0 B8R1.2 C1=CC(=CN=C1)C#N R0016D [0,0,0,0,0,0|2,0,1]=3 1 B8R1.2 C1=CC(=CN=C1)CCl R00167 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.2 C1=CC=NC(=C1)C#N R000WD [0,0,0,0,0,0|2,0,1]=3 3 B8R1.2 C1=CC=NC(=C1)C=O R000XZ [0,0,0,0,0,0|1,0,2]=3 4 B8R1.2 C1=CC=NC(=C1)CCl R0011I [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 C1=CC=NC(=C1)CO R000W3 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.2 C1=CN=C(N=C1)C#N R000RY [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 C1=CN=C(N=C1)NN R000S3 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 C1=CN=CC=C1C#N R00182 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.2 C1=CN=CC=C1CCl R00181 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.2 C1=CN=CC=C1CO R00180 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.2 COC1=CC=CC=N1 R0011W [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 C1=CC(=CN=C1)Br R0016G [1,0,0,0,0,0|2,0,0]=3 13 B7R1.3 C1=CC(=CN=C1)N R0016C [1,0,0,0,0,0|2,0,0]=3 14 B7R1.3 C1=CC(=CN=C1)O R0016E [1,0,0,0,0,0|1,0,0]=2 15 B7R1.3 C1=CC=C(C=C1)Br R0018D [1,0,0,0,0,0|1,0,0]=2 16 B7R1.3 C1=CC=NC(=C1)Br R0014G [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 C1=CC=NC(=C1)F R0014K [1,0,0,0,0,0|2,0,0]=3 18 B7R1.3 C1=CC=NC(=C1)N R0014J [1,0,0,0,0,0|2,0,0]=3 19 B7R1.3 C1=CN=C(N=C1)Cl R000RX [1,0,0,0,0,0|3,0,0]=4 20 B7R1.3 C1=CN=CC=C1Br R00187 [1,0,0,0,0,0|2,0,0]=3 21 B7R1.3 C1=CN=CC=C1N R00183 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.3 C1=CNC=CC1=O R00185 [1,0,0,0,0,0|1,0,1]=3 23 B7R1.3 CC1=CC=CC=N1 R000XX [1,0,0,0,0,0|1,0,0]=2 24 B7R1.3 CC1=CC=NC=C1 R00184 [1,0,0,0,0,0|1,0,0]=2 25 B7R1.3 CC1=CN=CC=C1 R0016F [1,0,0,0,0,0|1,0,0]=2 26 B9R1.1 C#CC1=CC=C(C=C1)Br R0017K [0,1,0,0,0,0|1,0,1]=3 27 B9R1.1 C#CC1=CC=C(C=C1)N R00144 [0,1,0,0,0,0|1,0,1]=3 28 B9R1.1 C1=CC(=CC=C1CO)Cl R001B3 [0,1,0,0,0,0|0,0,0]=1 29 B9R1.1 C1=CC(=NC=C1Br)CO R001C1 [0,1,0,0,0,0|1,0,0]=2 30 B9R1.1 C1=CC(=NC=C1C#N)Cl R001BU [0,1,0,0,0,0|2,0,1]=4 31 B9R1.1 C1=CC(=NC=C1C=O)Cl R001BR [0,1,0,0,0,0|1,0,2]=4 32 B9R1.1 CC1=CN=C(C=C1)C#N R00115 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.1 CNC1=CC=C(C=C1)Br R000T0 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.1 COC1=CC=C(C=C1)N R000UY [0,1,0,0,0,0|2,0,0]=3 35 B9R1.2 C1=CC(=CC(=C1)Cl)CCl R00171 [0,1,0,0,0,0|1,0,0]=2 36 B9R1.2 C1=CC(=CC(=C1)O)C=O R000SR [0,1,0,0,0,0|0,0,2]=3 37 B9R1.2 C1=CC(=NC(=C1)Br)C#N R0017J [0,1,0,0,0,0|2,0,1]=4 38 B9R1.2 C1=CC(=NC(=C1)Cl)C#N R0017H [0,1,0,0,0,0|2,0,1]=4 39 B9R1.2 C1=CN=C(C=C1C=O)Cl R00148 [0,1,0,0,0,0|1,0,2]=4 40 B9R1.2 C1=CN=C(C=C1CO)Cl R00147 [0,1,0,0,0,0|1,0,0]=2 41 B9R1.2 C1=CN=C(C=C1Cl)C=O R0018B [0,1,0,0,0,0|1,0,2]=4 42 B9R1.2 CC1=CC=CC(=N1)C=O R001BD [0,1,0,0,0,0|1,0,2]=4 43 B9R1.2 CC1=NC(=CC=C1)CCl R0014F [0,1,0,0,0,0|2,0,0]=3 44 B9R1.2 CC1=NC(=CC=C1)CO R001BE [0,1,0,0,0,0|1,0,0]=2 45 B9R1.2 COC1=CC(=CC=C1)Cl R0011C [0,1,0,0,0,0|2,0,0]=3 46 B9R1.2 COC1=CC(=CC=C1)F R000SE [0,1,0,0,0,0|2,0,0]=3 47 B9R1.6 B(C1=CC=CC=C1)(O)O R000VC [0,1,0,0,0,0|1,0,0]=2 48 B9R1.6 B(C1=CC=NC=C1)(O)O R000VH [0,1,0,0,0,0|2,0,0]=3 49 B9R1.6 B(C1=CN=CC=C1)(O)O R000VJ [0,1,0,0,0,0|2,0,0]=3 50 B9R1.6 C1=CC(=CN=C1)C(=O)O R00163 [0,1,0,0,0,0|1,0,1]=3 51 B9R1.6 C1=CC=NC(=C1)C(=O)O R000WS [0,1,0,0,0,0|1,0,1]=3 52 B9R1.6 C1=CN=CC=C1C(=O)O R00172 [0,1,0,0,0,0|1,0,1]=3 53 B9R1.6 CC(=O)C1=CC=CC=N1 R0014L [0,1,0,0,0,0|1,0,2]=4 54 B9R1.6 CC(=O)C1=CC=NC=C1 R00186 [0,1,0,0,0,0|1,0,2]=4 55 B9R1.6 CC(=O)C1=CN=CC=C1 R0016Z [0,1,0,0,0,0|1,0,2]=4 56 B9R1.6 C[Si](C)C1=CC=CC=C1 R0017M [0,1,0,0,0,0|1,1,0]=3 57 B9R1.8 C1=CC=C(C=C1)CC#N R0018U [0,1,0,0,0,0|1,0,0]=2 58 B9R1.8 C1=CC=NC(=C1)CC#N R0011B [0,1,0,0,0,0|2,0,0]=3 59 B9R1.8 C1=CN=CC=C1CC#N R0017Z [0,1,0,0,0,0|2,0,0]=3 60 B9R1.8 COCC1=CC=CC=N1 R0011X [0,1,0,0,0,0|1,0,0]=2 61 B9R1.15 C1=CC(=C(N=C1)Cl)C=O R000YH [0,1,0,0,0,0|1,0,2]=4 62 B9R1.15 C1=CC(=C(N=C1)Cl)CO R000YG [0,1,0,0,0,0|1,0,0]=2 63 B9R1.15 C1=CC=C(C(=C1)C#N)Cl R001A4 [0,1,0,0,0,0|1,0,1]=3 64 B9R1.15 C1=CC=C(C(=C1)CO)Cl R001B5 [0,1,0,0,0,0|0,0,0]=1 65 B9R1.15 COC1=CC=CC=C1N R000UV [0,1,0,0,0,0|2,0,0]=3 66 B7R1.1 C#CC1=CSC=C1 R00199 [0,0,0,0,1,0|2,0,1]=4 67 B6R1.1 C1=CC=CC=C1 R00190 [2,0,0,0,0,0|0,0,0]=2 68 B6R1.1 C1=CC=NC=C1 R00192 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.3 C1=CC(=CC=C1F)Br R0010P [1,1,0,0,0,0|1,0,0]=3 70 B8R1.3 C1=CC(=CC=C1F)S R001A6 [1,1,0,0,0,0|0,1,0]=3 71 B8R1.3 C1=CC(=NC=C1Br)Br R0014P [1,1,0,0,0,0|2,0,0]=4 72 B8R1.3 C1=CC(=NC=C1Br)N R0014N [1,1,0,0,0,0|2,0,0]=4 73 B8R1.3 C1=CC(=NC=C1Cl)N R0014O [1,1,0,0,0,0|2,0,0]=4 74 B8R1.3 C1=CC(=NC=C1F)N R0017T [1,1,0,0,0,0|2,0,0]=4 75 B8R1.3 CC1=CN=C(C=C1)Br R00124 [1,1,0,0,0,0|1,0,0]=3 76 B8R1.3 CC1=CN=C(C=C1)Cl R00129 [1,1,0,0,0,0|1,0,0]=3 77 B8R1.3 CC1=CN=C(C=C1)F R0015W [1,1,0,0,0,0|1,0,0]=3 78 B8R1.3 CC1=CN=C(C=C1)N R0011Z [1,1,0,0,0,0|1,0,0]=3 79 B8R1.3 CC1=NC=C(C=C1)Br R00108 [1,1,0,0,0,0|1,0,0]=3 80 B8R1.3 CC1=NC=C(C=C1)Br R001C3 [1,1,0,0,0,0|1,0,0]=3 81 B8R1.4 C1=CC(=CC(=C1)O)N R000V9 [1,1,0,0,0,0|0,0,0]=2 82 B8R1.4 C1=CC(=NC(=C1)Br)F R0010F [1,1,0,0,0,0|2,0,0]=4 83 B8R1.4 C1=CC(=NC(=C1)F)F R000UD [1,1,0,0,0,0|2,0,0]=4 84 B8R1.4 C1=CC(=NC(=C1)N)N R0012I [1,1,0,0,0,0|2,0,0]=4 85 B8R1.4 C1=CN=C(C=C1Cl)N R0017L [1,1,0,0,0,0|2,0,0]=4 86 B8R1.4 CC1=CC(=CN=C1)C R0016B [1,1,0,0,0,0|1,0,0]=3 87 B8R1.4 CC1=CC(=NC=C1)Br R00123 [1,1,0,0,0,0|1,0,0]=3 88 B8R1.4 CC1=CC(=NC=C1)Cl R00119 [1,1,0,0,0,0|1,0,0]=3 89 B8R1.4 CC1=CC(=NC=C1)Cl R00128 [1,1,0,0,0,0|1,0,0]=3 90 B8R1.4 CC1=CC(=NC=C1)F R0015V [1,1,0,0,0,0|1,0,0]=3 91 B8R1.4 CC1=CC(=NC=C1)N R00120 [1,1,0,0,0,0|1,0,0]=3 92 B8R1.4 CC1=CC(=O)NC=C1 R0011U [1,1,0,0,0,0|1,0,0]=3 93 B8R1.4 CC1=CC=CC(=O)N1 R0011V [1,1,0,0,0,0|1,0,0]=3 94 B8R1.4 CC1=C[N+](=CC=C1)[O-] R00165 [1,1,0,0,0,0|1,0,0]=3 95 B8R1.4 CC1=NC(=CC=C1)Br R00125 [1,1,0,0,0,0|1,0,0]=3 96 B8R1.4 CC1=NC(=CC=C1)C R0012C [1,1,0,0,0,0|1,0,0]=3 97 B8R1.4 CC1=NC(=CC=C1)Cl R0012A [1,1,0,0,0,0|1,0,0]=3 98 B8R1.4 CC1=NC(=CC=C1)F R0015X [1,1,0,0,0,0|1,0,0]=3 99 B8R1.4 CC1=NC(=CC=C1)N R0011Y [1,1,0,0,0,0|1,0,0]=3 100 B8R1.4 CC1=NC=CC(=C1)Br R0011Q [1,1,0,0,0,0|1,0,0]=3 101 B8R1.4 CC1=NC=CC(=C1)Cl R0011S [1,1,0,0,0,0|1,0,0]=3 102 B8R1.4 CC1=NC=CC(=C1)F R0011T [1,1,0,0,0,0|1,0,0]=3 103 B8R1.4 CC1=NC=CC(=C1)N R0011P [1,1,0,0,0,0|1,0,0]=3 104 B8R1.5 C1=CC(=C(N=C1)Cl)Cl R0012G [1,1,0,0,0,0|2,0,0]=4 105 B8R1.5 C1=CC(=C(N=C1)Cl)O R00149 [1,1,0,0,0,0|1,0,0]=3 106 B8R1.5 C1=CC=C(C(=C1)N)F R0010S [1,1,0,0,0,0|1,0,0]=3 107 B8R1.5 C1=CC=C(C(=C1)N)N R00198 [1,1,0,0,0,0|1,0,0]=3 108 B8R1.5 CC1=C(C=CC=N1)O R0017W [1,1,0,0,0,0|1,0,0]=3 109 B8R1.5 CC1=C(C=NC=C1)Br R0016S [1,1,0,0,0,0|1,0,0]=3 110 B8R1.5 CC1=C(N=CC=C1)Br R00122 [1,1,0,0,0,0|1,0,0]=3 111 B8R1.5 CC1=C(N=CC=C1)Cl R00127 [1,1,0,0,0,0|1,0,0]=3 112 B8R1.5 CC1=C(N=CC=C1)F R0015U [1,1,0,0,0,0|1,0,0]=3 113 B8R1.5 CC1=C(N=CC=C1)N R00121 [1,1,0,0,0,0|1,0,0]=3 114 B8R1.5 CC1=CC=CC=[N+]1[O-] R0011M [1,1,0,0,0,0|1,0,0]=3 115 B10R1.1 C1=CC(=CC=C1CC#N)Cl R001AU [0,2,0,0,0,0|1,0,0]=3 116 B10R1.1 C1=CC(=CC=C1CCO)Cl R001AV [0,2,0,0,0,0|0,0,0]=2 117 B10R1.1 C1=CC(=NC=C1CC#N)Cl R001BT [0,2,0,0,0,0|2,0,0]=4 118 B10R1.3 C#CC1=CC=C(C=C1)C#C R00178 [0,2,0,0,0,0|1,0,1]=4 119 B10R1.3 C#CC1=CC=C(C=C1)CO R0011D [0,2,0,0,0,0|0,0,0]=2 120 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O R000WF [0,2,0,0,0,0|1,0,0]=3 121 B10R1.13 B(C1=CC=C(C=C1)C)(O)O R000VD [0,2,0,0,0,0|1,0,0]=3 122 B10R1.13 B(C1=CC=C(C=C1)Cl)(O)O R000WB [0,2,0,0,0,0|1,0,0]=3 123 B10R1.13 B(C1=CC=C(C=C1)F)(O)O R000VM [0,2,0,0,0,0|1,0,0]=3 124 B10R1.13 B(C1=CC=C(C=C1)O)(O)O R000W0 [0,2,0,0,0,0|1,0,0]=3 125 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Cl R000UZ [0,2,0,0,0,0|1,0,1]=4 126 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O R000VY [0,2,0,0,0,0|1,0,1]=4 127 B10R1.13 C1=CC(=NC=C1Br)C(=O)O R001C2 [0,2,0,0,0,0|1,0,1]=4 128 B10R1.13 C1=CC(=NC=C1C(=O)O)Br R001BJ [0,2,0,0,0,0|1,0,1]=4 129 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl R001BI [0,2,0,0,0,0|1,0,1]=4 130 B10R1.13 C1=CC(=O)C=CC1=C(N)S R000SY [0,2,0,0,0,0|0,1,1]=4 131 B10R1.13 C1=CC(=O)NC=C1C(=O)O R001BX [0,2,0,0,0,0|1,0,1]=4 132 B10R1.13 CC1=NC=C(C=C1)C(=O)O R001BL [0,2,0,0,0,0|1,0,1]=4 133 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O R00107 [0,2,0,0,0,0|0,0,2]=4 134 B10R1.176 CC1=C(C=C(C=C1)C#N)F R000SH [0,2,0,0,0,0|1,0,1]=4 135 B10R1.2 C1=CC(=C(C(=C1)O)O)C=O R000TV [0,2,0,0,0,0|0,0,2]=4 136 B10R1.113 B(C1=CC(=CC=C1)Br)(O)O R0010E [0,2,0,0,0,0|1,0,0]=3 137 B10R1.113 B(C1=CC(=CC=C1)Cl)(O)O R000WQ [0,2,0,0,0,0|1,0,0]=3 138 B10R1.113 B(C1=CC(=CC=C1)F)(O)O R000WM [0,2,0,0,0,0|1,0,0]=3 139 B10R1.113 B(C1=CC(=CC=C1)O)(O)O R000W2 [0,2,0,0,0,0|1,0,0]=3 140 B10R1.113 C1=C(C=NC=C1Br)C(=O)O R0018E [0,2,0,0,0,0|1,0,1]=4 141 B10R1.113 C1=C(C=NC=C1O)C(=O)O R001C0 [0,2,0,0,0,0|1,0,1]=4 142 B10R1.113 C1=CC(=CC(=C1)Cl)[N+](=O)[O-] R000UX [0,2,0,0,0,0|1,0,1]=4 143 B10R1.113 C1=CC(=NC(=C1)Br)C(=O)O R001BH [0,2,0,0,0,0|1,0,1]=4 144 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O R001BQ [0,2,0,0,0,0|1,0,1]=4 145 B10R1.113 C1=CC(=O)NC(=C1)C(=O)O R001BG [0,2,0,0,0,0|1,0,1]=4 146 B10R1.113 C1=CN=C(C=C1C(=O)O)Br R0015T [0,2,0,0,0,0|1,0,1]=4 147 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl R00111 [0,2,0,0,0,0|1,0,1]=4 148 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O R00189 [0,2,0,0,0,0|1,0,1]=4 149 B10R1.113 C1=CNC(=O)C=C1C(=O)O R000YF [0,2,0,0,0,0|1,0,1]=4 150 B10R1.113 CC1=CC=CC(=C1)C(=O)O R001A7 [0,2,0,0,0,0|0,0,1]=3 151 B10R1.113 CC1=CC=CC(=N1)C(=O)O R001BF [0,2,0,0,0,0|1,0,1]=4 152 B10R1.172 C#CC1=CC(=CC=C1)C#C R00153 [0,2,0,0,0,0|1,0,1]=4 153 B10R1.172 C1=CC(=CC(=C1)C=O)C=O R001B4 [0,2,0,0,0,0|0,0,2]=4 154 B10R1.172 COC1=CC=CC(=C1)C=O R000SQ [0,2,0,0,0,0|0,0,2]=4 155 B10R1.15 C#CC(C1=CC=CC=C1)O R0018L [0,2,0,0,0,0|0,0,0]=2 156 B10R1.15 C1=CC=C(C=C1)[C@@H](CO)N R000UJ [0,2,0,0,0,0|0,0,0]=2 157 B10R1.15 C1=CC=C(C=C1)[C@H](CO)N R000UK [0,2,0,0,0,0|0,0,0]=2 158 B10R1.15 CCC(=O)C1=CC=CC=C1 R001AL [0,2,0,0,0,0|1,0,0]=3 159 B10R1.15 COC(=O)C1=CC=CC=N1 R000WJ [0,2,0,0,0,0|1,0,1]=4 160 B10R1.15 COC(=O)C1=CC=NC=C1 R00173 [0,2,0,0,0,0|1,0,1]=4 161 B10R1.15 COC(=O)C1=CN=CC=C1 R0015Z [0,2,0,0,0,0|1,0,1]=4 162 B10R1.61 B(C1=CC=CC=C1Br)(O)O R0010J [0,2,0,0,0,0|1,0,0]=3 163 B10R1.61 B(C1=CC=CC=C1Cl)(O)O R0010I [0,2,0,0,0,0|1,0,0]=3 164 B10R1.61 B(C1=CC=CC=C1F)(O)O R0010G [0,2,0,0,0,0|1,0,0]=3 165 B10R1.61 B(C1=CC=CC=C1O)(O)O R000W5 [0,2,0,0,0,0|1,0,0]=3 166 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O R0011H [0,2,0,0,0,0|1,0,1]=4 167 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O R0010Y [0,2,0,0,0,0|1,0,1]=4 168 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O R0011L [0,2,0,0,0,0|1,0,1]=4 169 B10R1.61 C1=CC=C(C(=C1)[N+](=O)[O-])Cl R000UW [0,2,0,0,0,0|1,0,1]=4 170 B10R1.61 C1=CN=CC(=C1C(=O)O)Br R0016X [0,2,0,0,0,0|1,0,1]=4 171 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O R000YE [0,2,0,0,0,0|1,0,1]=4 172 B10R1.61 CC1=CC=CC=C1C(=O)O R001A9 [0,2,0,0,0,0|0,0,1]=3 173 B10R1.4 C1=CC=C(C(=C1)CCO)Cl R001AY [0,2,0,0,0,0|0,0,0]=2 174 B10R1.18 C1=CC=NC(=C1)CC(=O)O R0011E [0,2,0,0,0,0|1,0,0]=3 175 B10R2.7 C1=CC=C2C(=C1)C=CN2 R001A3 [0,1,0,1,0,0|1,0,1]=4 176 B10R2.7 C1CC2=C(C1)N=CC=C2 R000YV [0,1,0,1,0,0|2,0,0]=4