=CC=C1Cl 6137AJ [0,0,0,0,0,0|2,0,1]=3 2 B11R1.280 COC1=CC(C=O)=CC=C1I 6187AJ [0,0,0,0,0,0|2,0,0]=2 3 B11R1.280 COC1=CC(CN)=CC=C1C 1106AL [0,0,0,0,0,0|2,0,1]=3 4 B11R1.280 COC1=CC(CN)=CC=C1F 2724AL [0,0,0,0,0,0|2,0,1]=3 5 B11R1.280 COC1=CC(CN)=CC=C1F V6285 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.280 COC1=CC(OC)=C(S)C=C1 6358AD [0,0,0,0,0,0|1,1,1]=3 7 B11R1.280 COC1=CC(OC)=NC=C1N 2585AJ [0,0,0,0,0,0|3,0,1]=4 8 B11R1.280 COC1=CC=C(F)C(SC)=C1 Z0870 [0,0,0,0,0,0|2,1,1]=4 9 B11R1.280 COC1=NC(OC)=C(N)C=C1 9994AE [0,0,0,0,0,0|3,0,1]=4 10 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 4410AA [0,0,0,0,0,0|4,0,0]=4 11 B11R1.280 N#CC1=CC(C=O)=CC=C1Cl Y5987 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.280 N#CC1=CC(C=O)=CC=C1N 7768AD [0,0,0,0,0,0|4,0,0]=4 13 B11R1.280 O=CC1=CC(C=O)=C(O)C=C1 X8016 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.280 O=CC1=CC(CO)=CC=C1O 9159AE [0,0,0,0,0,0|3,0,1]=4 15 B10R1.30 CNC1=CC(Br)=CC=C1F Z7702 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.30 CNC1=CC(Cl)=CC=C1Br Z8005 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.30 CNC1=CC(Cl)=CC=C1C Z7997 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.30 CNC1=CC(Cl)=CC=C1Cl Z8087 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.30 COC1=C(Br)C=CC(Br)=N1 Y2450 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.30 COC1=C(Br)N=CC(N)=C1 Y3279 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.30 COC1=CC(Br)=CN=C1Br Z7504 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.30 COC1=CC(Br)=CN=C1C 2479AA [1,0,0,0,0,0|3,0,0]=4 23 B10R1.30 COC1=CC(Br)=CN=C1I V9442 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.30 COC1=CC(Br)=CN=C1O Z8058 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.30 COC1=CC(C)=CN=C1Cl Z8217 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.30 COC1=CC(Cl)=CC=C1Cl X8187 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.30 COC1=CC(Cl)=CN=C1Cl 1163AD [1,0,0,0,0,0|3,0,0]=4 28 B10R1.30 COC1=CC(Cl)=CN=C1N Z8751 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.30 COC1=CC(F)=CC=C1F F188 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.30 COC1=CC(I)=CC=C1N V5279 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.30 COC1=CC(N)=CC=C1I 2055AA [1,0,0,0,0,0|2,0,0]=3 32 B10R1.30 COC1=NC(Br)=CN=C1O Y5646 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.30 CSC1=CC(Br)=CC=C1C Z0186 [1,0,0,0,0,0|2,1,0]=4 34 B10R1.30 CSC1=CC(C)=CC=C1Br Z0188 [1,0,0,0,0,0|1,1,1]=4 35 B10R1.30 CSC1=CC(F)=CC=C1Br V3387 [1,0,0,0,0,0|2,1,0]=4 36 B10R1.30 NCC1=C(O)C=CC(N)=C1 2407AC [1,0,0,0,0,0|3,0,0]=4 37 B10R1.30 NCC1=CC(Br)=CC=C1O W7148 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.172 CCC1=CC(CO)=CC=C1 Z0865 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.172 CCC1=CC=CC(CC)=C1 9285AJ [1,0,0,0,0,0|1,0,2]=4 40 B10R1.172 CCC1=CC=CC(NN)=C1 8644AH [1,0,0,0,0,0|3,0,0]=4 41 B10R1.172 CNC1=CC(OC)=CN=C1 8852AH [1,0,0,0,0,0|2,0,1]=4 42 B10R1.172 CNC1=CC=CC(NC)=C1 4379AJ [1,0,0,0,0,0|2,0,1]=4 43 B10R1.172 COC1=CN=CC(CO)=C1 Z1132 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.172 COC1=NC(CCl)=CC=C1 5471AB [1,0,0,0,0,0|2,0,1]=4 45 B10R1.172 COC1=NC=CC(CCl)=C1 0006AB [1,0,0,0,0,0|2,0,1]=4 46 B10R1.172 COC1=NC=CC(CCl)=C1 4431AB [1,0,0,0,0,0|2,0,1]=4 47 B10R1.172 COC1=NC=CC(SC)=C1 Z0163 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.176 CC1=C(Cl)C=CC(NN)=C1 8757AH [1,0,0,0,0,0|3,0,0]=4 49 B10R1.176 CC1=C(O)C=CC(CO)=C1 9583AA [1,0,0,0,0,0|1,0,1]=3 50 B10R1.176 CC1=C(O)C=CC(CO)=N1 6598AB [1,0,0,0,0,0|2,0,1]=4 51 B10R1.176 CC1=CC(C=O)=CN=C1Br Z0993 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.176 CC1=CC(CN)=CC=C1Br W3251 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.176 CC1=CC(CO)=CC=C1Cl Z0082 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.176 CC1=CC(CO)=CC=C1N 2117AF [1,0,0,0,0,0|2,0,1]=4 55 B10R1.176 CC1=CC(NN)=CC=C1Cl 8758AH [1,0,0,0,0,0|3,0,0]=4 56 B10R1.176 CC1=CC=C(C=O)C=C1I 8694AB [1,0,0,0,0,0|3,0,0]=4 57 B10R1.176 CC1=CC=C(CBr)C=C1C W9680 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.176 CC1=NC(C=O)=CC=C1F 4137AC [1,0,0,0,0,0|3,0,0]=4 59 B10R1.176 CCC1=CC(C)=C(C)C=C1 6497AL [1,0,0,0,0,0|1,0,2]=4 60 B10R1.176 CCC1=CC=C(N)C(O)=C1 1522AJ [1,0,0,0,0,0|1,0,2]=4 61 B10R1.176 COC1=CC=C(I)C(O)=C1 5618AB [1,0,0,0,0,0|2,0,1]=4 62 B10R1.176 CSC1=CC=C(Br)C(C)=C1 Z1061 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.176 N#CC1=CC=C(N)C(O)=C1 Z4880 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.176 N#CC1=CC=C(O)C(N)=C1 Y7551 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.176 OCC1=CC(O)=C(O)C=C1 5062AB [1,0,0,0,0,0|1,0,1]=3 66 B10R1.176 OCC1=CC=C(Cl)C(O)=C1 Y3989 [1,0,0,0,0,0|2,0,1]=4 67 B12R1.56 COC1=C(Br)C=CC(B(O)O)=C1 X1809 [0,1,0,0,0,0|3,0,0]=4 68 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 X9489 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 9083AD [0,1,0,0,0,0|2,0,0]=3 70 B12R1.56 COC1=CC(=C(N)N)C=CC1=O 8532AC [0,1,0,0,0,0|1,0,1]=3 71 B12R1.56 COC1=CC(B(O)O)=CC=C1O V3926 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.56 COC1=CC(C(N)=O)=CC=C1Br V3839 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.56 COC1=CC([C@@H](C)N)=CC=C1F X9126 [0,1,0,0,0,0|1,0,2]=4 74 B12R1.56 COC1=CC([C@@H](C)N)=CC=C1F X9637 [0,1,0,0,0,0|1,0,2]=4 75 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1[O-] X4407 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.56 COC1=CC([N+](=O)[O-])=CN=C1O W8291 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.56 COC1=NC(C(=O)O)=CC=C1Br 3836AA [0,1,0,0,0,0|3,0,0]=4 78 B12R1.56 CSC1=CC(C(=O)O)=CC=C1F Z0258 [0,1,0,0,0,0|2,1,0]=4 79 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 3452AA [0,1,0,0,0,0|2,0,1]=4 80 B12R1.78 CCC1=CC=C(OC)C(OC)=C1 Z4915 [0,1,0,0,0,0|0,0,2]=3 81 B12R1.78 COC1=C(CO)C=C(C=O)C=C1 9440AE [0,1,0,0,0,0|3,0,0]=4 82 B12R1.78 COC1=C(OC)C=C(NN)C=C1 5336AB [0,1,0,0,0,0|2,0,0]=3 83 B12R1.78 COC1=C(OC)N=C(C=O)C=C1 Z6848 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.78 COC1=C(OC)N=C(CO)C=C1 6314AE [0,1,0,0,0,0|2,0,1]=4 85 B12R1.78 COC1=C(OC)N=CC(CO)=C1 9116AC [0,1,0,0,0,0|2,0,1]=4 86 B12R1.78 COC1=C(SC)C=CC(C=O)=C1 2317AJ [0,1,0,0,0,0|1,1,0]=3 87 B12R1.78 COC1=CC(C#N)=CN=C1OC Z7347 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.78 COC1=CC(C=O)=CC=C1C#N Z0386 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.78 COC1=CC(C=O)=CN=C1OC Y6600 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.78 COC1=CN=C(CO)C=C1OC 8722AH [0,1,0,0,0,0|2,0,1]=4 91 B12R1.286 CCOC1=CC(OC)=C(Br)C=C1 V9661 [0,1,0,0,0,0|1,0,2]=4 92 B12R1.286 COC1=C(O)C=CC(CC#N)=C1 3819AE [0,1,0,0,0,0|0,0,2]=3 93 B12R1.300 COC1=CC(Cl)=C(N)C(OC)=C1 2753AC [0,1,0,0,0,0|2,0,1]=4 94 B12R1.300 COC1=CC(OC)=C(Br)C(C)=C1 0452AQ [0,1,0,0,0,0|2,0,1]=4 95 B12R1.449 COC1=C(Br)C=C(O)C(C=O)=C1 6112AJ [0,1,0,0,0,0|2,0,0]=3 96 B12R1.449 COC1=C(O)C=C(Cl)C(C=O)=C1 6127AD [0,1,0,0,0,0|1,0,0]=2 97 B12R1.449 COC1=CC(C=O)=C(O)C=C1O 4923AH [0,1,0,0,0,0|1,0,0]=2 98 B12R1.449 COC1=CC(OC)=C(Br)C=C1N 8708AA [0,1,0,0,0,0|2,0,1]=4 99 B12R1.449 COC1=CC(OC)=C(N)C=C1F 6577AD [0,1,0,0,0,0|2,0,1]=4 100 B12R1.654 COC1=CC=C(Br)C(OC)=C1Cl Z8683 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.654 COC1=CC=C(Br)C(OC)=C1F Z0400 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.654 COC1=CC=C(N)C(OC)=C1F Z0328 [0,1,0,0,0,0|2,0,1]=4 103 B12R2.44 CNC1=CC2=C(C=C1)OCO2 4411AJ [0,0,0,1,0,0|1,0,1]=3 104 B12R2.44 N#CC1=CC2=C(C=C1)OCC2 0616AF [0,0,0,1,0,0|2,0,1]=4 105 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 9768AB [0,0,0,1,0,0|2,0,1]=4 106 B12R2.44 O=CC1=CC=C2N=COC2=C1 3572AC [0,0,0,1,0,0|2,0,1]=4 107 B9R1.2 C=CC1=CC(Br)=CN=C1 9938AA [2,0,0,0,0,0|2,0,0]=4 108 B9R1.2 C=CC1=CC(Br)=NC=C1 0785AC [2,0,0,0,0,0|2,0,0]=4 109 B9R1.2 C=CC1=CC(C)=CC=C1 6123AL [2,0,0,0,0,0|0,0,0]=2 110 B9R1.2 C=CC1=CC(C)=CC=N1 6788AA [2,0,0,0,0,0|1,0,0]=3 111 B9R1.2 C=CC1=NC=CC(Cl)=C1 6889AC [2,0,0,0,0,0|2,0,0]=4 112 B9R1.2 C=CC1=NC=CC(N)=C1 0535AA [2,0,0,0,0,0|2,0,0]=4 113 B9R1.2 CC1=NC=CC(C=O)=C1 9828AC [2,0,0,0,0,0|2,0,0]=4 114 B9R1.2 CCC1=CC(F)=CC=C1 0760AC [2,0,0,0,0,0|2,0,0]=4 115 B9R1.2 CNC1=CC(N)=CC=C1 6981AB [2,0,0,0,0,0|2,0,0]=4 116 B9R1.2 COC1=CC(=O)NC=C1 W6732 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.2 COC1=CC(C)=CN=C1 2251AC [2,0,0,0,0,0|1,0,1]=4 118 B9R1.2 COC1=CN=CC(I)=C1 1202AF [2,0,0,0,0,0|2,0,0]=4 119 B9R1.2 COC1=CN=CC(N)=C1 2136AJ [2,0,0,0,0,0|2,0,0]=4 120 B9R1.2 COC1=C[N+]([O-])=CC=C1 7428AA [2,0,0,0,0,0|2,0,0]=4 121 B9R1.2 NC1=CC(C=O)=CC=C1 Y7351 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.2 NC1=CC=CC(C=O)=C1 X3987 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.2 O=CC1=NC=CC(O)=C1 1364AA [2,0,0,0,0,0|2,0,0]=4 124 B9R1.2 OC1=CC=CC(CBr)=C1 Y9989 [2,0,0,0,0,0|1,0,1]=4 125 B9R1.15 C#CC1=C(O)C=CC=C1 7065AB [2,0,0,0,0,0|1,0,1]=4 126 B9R1.15 CCC1=CC=CC=C1C Z4941 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.15 CNC1=CC=CC=C1Br 0544AC [2,0,0,0,0,0|2,0,0]=4 128 B9R1.15 COC1=C(Br)C=CN=C1 X8928 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.15 COC1=C(Br)C=CN=C1 X9457 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.15 COC1=C(C)C=NC=C1 V9875 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.15 COC1=C(N)C=CN=C1 Y9329 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.15 COC1=C(O)C=NC=C1 7687AA [2,0,0,0,0,0|1,0,0]=3 133 B9R1.15 COC1=C(O)N=CN=C1 Y4974 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.15 COC1=CC=NC=C1I 4852AC [2,0,0,0,0,0|2,0,0]=4 135 B9R1.15 COC1=CN=CN=C1O 1033AC [2,0,0,0,0,0|2,0,0]=4 136 B9R1.15 COC1=NC=CC=C1F Z7565 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.69 CC1=C(S)C=CC(F)=C1 0479AF [2,0,0,0,0,0|1,1,0]=4 138 B9R1.69 CC1=CC(C)=NC=C1O 8941AD [2,0,0,0,0,0|1,0,1]=4 139 B9R1.69 CC1=CC(Cl)=NC=C1O Y3887 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.69 CC1=CC=C(I)C(O)=C1 1743AJ [2,0,0,0,0,0|1,0,1]=4 141 B9R1.69 CC1=NC(F)=CC=C1O Y3898 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.69 NC1=C(O)C=CC(O)=C1 0619AB [2,0,0,0,0,0|2,0,0]=4 143 B9R1.69 NC1=CC(N)=C(O)C=C1 6564AC [2,0,0,0,0,0|2,0,0]=4 144 B9R1.69 NC1=CC(N)=C(O)C=C1 A638 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.69 OC1=CC(Br)=C(O)C=C1 8644AB [2,0,0,0,0,0|2,0,0]=4 146 B9R1.1 C=CC1=CC=C(C)N=C1 Y1711 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.1 C=CC1=NC=C(Br)C=C1 1393AB [2,0,0,0,0,0|2,0,0]=4 148 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [2,0,0,0,0,0|1,0,1]=4 149 B11R1.8 COC1=C(O)C(C)=CC(Br)=C1 0959AF [1,1,0,0,0,0|1,0,0]=3 150 B11R1.37 COC1=C(C#N)C=CC(O)=C1 2829AJ [1,1,0,0,0,0|2,0,0]=4 151 B11R1.37 COC1=C(CO)C=NC(Cl)=C1 3373AD [1,1,0,0,0,0|2,0,0]=4 152 B11R1.37 COC1=C(OC)N=C(C)C=C1 0928AF [1,1,0,0,0,0|1,0,1]=4 153 B11R1.37 COC1=C(OC)N=C(N)C=C1 Z9380 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.37 COC1=CC(Br)=CN=C1OC Z0659 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.37 COC1=CC(F)=CC=C1SC Y3748 [1,1,0,0,0,0|1,1,0]=4 156 B11R1.37 COC1=CC(I)=CN=C1OC Z7486 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.37 COC1=CC(O)=CN=C1OC 0597AD [1,1,0,0,0,0|2,0,0]=4 158 B11R1.37 COC1=CC=C(Cl)C=C1OC V3700 [1,1,0,0,0,0|1,0,0]=3 159 B11R1.72 COC1=C(Br)C(C)=CC=C1F Y3881 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.72 COC1=C(Cl)C(Br)=CC=C1Cl Z0268 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.72 COC1=C(Cl)C(C)=CC=C1F 8640AD [1,1,0,0,0,0|1,0,1]=4 162 B11R1.72 COC1=C(F)C(C)=CC=C1Br Y3930 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.72 COC1=C(F)C(Cl)=CC=C1F 8628AD [1,1,0,0,0,0|2,0,0]=4 164 B11R1.72 COC1=C(F)C(F)=CC=C1Br Z1026 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.72 COC1=C(F)C(F)=CC=C1N Z7494 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.182 CCOC1=C(N)C=CC(F)=C1 5982AD [1,1,0,0,0,0|2,0,0]=4 167 B11R1.182 CCOC1=CC(Br)=CC=C1C Z0931 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.182 CCOC1=CC(C)=CC=C1Br Z1243 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.182 CCOC1=CC(N)=CC=C1Cl V8087 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.182 CNCC1=CC(Cl)=CC=C1O 6130AJ [1,1,0,0,0,0|2,0,0]=4 171 B11R1.277 COC1=C(Br)C=C(N)C(N)=C1 1698AA [1,1,0,0,0,0|2,0,0]=4 172 B11R1.277 COC1=C(Cl)C=C(N)C(C)=C1 V6955 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.277 COC1=C(N)C=C(F)C(F)=C1 2573AJ [1,1,0,0,0,0|2,0,0]=4 174 B11R1.277 COC1=CC(Cl)=C(Br)C=C1N Z6508 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.277 COC1=CC(F)=C(Br)C=C1Cl V8886 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.277 COC1=CC(N)=C(F)C=C1F 6897AC [1,1,0,0,0,0|2,0,0]=4 177 B11R1.277 COC1=CC(N)=C(N)C=C1Br 1019AB [1,1,0,0,0,0|2,0,0]=4 178 B11R1.277 COC1=CC(N)=C(N)C=C1Br 1897AA [1,1,0,0,0,0|2,0,0]=4 179 B11R1.9 COC1=CC(C)=CC(C#N)=C1 6455AB [1,1,0,0,0,0|1,0,1]=4 180 B11R1.9 COC1=CC(CBr)=CC(Br)=C1 8825AB [1,1,0,0,0,0|1,0,1]=4 181 B11R1.9 COC1=CC(CN)=CC(F)=C1 5883AJ [1,1,0,0,0,0|1,0,1]=4 182 B11R1.9 COC1=CC(CO)=CC(C)=C1 3394AA [1,1,0,0,0,0|1,0,1]=4 183 B11R1.9 COC1=CC(Cl)=CC(CCl)=C1 9785AH [1,1,0,0,0,0|1,0,1]=4 184 B11R1.9 COC1=CC(F)=CC(CO)=C1 V0284 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.189 C=CCC1=CC(C#N)=CC=C1 6708AE [1,1,0,0,0,0|2,0,0]=4 186 B11R1.189 CCOC1=CC(C=O)=NC=C1 8485AA [1,1,0,0,0,0|2,0,0]=4 187 B11R1.189 CCOC1=CN=CC(C=O)=C1 6358AJ [1,1,0,0,0,0|2,0,0]=4 188 B11R1.189 COC1=CC=CC(CNN)=C1 3225AC [1,1,0,0,0,0|1,0,1]=4 189 B11R1.189 COC1=CC=CC(CON)=C1 4968AB [1,1,0,0,0,0|1,0,1]=4 190 B11R1.189 COC1=CN=CC(\C=N\O)=C1 8547AC [1,1,0,0,0,0|2,0,0]=4 191 B11R1.266 CCC1=CC(C(C)=O)=CC=C1 1395AB [1,1,0,0,0,0|1,0,1]=4 192 B11R1.266 COC1=CC(C(C)=O)=NC=C1 8865AB [1,1,0,0,0,0|1,0,1]=4 193 B11R1.266 COC1=CC([C@@H](C)N)=CC=C1 W9042 [1,1,0,0,0,0|0,0,2]=4 194 B11R1.266 COC1=CC([C@@H](C)O)=CC=C1 Z2103 [1,1,0,0,0,0|0,0,2]=4 195 B11R1.266 COC1=CC([C@H](C)N)=CC=C1 W8640 [1,1,0,0,0,0|0,0,2]=4 196 B11R1.266 COC1=CC=CC([N+](=O)[O-])=C1 F824 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.266 COC1=CN=CC(C(C)=O)=C1 X7999 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.267 COC1=C(C)C(C=O)=CC=C1 5903AJ [1,1,0,0,0,0|1,0,0]=3 199 B11R1.267 COC1=C(C)C(C=O)=CN=C1 Y3694 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.267 COC1=C(N)C(C=O)=CC=C1 W7973 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.267 COC1=CC=CC(CN)=C1O 4232AD [1,1,0,0,0,0|1,0,1]=4 202 B11R1.267 COC1=CC=CC(OC)=C1N V5580 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.267 COC1=CC=CC(OC)=C1S 8614AD [1,1,0,0,0,0|1,0,1]=4 204 B11R1.267 COC1=NC=CC(C=O)=C1Cl Z0994 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.14 CC1=CC(C=O)=CC(C)=C1F 2722AL [1,1,0,0,0,0|2,0,0]=4 206 B11R1.14 CC1=CC(C=O)=CC(F)=C1F 0458AA [1,1,0,0,0,0|2,0,0]=4 207 B11R1.14 O=CC1=CC(O)=C(O)C(Cl)=C1 Z2714 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.14 O=CC1=CC(O)=C(O)C(O)=C1 I509 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.21 CC1=C(C)C=C(C(N)=S)C=C1 2091AJ [1,1,0,0,0,0|2,0,0]=4 210 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 5252AH [1,1,0,0,0,0|2,0,0]=4 211 B11R1.21 NC(=O)C1=CC(O)=C(O)C=C1 9447AJ [1,1,0,0,0,0|1,0,0]=3 212 B11R1.21 NC1=CC(C(=O)O)=CC=C1O D461 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.192 C=CCC1=CC(Cl)=C(Cl)C=C1 7092AD [1,1,0,0,0,0|2,0,0]=4 214 B11R1.192 CNCC1=CC=C(O)C(O)=C1 6058AJ [1,1,0,0,0,0|0,0,2]=4 215 B11R1.278 CC1=C(C)C(C=O)=CC=C1Br Y3666 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.278 CC1=C(C)C(C=O)=CC=C1F V5506 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.278 O=CC1=CC=C(O)C(Cl)=C1Cl 8605AA [1,1,0,0,0,0|2,0,0]=4 218 B11R1.279 COC1=CN=C(C=O)C=C1O 6931AD [1,1,0,0,0,0|2,0,0]=4 219 B11R1.279 COC1=NC=C(C=O)C=C1C Y3925 [1,1,0,0,0,0|2,0,0]=4 220 B13R1.49 CCC(=O)C1=CC=C(O)C(OC)=C1 Q284 [0,2,0,0,0,0|0,0,1]=3 221 B13R1.49 CNC(=O)C1=CC=C(Br)C(OC)=C1 Z6944 [0,2,0,0,0,0|1,0,1]=4 222 B13R1.49 COC(=O)C1=CC=C(Br)C(OC)=C1 W3727 [0,2,0,0,0,0|1,0,1]=4 223 B13R1.49 COC1=CC(C(=O)CBr)=CC=C1O 8316AE [0,2,0,0,0,0|0,0,1]=3 224 B13R1.298 COC1=C(O)C(Cl)=CC(B(O)O)=C1 V9152 [0,2,0,0,0,0|2,0,0]=4 225 B13R1.354 CCOC1=C(O)C=CC(C(=O)O)=C1 5314AE [0,2,0,0,0,0|1,0,0]=3 226 B13R1.651 COC1=C(C)C=C(F)C(C(=O)O)=C1 Z1818 [0,2,0,0,0,0|2,0,0]=4 227 B13R1.651 COC1=C(F)C=C(Br)C(C(=O)O)=C1 Z1784 [0,2,0,0,0,0|2,0,0]=4 228 B13R1.651 COC1=C(N)C=C(F)C(C(=O)O)=C1 Z1758 [0,2,0,0,0,0|2,0,0]=4 229 B13R1.3091 COC1=C(CO)C=CC([N+](=O)[O-])=C1 5080AH [0,2,0,0,0,0|2,0,0]=4 230 B13R1.3091 COC1=C(OC)C=C(C(C)O)C=C1 4922AJ [0,2,0,0,0,0|0,0,2]=4 231 B13R1.3091 COC1=C(OC)C=C(C(N)=O)C=C1 7629AA [0,2,0,0,0,0|1,0,0]=3 232 B13R1.3091 COC1=CC(C(=O)O)=CC=C1CBr 2516AJ [0,2,0,0,0,0|2,0,0]=4 233 B13R1.3091 COC1=CC(C(=O)O)=CN=C1OC V7667 [0,2,0,0,0,0|2,0,0]=4 234 B13R1.3091 COC1=CC=C(C(=N)N)C=C1OC 2087AJ [0,2,0,0,0,0|1,0,0]=3 235 B13R1.3230 COC1=C(F)C(C(=O)O)=CC=C1Br V4082 [0,2,0,0,0,0|2,0,0]=4 236 B13R1.99 COC1=CC(C=O)=CC=C1[N+](=O)[O-] 2531AC [0,2,0,0,0,0|1,0,1]=4 237 B13R1.99 COC1=CC(CO)=CC=C1B(O)O Z1523 [0,2,0,0,0,0|1,0,1]=4 238 B13R1.355 CCOC1=CC(CO)=CC=C1OC X6441 [0,2,0,0,0,0|1,0,1]=4 239 B13R1.386 COC1=C(OC)C=C(CCN)C=C1 7168AE [0,2,0,0,0,0|0,0,2]=4 240 B13R1.434 COC1=C(OC)C(Br)=CC(C#N)=C1 2383AL [0,2,0,0,0,0|1,0,1]=4 241 B13R1.1249 CCOC1=CC=C(C=O)C=C1OC X6487 [0,2,0,0,0,0|1,0,0]=3 242 B13R1.2200 COC1=C(OC)C=C(C=O)C(Cl)=C1 X5177 [0,2,0,0,0,0|1,0,0]=3 243 B13R1.2200 COC1=CC(Br)=C(CO)C=C1OC 7842AB [0,2,0,0,0,0|1,0,1]=4 244 B13R1.2200 COC1=CC(O)=C(C=O)C=C1OC 5566AJ [0,2,0,0,0,0|1,0,0]=3 245 B13R1.2200 COC1=CC(OC)=C(OC)C=C1Br 0326AB [0,2,0,0,0,0|1,0,1]=4 246 B13R1.2422 COC1=C(OC)C(Cl)=C(CBr)C=C1 0545AF [0,2,0,0,0,0|1,0,1]=4 247 B13R1.97 CC(C)OC1=CC(C=O)=CC=C1F Y3928 [0,2,0,0,0,0|2,0,0]=4 248 B13R1.575 COC1=C(O)C=CC(\C=C\CO)=C1 6307AB [0,2,0,0,0,0|0,0,0]=2 249 B13R1.433 COC1=CC(C#N)=CC(OC)=C1O 8789AE [0,2,0,0,0,0|1,0,1]=4 250 B13R1.2277 COC1=CC=C(O)C(OC)=C1OC 0137AB [0,2,0,0,0,0|1,0,1]=4 251 B11R1.1 CO\C=C\C1=CC=C(Br)C=C1 8849AB [0,0,1,1,0,0|1,0,0]=3 252 B11R2.36 FC1=CC2=C(C=C1)OCC2 1865AB [1,0,0,1,0,0|2,0,0]=4 253 B11R2.36 OC1=CC=C2CCOC2=C1 W4735 [1,0,0,1,0,0|2,0,0]=4 254 B11R2.36 OC1=CC=C2OCCC2=C1 X7949 [1,0,0,1,0,0|2,0,0]=4 255 B11R2.190 C=CC1=CC=C2CCC2=C1 6995AC [1,0,0,1,0,0|1,0,0]=3 256 B11R2.190 OCC1=CC=C2C=CC2=C1 L732 [1,0,0,1,0,0|2,0,0]=4 257 B13R2.430 CC(N)C1=CC=C2OCOC2=C1 1241AD [0,1,0,1,0,0|0,0,2]=4 258 B13R2.430 C[C@@H](N)C1=CC2=C(C=C1)OCO2 8347AH [0,1,0,1,0,0|0,0,2]=4 259 B13R2.430 C[C@H](N)C1=CC2=C(C=C1)OCO2 8391AH [0,1,0,1,0,0|0,0,2]=4 260 B13R2.430 N=C(N)C1=CC2=C(C=C1)OCO2 9614AH [0,1,0,1,0,0|1,0,0]=3 261 B13R2.430 N=C(N)C1=CC=C2OCOC2=C1 6155AH [0,1,0,1,0,0|1,0,0]=3 262 B13R2.430 NC(=O)C1=CC=C2OCOC2=C1 Y9199 [0,1,0,1,0,0|1,0,0]=3 263 B13R2.430 NC(=S)C1=CC=C2OCOC2=C1 Y7677 [0,1,0,1,0,0|1,0,0]=3 264 B13R2.430 O=C(O)C1=CC=C2CCOC2=C1 Z4578 [0,1,0,1,0,0|2,0,0]=4 265 B13R2.57 BrCC1=CC=C2OCCOC2=C1 Y4108 [0,1,0,1,0,0|1,0,1]=4 266 B13R2.57 ClCC1=CC=C2OCCOC2=C1 Z3013 [0,1,0,1,0,0|1,0,1]=4 267 B13R2.57 NNC1=CC2=C(C=C1)OCCO2 1345AJ [0,1,0,1,0,0|2,0,0]=4 268 B13R2.57 O=CC1=CC2=C(C=N1)OCCO2 Y3180 [0,1,0,1,0,0|2,0,0]=4 269 B13R2.57 O=CC1=CN=C2OCCOC2=C1 V9842 [0,1,0,1,0,0|2,0,0]=4 270 B13R2.57 O=CC1=NC2=C(C=C1)OCCO2 9239AB [0,1,0,1,0,0|2,0,0]=4 271 B13R2.669 CC1=NOC2=C1C=C(C=O)C=C2 2355AJ [0,1,0,1,0,0|2,0,0]=4 272 B13R2.2121 CC1CC2=C(C=CC(C=O)=C2)O1 5085AH [0,1,0,1,0,0|2,0,0]=4 273 B13R2.121 COC1=C(Br)C=CC2=C1C=NN2 Y4228 [0,1,0,1,0,0|2,0,0]=4 274 B13R2.449 CNCC1=CC=C2OCOC2=C1 Y7605 [0,1,0,1,0,0|0,0,2]=4 275 B13R2.449 NNCC1=CC2=C(C=C1)OCO2 4672AE [0,1,0,1,0,0|1,0,1]=4 276 B13R2.599 BrCC1=CC2=C(C=C1Br)OCO2 0638AQ [0,1,0,1,0,0|1,0,1]=4 277 B13R2.599 CC1=C(C=O)C=C2OCOC2=C1 6051AE [0,1,0,1,0,0|1,0,0]=3 278 B13R2.599 COC1=C(Br)C=C2NC=CC2=C1 1392AA [0,1,0,1,0,0|1,0,0]=3 279 B13R2.599 COC1=C(Br)C=C2NN=CC2=C1 3585AA [0,1,0,1,0,0|2,0,0]=4 280 B13R2.599 COC1=C(C)C=C2C=CNC2=C1 1512AA [0,1,0,1,0,0|1,0,0]=3 281 B13R2.599 COC1=C(F)C=C2C=CNC2=C1 3750AA [0,1,0,1,0,0|1,0,0]=3 282 B13R2.599 COC1=CC2=C(C=CN2)C=C1Cl 5107AC [0,1,0,1,0,0|1,0,0]=3 283 B13R2.599 COC1=CC2=C(C=NN2)C=C1N Z5098 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.599 NCC1=CC2=C(C=C1Cl)OCO2 5619AE [0,1,0,1,0,0|1,0,1]=4 285 B13R2.654 O=CC1=CC(Cl)=C2OCOC2=C1 Z3060 [0,1,0,1,0,0|1,0,0]=3 286 B13R2.654 OCC1=CC(Cl)=C2OCOC2=C1 1151AL [0,1,0,1,0,0|1,0,1]=4 287 B9R1.21 COC1=CC=C(C=O)S1 4303AB [1,0,0,0,1,0|2,0,0]=4 288 B11R1.265 COC1=C(C=O)C=CC=C1C 0417AC [0,0,0,0,1,1|2,0,0]=4 289 B11R1.265 COC1=C(C=O)C=CN=C1Br V4043 [0,0,0,0,1,1|2,0,0]=4