0 B8R1.7 CC(=O)C1=CC=CN1 20915 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.7 CC(=O)C1=CC=CO1 6939 [0,0,0,0,0,0|1,1,0]=2 2 B8R1.7 CC(=O)C1=CC=CS1 5172 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 CC(=O)C1=CNC=C1 22508 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 CC(=O)C1=CNC=N1 12484 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 CC(=O)C1=CNN=C1 30409 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.7 CC(=O)C1=CSC=C1 5220 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.7 CC(=O)C1=NC=CO1 23008 [0,0,0,0,0,0|0,1,0]=1 8 B8R1.7 CC(=O)C1=NC=CS1 9940 [0,0,0,0,0,0|0,0,0]=0 9 B8R1.7 CC(=O)N1C=CC=N1 13397 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.7 CC(=O)N1C=CN=C1 25826 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 CC(C)=C1C=CC=C1 35011 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 CC(C)C1=NC=CN1 15977 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.7 CC(C)C1=NNC=C1 11026 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.7 N=C(N)n1cccn1 23612 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.7 NC(=O)C1=NNC=C1 14330 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.7 NC(=O)C1=NNC=N1 26028 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.7 NC(=S)C1=CC=CS1 32072 [0,0,0,0,0,0|2,1,0]=3 18 B8R1.7 O=C(Cl)C1=CC=CO1 19997 [0,0,0,0,0,0|2,1,0]=3 19 B8R1.7 O=C(Cl)C1=CC=CS1 5166 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.7 O=C(Cl)C1=CSC=C1 5597 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.7 O=C(O)C1=CC=CN1 15698 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.7 O=C(O)C1=CC=CO1 6946 [0,0,0,0,0,0|2,1,0]=3 23 B8R1.7 O=C(O)C1=CC=CS1 5157 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.7 O=C(O)C1=CC=NN1 12935 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.7 O=C(O)C1=CC=NN1 35926 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.7 O=C(O)C1=CC=NO1 8643 [0,0,0,0,0,0|3,1,0]=4 27 B8R1.7 O=C(O)C1=CC=NS1 30427 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.7 O=C(O)C1=CN=CN1 9003 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.7 O=C(O)C1=CN=CS1 14533 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.7 O=C(O)C1=CNC=C1 8345 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.7 O=C(O)C1=CNN=N1 13727 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.7 O=C(O)C1=COC=C1 6945 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.7 O=C(O)C1=COC=N1 11025 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.7 O=C(O)C1=CSC=C1 7735 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.7 O=C(O)C1=CSC=N1 35764 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.7 O=C(O)C1=NC=CN1 25373 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.7 O=C(O)C1=NC=CS1 16257 [0,0,0,0,0,0|1,0,0]=1 38 B8R1.7 O=C(O)C1=NN=CS1 18394 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.7 O=C(O)C1=NOC=C1 12341 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.7 O=C(O)C1=NSC=C1 22100 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.7 O=C(O)[C-]1C=CC=C1 10724 [0,0,0,0,0,0|3,0,1]=4 42 B8R1.7 O=C([O-])C1=CC=CS1 32366 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.7 O=[N+]([O-])C1=CC=CS1 5570 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.7 O=[N+]([O-])C1=CNC=N1 7615 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.7 O=[N+]([O-])C1=NC=CN1 7616 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.7 OB(O)C1=CC=CS1 1883 [0,0,0,0,0,0|3,0,1]=4 47 B8R1.7 OB(O)C1=NC=CN1 15788 [0,0,0,0,0,0|3,0,1]=4 48 B8R1.7 OB(O)C1=NC=CN1 7878 [0,0,0,0,0,0|3,0,1]=4 49 B8R1.7 OB(O)C1=NC=CS1 20278 [0,0,0,0,0,0|2,0,1]=3 50 B8R1.7 OB(O)c1ncco1 24188 [0,0,0,0,0,0|2,1,1]=4 51 B8R1.7 S=C(S)C1=CNC=N1 9018 [0,0,0,0,0,0|3,1,0]=4 52 B7R1.1 C#CC1=CC=CS1 16123 [1,0,0,0,0,0|1,0,2]=4 53 B7R1.1 CCC1=CC=CS1 5536 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.1 CCC1=NC=CN1 15972 [1,0,0,0,0,0|1,0,1]=3 55 B7R1.1 CNC1=NC=CS1 23919 [1,0,0,0,0,0|1,0,0]=2 56 B7R1.1 COC1=CC=CO1 19998 [1,0,0,0,0,0|2,1,0]=4 57 B7R1.1 COC1=CC=CS1 12545 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.1 CSC1=CNC=N1 14136 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 CSC1=NC=CO1 24606 [1,0,0,0,0,0|1,1,0]=3 60 B7R1.1 ClCC1=NC=CO1 17601 [1,0,0,0,0,0|1,1,1]=4 61 B7R1.1 N#CC1=CC=CS1 5215 [1,0,0,0,0,0|2,0,1]=4 62 B7R1.1 NCC1=CC=CS1 22278 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.1 NCC1=CC=CS1 5606 [1,0,0,0,0,0|2,0,1]=4 64 B7R1.1 NCC1=NC=CN1 15933 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 NCC1=NC=CN1 16027 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 NCC1=NC=CN1 16028 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.1 NCC1=NC=CO1 15935 [1,0,0,0,0,0|1,1,1]=4 68 B7R1.1 NCC1=NN=CS1 24162 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.1 NCc1nccs1 15843 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.1 NNC1=NC=CN1 35367 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 O=CC1=CC=CN1 28928 [1,0,0,0,0,0|1,0,1]=3 72 B7R1.1 O=CC1=CC=CN1 9140 [1,0,0,0,0,0|1,0,1]=3 73 B7R1.1 O=CC1=CC=CO1 24739 [1,0,0,0,0,0|1,1,0]=3 74 B7R1.1 O=CC1=CC=CS1 5153 [1,0,0,0,0,0|1,0,0]=2 75 B7R1.1 O=CC1=CN=CS1 14219 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 O=CC1=CNC=C1 18051 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 O=CC1=CNC=N1 8980 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 O=CC1=COC=C1 6948 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 O=CC1=CSC=C1 5176 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 O=CC1=CSC=N1 13812 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.1 O=CC1=NC=CN1 8045 [1,0,0,0,0,0|1,0,0]=2 82 B7R1.1 O=CC1=NC=CO1 17600 [1,0,0,0,0,0|0,1,0]=2 83 B7R1.1 O=CC1=NC=CS1 9929 [1,0,0,0,0,0|0,0,0]=1 84 B7R1.1 O=CC1=NNC=C1 14337 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.1 O=CC1=NOC=C1 14352 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.1 O=C[C-]1C=CC=C1 18830 [1,0,0,0,0,0|2,0,1]=4 87 B7R1.1 OCC1=CC=CS1 5603 [1,0,0,0,0,0|1,0,2]=4 88 B7R1.1 OCC1=NC=CS1 10257 [1,0,0,0,0,0|0,0,2]=3 89 B7R1.1 OCC1=NN=CS1 26254 [1,0,0,0,0,0|1,0,2]=4 90 B9R1.11 CCC(=O)C1=CC=CS1 12618 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.11 COC(=O)C1=CC=CN1 9141 [0,1,0,0,0,0|1,0,1]=3 92 B9R1.11 COC(=O)C1=CC=CO1 7090 [0,1,0,0,0,0|1,1,0]=3 93 B9R1.11 COC(=O)C1=CC=CS1 19955 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.11 COC(=O)C1=CN=CS1 17249 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.11 COC(=O)C1=CNC=C1 22507 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.11 COC(=O)C1=CNC=N1 16142 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.11 COC(=O)C1=CNN=N1 19241 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.11 COC(=O)C1=CSC=N1 15784 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.11 COC(=O)C1=NC=CN1 23680 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.11 COC(=O)C1=NN=CN1 26175 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.11 COC(=O)C1=NNC=C1 14332 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.11 NNC(=O)C1=CC=CO1 32208 [0,1,0,0,0,0|2,1,0]=4 103 B9R1.11 NNC(=O)C1=CC=CS1 5213 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.11 O=C(CBr)C1=CC=CS1 10129 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.19 CC(C)(C)C1=CC=CS1 9596 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.19 C[Si](C)(C)C1=NC=CS1 10262 [0,1,0,0,0,0|1,1,0]=3 107 B9R1.19 NS(=O)(=O)C1=CC=CS1 12992 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.19 O=S(=O)(Cl)C1=CC=CS1 7737 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.35 CC(=O)C1=CC(C)=CS1 5214 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.35 CC(=O)C1=CC(C)=NO1 24234 [0,1,0,0,0,0|2,1,0]=4 111 B9R1.35 CC(=O)C1=CC(Cl)=CS1 44706 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.35 CC(=O)C1=CC=C(Br)S1 5219 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.35 CC(=O)C1=CC=C(C)O1 6971 [0,1,0,0,0,0|1,1,0]=3 114 B9R1.35 CC(=O)C1=CC=C(C)S1 5212 [0,1,0,0,0,0|1,0,0]=2 115 B9R1.35 CC(=O)C1=CC=C(Cl)S1 2614 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.35 CC(=O)C1=CSC(Cl)=C1 24099 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.35 CC1=CC(C(=O)O)=NO1 15552 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.35 CC1=CC=C(C(=O)O)S1 5206 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.35 CC1=CN=C(C(=O)O)S1 23003 [0,1,0,0,0,0|1,0,0]=2 120 B9R1.35 CC1=CNC(C(=O)O)=C1 13375 [0,1,0,0,0,0|2,0,1]=4 121 B9R1.35 CC1=CSC(C(=O)O)=C1 9431 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.35 CC1=NC=C(C(=O)O)S1 22287 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.35 CC1=NN=C(C(=O)[O-])O1 27297 [0,1,0,0,0,0|2,1,0]=4 124 B9R1.35 CN1C=CC(C(N)=O)=N1 24146 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.35 CN1C=NC(C(=O)O)=C1 9001 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.35 NC(=O)C1=CC=C(Br)N1 24946 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.35 NC(=O)C1=CN=C(Br)S1 34305 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.35 NC1=NC(C(=O)O)=CO1 19787 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.35 NC1=NC(C(=O)O)=CS1 8903 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.35 NC1=NC(C(=O)O)=CS1 9934 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.35 NC1=NC=C(C(=O)O)S1 21384 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 10452 [0,1,0,0,0,0|2,1,0]=4 133 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 16132 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.35 O=C(O)C1=CC(Br)=CS1 5189 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.35 O=C(O)C1=CC=C(Br)S1 7368 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.35 O=C(O)C1=CC=C(Cl)O1 31597 [0,1,0,0,0,0|2,1,0]=4 137 B9R1.35 O=C(O)C1=CC=C(Cl)S1 7380 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.35 O=C(O)C1=CN=C(Br)S1 15963 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.35 O=C(O)C1=CN=C(Cl)S1 32212 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.35 O=C(O)C1=CSC(Br)=N1 22900 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.35 O=C(O)C1=NNC(Cl)=C1 23727 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.35 O=[N+]([O-])C1=CC=C(Br)S1 5283 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.35 O=[N+]([O-])C1=NC(Br)=CN1 9445 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.41 CC(=O)C1=C(Br)C=CS1 7280 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.41 CC(=O)C1=C(C)C=CS1 5186 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.41 CC(=O)C1=C(C)N=CS1 33350 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.41 CC(=O)C1=C(I)C=CS1 34469 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.41 CC(=O)C1=C(N)C=CS1 20830 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.41 CC(=O)C1=CC=CN1C 27052 [0,1,0,0,0,0|1,0,1]=3 150 B9R1.41 CC(=O)C1=CC=NN1C 22711 [0,1,0,0,0,0|2,0,1]=4 151 B9R1.41 CC(=O)C1=CNC=C1C 22818 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.41 CC(=O)N1CC=CC1=O 18628 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.41 CC1=C(C(=O)Cl)SC=C1 5561 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.41 CC1=C(C(=O)O)SC=C1 5182 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.41 CC1=C(C(=O)O)SC=N1 8416 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.41 CC1=C(C(N)=O)SC=C1 16135 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.41 CC1=CNN=C1C(=O)O 19201 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.41 CN1C=CC=C1C(=O)O 9181 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.41 CN1C=CN=C1C(=O)O 8048 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.41 CN1C=CN=C1[N+](=O)[O-] 23736 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.41 NC(=O)C1=C(Br)C=CS1 16136 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.41 NC(=O)C1=C(N)C=CS1 5242 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.41 NC(=O)C1=C(N)NC=N1 14475 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.41 NC(=O)C1=C(N)NC=N1 9129 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.41 NC(=O)C1=C(N)OC=N1 14695 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.41 NC(=O)C1=C(N)SC=N1 25297 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.41 NC(=O)C1=C(O)NC=N1 13970 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.41 NC(=O)C1=CC=CN1N 22288 [0,1,0,0,0,0|2,0,1]=4 169 B9R1.41 O=C(Cl)C1=C(Cl)C=CS1 5480 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.41 O=C(O)C1=C(Br)C=CS1 10096 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.41 O=C(O)C1=C(Br)SC=N1 8916 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.41 O=C(O)C1=C(Cl)C=CS1 5491 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 15352 [0,1,0,0,0,0|3,0,0]=4 174 B7R0.4 C\C=C\C=C\C(=O)[O-] 26113 [0,0,1,0,0,0|3,0,0]=4 175 B9R1.6 CC(=O)C1=CC=CN=C1 1301 [0,0,0,0,0,1|1,0,0]=2 176 B9R1.6 CC(=O)C1=CC=CN=N1 16091 [0,0,0,0,0,1|1,0,0]=2 177 B9R1.6 CC(=O)C1=CC=NC=C1 7542 [0,0,0,0,0,1|2,0,0]=3 178 B9R1.6 CC(=O)C1=CN=CN=C1 13185 [0,0,0,0,0,1|2,0,0]=3 179 B9R1.6 CC(=O)C1=NC=CC=C1 13363 [0,0,0,0,0,1|1,0,0]=2 180 B9R1.6 CC(=O)C1=NC=CC=N1 19777 [0,0,0,0,0,1|1,0,0]=2 181 B9R1.6 CC(=O)C1=NC=CN=C1 8542 [0,0,0,0,0,1|1,0,0]=2 182 B9R1.6 CC(=O)C1=NC=NC=C1 33412 [0,0,0,0,0,1|1,0,0]=2 183 B9R1.6 CN(C)C1=NC=CC=C1 14996 [0,0,0,0,0,1|3,0,0]=4 184 B9R1.6 C[C@@H](O)C1=CC=CN=C1 27201 [0,0,0,0,0,1|1,0,2]=4 185 B9R1.6 C[C@@H](O)C1=NC=CC=C1 5699 [0,0,0,0,0,1|1,0,2]=4 186 B9R1.6 C[C@H](O)C1=NC=CC=C1 5701 [0,0,0,0,0,1|1,0,2]=4 187 B9R1.6 N=C(N)C1=CC=CN=C1 17590 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.6 N=C(N)C1=NC=CC=C1 20227 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.6 N=C(N)C1=NC=CN=C1 8599 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.6 NC(=O)C1=CC=NC=C1 6888 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.6 O=C(Cl)C1=CC=CC=C1 22045 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.6 O=C(Cl)C1=CC=NC=C1 23974 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.6 O=C(Cl)C1=CN=CC=C1 15186 [0,0,0,0,0,1|2,0,0]=3 194 B9R1.6 O=C(Cl)C1=CN=CN=C1 25063 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.6 O=C(Cl)C1=NC=CC=C1 2059 [0,0,0,0,0,1|2,0,0]=3 196 B9R1.6 O=C(Cl)C1=NC=NC=C1 15402 [0,0,0,0,0,1|2,0,0]=3 197 B9R1.6 O=C(O)C1=CC=CN=N1 22109 [0,0,0,0,0,1|2,0,0]=3 198 B9R1.6 O=C(O)C1=CC=NC=C1 2595 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.6 O=C(O)C1=CN=CC=C1 2594 [0,0,0,0,0,1|2,0,0]=3 200 B9R1.6 O=C(O)C1=CN=CN=C1 2056 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.6 O=C(O)C1=CN=NC=C1 9501 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.6 O=C(O)C1=NC=CC=C1 9774 [0,0,0,0,0,1|2,0,0]=3 203 B9R1.6 O=C(O)C1=NC=CC=N1 9603 [0,0,0,0,0,1|2,0,0]=3 204 B9R1.6 O=C(O)C1=NC=CN=C1 8602 [0,0,0,0,0,1|2,0,0]=3 205 B9R1.6 O=C(O)C1=NC=NC=C1 5297 [0,0,0,0,0,1|2,0,0]=3 206 B9R1.6 O=C([O-])C1=NC=CC=C1 20107 [0,0,0,0,0,1|2,0,0]=3 207 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 6646 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.13 CC(=O)NC1=CC=CS1 5216 [0,0,0,0,0,1|1,0,0]=2 209 B9R1.13 CC(=O)NC1=NC=CS1 35618 [0,0,0,0,0,1|0,0,0]=1 210 B9R1.13 CC(C)CC1=NC=CS1 9942 [0,0,0,0,0,1|1,0,1]=3 211 B9R1.13 CC(N)CC1=CC=CS1 24782 [0,0,0,0,0,1|2,0,1]=4 212 B9R1.13 O=C(Cl)CC1=CC=CS1 5578 [0,0,0,0,0,1|2,0,0]=3 213 B9R1.13 O=C(O)CC1=CC=CO1 17310 [0,0,0,0,0,1|2,1,0]=4 214 B9R1.13 O=C(O)CC1=CC=CS1 5168 [0,0,0,0,0,1|2,0,0]=3 215 B9R1.13 O=C(O)CC1=NC=CN1 18001 [0,0,0,0,0,1|2,0,0]=3 216 B6R0.4 CC\C=C\C(C)=O 32068 [1,0,1,0,0,0|1,0,1]=4 217 B6R0.4 CO\C=C\C(C)=O 28206 [1,0,1,0,0,0|2,0,0]=4 218 B6R1.2 BrC1=CC=CS1 5313 [2,0,0,0,0,0|2,0,0]=4 219 B6R1.2 BrC1=NC=CN1 8987 [2,0,0,0,0,0|2,0,0]=4 220 B6R1.2 BrC1=NC=CS1 15748 [2,0,0,0,0,0|1,0,0]=3 221 B6R1.2 CC1=CC=CO1 11230 [2,0,0,0,0,0|1,1,0]=4 222 B6R1.2 CC1=CC=CS1 5204 [2,0,0,0,0,0|1,0,0]=3 223 B6R1.2 CC1=CC=NS1 45145 [2,0,0,0,0,0|2,0,0]=4 224 B6R1.2 CC1=CNC=N1 7153 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.2 CC1=COC=N1 23604 [2,0,0,0,0,0|2,0,0]=4 226 B6R1.2 CC1=CSC=N1 23683 [2,0,0,0,0,0|2,0,0]=4 227 B6R1.2 CC1=NC=CN1 8049 [2,0,0,0,0,0|1,0,0]=3 228 B6R1.2 CC1=NC=CS1 15749 [2,0,0,0,0,0|0,0,0]=2 229 B6R1.2 CC1=NNC=C1 13253 [2,0,0,0,0,0|2,0,0]=4 230 B6R1.2 CC1=NNC=N1 23317 [2,0,0,0,0,0|2,0,0]=4 231 B6R1.2 CN1C=CC=N1 20862 [2,0,0,0,0,0|2,0,0]=4 232 B6R1.2 ClC1=CC=CS1 7376 [2,0,0,0,0,0|2,0,0]=4 233 B6R1.2 ClC1=NC=CN1 7597 [2,0,0,0,0,0|2,0,0]=4 234 B6R1.2 ClC1=NC=CS1 15569 [2,0,0,0,0,0|1,0,0]=3 235 B6R1.2 ClC1=NC=NS1 20014 [2,0,0,0,0,0|2,0,0]=4 236 B6R1.2 FC1=NC=CN1 13605 [2,0,0,0,0,0|2,0,0]=4 237 B6R1.2 IC1=CC=CS1 5547 [2,0,0,0,0,0|2,0,0]=4 238 B6R1.2 IC1=NC=CN1 9423 [2,0,0,0,0,0|2,0,0]=4 239 B6R1.2 NC1=NC=CN1 23659 [2,0,0,0,0,0|2,0,0]=4 240 B6R1.2 NC1=NC=CN1 8378 [2,0,0,0,0,0|2,0,0]=4 241 B6R1.2 NC1=NC=CS1 20596 [2,0,0,0,0,0|1,0,0]=3 242 B6R1.2 NC1=NC=NS1 11136 [2,0,0,0,0,0|2,0,0]=4 243 B6R1.2 NC1=NN=CS1 8411 [2,0,0,0,0,0|2,0,0]=4 244 B6R1.2 O=C1CC=CC1 12654 [2,0,0,0,0,0|2,0,0]=4 245 B6R1.2 O=C1NC=CN1 18114 [2,0,0,0,0,0|1,0,1]=4 246 B6R1.2 SC1=CC=CS1 7755 [2,0,0,0,0,0|1,1,0]=4 247 B6R1.2 SC1=NC=CO1 24604 [2,0,0,0,0,0|0,2,0]=4 248 B6R1.2 SC1=NN=CS1 10119 [2,0,0,0,0,0|1,1,0]=4 249 B8R1.1 CC1=CC(C=O)=NO1 11024 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.1 CC1=CC=C(C=O)O1 9971 [1,1,0,0,0,0|1,1,0]=4 251 B8R1.1 CC1=CC=C(C=O)S1 5205 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.1 CC1=CSC(C=O)=N1 15253 [1,1,0,0,0,0|0,0,0]=2 253 B8R1.1 CC1=NC(C=O)=CS1 15112 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.1 CCC1=NC(C)=CN1 15974 [1,1,0,0,0,0|1,0,1]=4 255 B8R1.1 CCC1=NC(C)=CS1 9939 [1,1,0,0,0,0|0,0,1]=3 256 B8R1.1 N#CC1=NC(Br)=CS1 34322 [1,1,0,0,0,0|1,0,1]=4 257 B8R1.1 NC1=NC=C(C=O)S1 8904 [1,1,0,0,0,0|2,0,0]=4 258 B8R1.1 O=CC1=CC(Br)=CO1 3545 [1,1,0,0,0,0|1,1,0]=4 259 B8R1.1 O=CC1=CC(Br)=CS1 5188 [1,1,0,0,0,0|1,0,0]=3 260 B8R1.1 O=CC1=CC=C(Br)O1 27066 [1,1,0,0,0,0|1,1,0]=4 261 B8R1.1 O=CC1=CC=C(Br)S1 10834 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.1 O=CC1=CC=C(Br)S1 16744 [1,1,0,0,0,0|1,0,0]=3 263 B8R1.1 O=CC1=CC=C(Cl)S1 7742 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.1 O=CC1=CN=C(Br)S1 21412 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.1 O=CC1=CN=C(Cl)S1 24698 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.1 O=CC1=CSC(Br)=N1 8915 [1,1,0,0,0,0|2,0,0]=4 267 B8R1.1 O=CC1=NNC(Br)=C1 23621 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.8 CCCC1=NC=CN1 15976 [1,1,0,0,0,0|1,0,1]=4 269 B8R1.8 CCOC1=NC=CS1 9943 [1,1,0,0,0,0|0,0,1]=3 270 B8R1.8 CNCC1=CC=CS1 22897 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.8 NCCC1=CC=CS1 5579 [1,1,0,0,0,0|1,0,1]=4 272 B8R1.8 NCCC1=CC=CS1 8859 [1,1,0,0,0,0|1,0,1]=4 273 B8R1.8 NCCC1=NC=CN1 24954 [1,1,0,0,0,0|1,0,1]=4 274 B8R1.8 O=CCC1=NOC=C1 24240 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.8 OCCC1=CC=CS1 5581 [1,1,0,0,0,0|1,0,1]=4 276 B8R1.8 O\N=C\C1=CC=CS1 14034 [1,1,0,0,0,0|1,0,1]=4 277 B8R1.11 CC1=C(C=O)N=CN1 23016 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.11 CC1=C(C=O)SC=C1 5183 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.11 CC1=C(C=O)SC=C1 9495 [1,1,0,0,0,0|1,0,0]=3 280 B8R1.11 CC1=C(C=O)SC=N1 8419 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.11 CC1=C(C=O)SC=N1 9927 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.11 CN1C=CC=C1C=O 9617 [1,1,0,0,0,0|1,0,1]=4 283 B8R1.11 CN1C=CN=C1C=O 7614 [1,1,0,0,0,0|1,0,0]=3 284 B8R1.11 CN1N=CN=C1C=O 22624 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.11 CSC1=NC=CN1C 31662 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.11 O=CC1=C(Br)C=CO1 7803 [1,1,0,0,0,0|1,1,0]=4 287 B8R1.11 O=CC1=C(Br)C=CS1 5327 [1,1,0,0,0,0|1,0,0]=3 288 B8R1.11 O=CC1=C(Cl)C=CS1 21836 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.11 O=CC1=C(Cl)N=CS1 22340 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 3294 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.13 CC(=O)C1=CC=C(C)C=C1 3326 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 3297 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 17693 [0,1,0,0,0,1|1,0,0]=3 294 B10R1.13 CC(=O)C1=CC=C(F)C=C1 10587 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.13 CC(=O)C1=CC=C(I)C=C1 3323 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.13 CC(=O)C1=CC=C(N)C=C1 3288 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.13 CC(=O)C1=CC=C(O)C=C1 3311 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 5959 [0,1,0,0,0,1|1,0,0]=3 299 B10R1.13 CC(=O)C1=CN=C(C)C=C1 14412 [0,1,0,0,0,1|1,0,0]=3 300 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 14411 [0,1,0,0,0,1|1,0,0]=3 301 B10R1.13 CC(=O)C1=CN=C(O)C=C1 29236 [0,1,0,0,0,1|1,0,0]=3 302 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 20326 [0,1,0,0,0,1|1,0,0]=3 303 B10R1.13 CC(=O)C1=NC=C(C)C=C1 16371 [0,1,0,0,0,1|1,0,0]=3 304 B10R1.13 CC(=O)C1=NC=C(N)C=C1 33797 [0,1,0,0,0,1|1,0,0]=3 305 B10R1.13 CC1=CC=C(C(=O)O)N=N1 18650 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.13 CC1=CN=C(C(=O)O)C=C1 22648 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.13 CC1=CN=C(C(=O)O)C=N1 8550 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.13 CC1=CN=C(C(=O)O)N=C1 35346 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.13 CC1=NC=C(C(=O)O)C=C1 1218 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.13 NC(=O)C1=CC=C(Cl)N=N1 35945 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 32127 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.13 NC(=O)C1=NC=C(N)C=C1 17853 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.13 NC(=O)C1=NC=C(N)C=N1 25348 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.13 NC(=O)C1=NC=C(N)N=C1 32178 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.13 NC1=CN=C(C(=O)O)C=C1 15896 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.13 NC1=CN=C(C(=O)O)C=C1 17661 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.13 NC1=CN=C(C(=O)O)C=N1 7866 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.13 NC1=NC=C(C(=O)O)C=C1 2417 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.13 O=C(Cl)C1=CN=C(Cl)C=C1 18665 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 5141 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 17692 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.13 O=C(O)C1=CC=C(O)N=N1 16854 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 1122 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 2600 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.13 O=C(O)C1=CN=C(F)C=C1 1121 [0,1,0,0,0,1|2,0,0]=4 326 B10R1.13 O=C(O)C1=CN=C(O)C=C1 15641 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 9212 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 16922 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 10379 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 29199 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 24823 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.13 O=C(O)C1=NC=C(F)C=C1 14387 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.13 O=C(O)C1=NC=C(I)C=C1 27836 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.13 O=C(O)C1=NC=C(O)C=C1 10094 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.13 O=C(O)C1=NC=C(O)N=C1 24014 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.15 CCC(=O)C1=CC=CN=C1 27239 [0,1,0,0,0,1|1,0,0]=3 337 B10R1.15 CNC(=O)C1=CC=CC=C1 35135 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.15 COC(=O)C1=CC=NC=C1 11729 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.15 COC(=O)C1=CN=CC=C1 11724 [0,1,0,0,0,1|1,0,0]=3 340 B10R1.15 COC(=O)C1=CN=CN=C1 13273 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.15 COC(=O)C1=NC=CC=C1 15906 [0,1,0,0,0,1|1,0,0]=3 342 B10R1.15 COC(=O)C1=NC=CC=N1 20808 [0,1,0,0,0,1|1,0,0]=3 343 B10R1.15 COC(=O)C1=NC=CN=C1 14789 [0,1,0,0,0,1|1,0,0]=3 344 B10R1.15 COC(=O)C1=NC=NC=C1 20806 [0,1,0,0,0,1|1,0,0]=3 345 B10R1.15 NCC(=O)C1=CC=CC=C1 10002 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.15 NCC(=O)C1=CC=CC=C1 21792 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.15 NCC(=O)C1=CC=CC=C1 3247 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.15 NNC(=O)C1=NC=CC=C1 23651 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.15 O=C(CBr)C1=CC=CC=C1 3257 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.15 O=C(CBr)C1=NC=CC=C1 21374 [0,1,0,0,0,1|1,0,0]=3 351 B10R1.15 O=C(CBr)C1=NC=CN=C1 21375 [0,1,0,0,0,1|1,0,0]=3 352 B10R1.15 O=C(CCl)C1=CC=CC=C1 29268 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.15 O=C(CF)C1=CC=CC=C1 3472 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.15 O=C(CO)C1=CC=CC=C1 23011 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.28 CS(=O)(=O)C1=NC=CC=N1 21988 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 3086 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.61 CC(=O)C1=C(C)C=CC=C1 3090 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 3084 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.61 CC(=O)C1=C(F)C=CC=C1 22574 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.61 CC(=O)C1=C(F)C=NC=C1 33787 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.61 CC(=O)C1=C(I)C=CC=C1 3893 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.61 CC(=O)C1=C(O)C=CC=C1 23010 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.61 CC(=O)C1=CC=CN=C1Cl 14410 [0,1,0,0,0,1|1,0,0]=3 364 B10R1.61 CC(=O)C1=CC=CN=C1F 5049 [0,1,0,0,0,1|1,0,0]=3 365 B10R1.61 CC(=O)C1=CC=CN=C1N 18534 [0,1,0,0,0,1|1,0,0]=3 366 B10R1.61 CC(=O)C1=CC=CNC1=O 23936 [0,1,0,0,0,1|1,0,1]=4 367 B10R1.61 CC(=O)C1=NC=CC=C1Cl 34385 [0,1,0,0,0,1|1,0,0]=3 368 B10R1.61 CC(=O)C1=NC=CC=C1F 1300 [0,1,0,0,0,1|1,0,0]=3 369 B10R1.61 CC(=O)C1=NC=CC=C1N 17729 [0,1,0,0,0,1|1,0,0]=3 370 B10R1.61 CC(=O)C1=NC=CN=C1C 8616 [0,1,0,0,0,1|1,0,0]=3 371 B10R1.61 CC(=O)C1=NC=CN=C1N 33762 [0,1,0,0,0,1|1,0,0]=3 372 B10R1.61 CC1=C(C(=O)O)C=CC=N1 2458 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.61 CC1=C(C(=O)O)C=NC=C1 16270 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.61 CC1=CC=CN=C1C(=O)O 14396 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.61 CC1=CC=CN=C1C(=O)O 17659 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.61 CC1=NC=CC=C1C(N)=O 22966 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.61 NC(=O)C1=C(N)C=CN=C1 3187 [0,1,0,0,0,1|2,0,0]=4 378 B10R1.61 NC(=O)C1=CC=CN=C1N 14977 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.61 NC(=O)C1=NC=CC=C1N 16893 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.61 NC(=O)C1=NC=CC=C1O 36150 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.61 NC(=O)C1=NC=CN=C1Cl 32162 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.61 NC(=O)C1=NC=CN=C1Cl 32162 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.61 NC(=O)C1=NC=CN=C1O 32110 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.61 NC(=O)c1cccnc1Br 10860 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.61 NC1=C(C(=O)O)C=CC=N1 1216 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.61 NC1=C(C(=O)O)N=NC=C1 19684 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.61 NC1=CC=CN=C1C(=O)O 2015 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.61 NC1=CC=NC=C1C(=O)O 1214 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.61 NC1=NC=CN=C1C(=O)O 8544 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 2599 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 18140 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2596 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.61 O=C(O)C1=C(F)C=CN=C1 10434 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.61 O=C(O)C1=C(F)N=CC=C1 1120 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.61 O=C(O)C1=C(I)N=CC=C1 34248 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.61 O=C(O)C1=C(O)N=CC=C1 2597 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.61 O=C(O)C1=C(S)N=CC=C1 21289 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.61 O=C(O)C1=CC=CN=C1Br 5071 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.61 O=C(O)C1=CN=CC=C1Cl 12989 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.61 O=C(O)C1=CN=CC=C1I 33396 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.61 O=C(O)C1=NC=CC=C1Br 5070 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.61 O=C(O)C1=NC=CC=C1Cl 12918 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.61 O=C(O)C1=NC=CC=C1F 5140 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.61 O=C(O)C1=NC=CC=C1O 9286 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.61 O=C(O)C1=NC=CN=C1Br 32152 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.61 O=C(O)C1=NC=CN=C1Cl 19770 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.61 O=C(O)C1=NC=CN=C1I 32124 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.61 O=C(O)C1=NC=CN=C1O 8870 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 3087 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 15626 [0,1,0,0,0,1|1,0,0]=3 411 B10R1.113 CC(=O)C1=CC(C)=CC=C1 4279 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.113 CC(=O)C1=CC(C)=CN=C1 26484 [0,1,0,0,0,1|1,0,0]=3 413 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 27309 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 3085 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 6177 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.113 CC(=O)C1=CC(F)=CC=C1 4232 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.113 CC(=O)C1=CC(F)=CN=C1 34208 [0,1,0,0,0,1|1,0,0]=3 418 B10R1.113 CC(=O)C1=CC(I)=CC=C1 3895 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.113 CC(=O)C1=CC(N)=CC=C1 6391 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.113 CC(=O)C1=CC(O)=CC=C1 3284 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 13351 [0,1,0,0,0,1|1,0,0]=3 422 B10R1.113 CC(=O)C1=NC(C)=CC=C1 9826 [0,1,0,0,0,1|1,0,0]=3 423 B10R1.113 CC(=O)C1=NC=CC(C)=C1 4045 [0,1,0,0,0,1|1,0,0]=3 424 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 19518 [0,1,0,0,0,1|1,0,0]=3 425 B10R1.113 CC1=CC(C(=O)Cl)=CN=C1 14338 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.113 CC1=CC(C(=O)O)=CN=C1 11961 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.113 CC1=CC=CC(C(=O)O)=N1 12414 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.113 CC1=CC=CC(C(=O)O)=N1 18834 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.113 CC1=NC(C(=O)O)=CN=C1 29069 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.113 CC1=NC=CC(C(=O)O)=N1 25613 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 1212 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.113 NC(=O)C1=NC(Cl)=CN=C1 32143 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 9223 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.113 NC(=O)C1=NC=CC(F)=C1 14534 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.113 NC1=CC(C(=O)O)=CN=C1 15914 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.113 NC1=CC(C(=O)O)=NC=C1 22241 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.113 NC1=CC=CC(C(=O)O)=N1 7686 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.113 NC1=CN=CC(C(=O)O)=N1 32113 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.113 NC1=NC=CC(C(=O)O)=N1 29010 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 29232 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.113 O=C(O)C1=CC=CC(Cl)=N1 9222 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 1211 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 11089 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.113 O=C(O)C1=CN=CC(F)=C1 10942 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.113 O=C(O)C1=CN=CC(O)=C1 2415 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 2422 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 27951 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 34398 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 16687 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 21879 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.113 O=C(O)C1=NC(F)=CC=C1 13570 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.113 O=C(O)C1=NC(I)=CC=C1 9290 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.113 O=C(O)C1=NC(O)=CC=C1 2421 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 4064 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 12731 [0,1,0,0,0,1|2,0,0]=4 456 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 22102 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.113 O=C(O)C1=NC=CC(I)=C1 27885 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.113 O=C(O)C1=NC=CC(O)=C1 17131 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 23631 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.113 O=C(O)C1=NC=NC(O)=C1 12436 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 26798 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 29908 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 29907 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.23 O=C(O)C(=O)C1=CC=CS1 5576 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.23 O=C(O)C(O)C1=CC=CS1 23764 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.54 CC(=O)NC1=NC(Br)=CS1 33360 [0,1,0,0,0,1|0,0,0]=2 467 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 33359 [0,1,0,0,0,1|0,0,0]=2 468 B10R1.11 CCOC(=O)C1=CC=CN1 14843 [0,2,0,0,0,0|1,0,1]=4 469 B10R1.11 CCOC(=O)C1=CC=CO1 7087 [0,2,0,0,0,0|1,1,0]=4 470 B10R1.11 CCOC(=O)C1=CN=CS1 17199 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.11 CCOC(=O)C1=CNC=N1 19079 [0,2,0,0,0,0|2,0,0]=4 472 B10R1.11 CCOC(=O)C1=COC=N1 15937 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.11 CCOC(=O)C1=CSC=N1 15785 [0,2,0,0,0,0|2,0,0]=4 474 B10R1.11 CCOC(=O)C1=NC=CN1 19979 [0,2,0,0,0,0|1,0,0]=3 475 B10R1.11 CCOC(=O)C1=NC=CO1 15936 [0,2,0,0,0,0|0,1,0]=3 476 B10R1.11 CCOC(=O)C1=NNC=C1 19209 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.11 CCOC(=O)C1=NOC=C1 15841 [0,2,0,0,0,0|2,0,0]=4 478 B10R1.11 N#CCC(=O)C1=CC=CO1 11959 [0,2,0,0,0,0|1,1,0]=4 479 B10R1.11 N#CCC(=O)C1=CC=CS1 8372 [0,2,0,0,0,0|1,0,0]=3 480 B10R1.14 CC1=NSC(C(=O)NN)=N1 32006 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.14 COC(=O)C1=CC(Br)=CN1 13045 [0,2,0,0,0,0|1,0,1]=4 482 B10R1.14 COC(=O)C1=CC=C(Cl)S1 27226 [0,2,0,0,0,0|1,0,0]=3 483 B10R1.14 COC(=O)C1=CC=C(N)S1 15670 [0,2,0,0,0,0|1,0,0]=3 484 B10R1.14 COC(=O)C1=CN(C)C=N1 9002 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.14 COC(=O)C1=CN=C(Br)S1 17197 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.14 COC(=O)C1=CN=C(N)S1 23603 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.14 COC(=O)C1=COC(C)=N1 11666 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.14 COC(=O)C1=CSC(Br)=N1 8920 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.14 COC(=O)C1=CSC(N)=N1 9926 [0,2,0,0,0,0|2,0,0]=4 490 B10R1.14 COC(=O)C1=NC(C)=CS1 17196 [0,2,0,0,0,0|0,0,0]=2 491 B10R1.14 COC(=O)C1=NC=C(C)S1 23005 [0,2,0,0,0,0|0,0,0]=2 492 B10R1.14 COC(=O)C1=NN(C)C=C1 23715 [0,2,0,0,0,0|2,0,0]=4 493 B10R1.14 COC(=O)C1=NN=C(Br)N1 24231 [0,2,0,0,0,0|2,0,0]=4 494 B10R1.14 COC(=O)C1=NSC(N)=C1 23749 [0,2,0,0,0,0|2,0,0]=4 495 B10R1.14 NNC(=O)C1=CC=C(Br)S1 16117 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.14 NNC(=O)C1=CC=C(Cl)S1 16134 [0,2,0,0,0,0|2,0,0]=4 497 B10R1.14 O=C(CCl)C1=CC=C(Br)S1 5287 [0,2,0,0,0,0|1,0,0]=3 498 B10R1.14 O=CC(=O)c1ccc(Br)s1 12313 [0,2,0,0,0,0|1,0,1]=4 499 B10R1.149 COC(=O)C1=C(Br)C=CS1 33825 [0,2,0,0,0,0|1,0,0]=3 500 B10R1.149 COC(=O)C1=C(Br)SC=N1 8917 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.149 COC(=O)C1=C(C)C=CS1 10098 [0,2,0,0,0,0|1,0,0]=3 502 B10R1.149 COC(=O)C1=C(C)N=CS1 9931 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.149 COC(=O)C1=C(Cl)C=CS1 9775 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.149 COC(=O)C1=C(F)C=CS1 15241 [0,2,0,0,0,0|1,0,0]=3 505 B10R1.149 COC(=O)C1=C(I)C=CS1 33549 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.149 COC(=O)C1=C(N)C=CS1 7304 [0,2,0,0,0,0|1,0,0]=3 507 B10R1.149 COC(=O)C1=C(O)C=CS1 7744 [0,2,0,0,0,0|1,0,0]=3 508 B10R1.149 COC(=O)C1=CC=CN1C 12438 [0,2,0,0,0,0|1,0,1]=4 509 B10R1.149 COC(=O)C1=NC=CN1C 23746 [0,2,0,0,0,0|1,0,0]=3 510 B10R1.149 COC(=O)C1=NNC=C1Br 34527 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.149 COC(=O)C1=NNC=C1N 31973 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.31 CC(=O)C1=CC=C(CO)O1 24280 [0,2,0,0,0,0|1,1,0]=4 513 B10R1.31 CSC1=CC=C(C(=O)O)S1 36164 [0,2,0,0,0,0|2,0,0]=4 514 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 7743 [0,2,0,0,0,0|2,0,0]=4 515 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 7747 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 33351 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.59 CC(=O)C1=C(C)N=C(C)S1 9941 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 24350 [0,2,0,0,0,0|2,0,0]=4 519 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 10101 [0,2,0,0,0,0|2,0,0]=4 520 B10R1.194 CC1=C(C(=O)Cl)SC=C1Br 5266 [0,2,0,0,0,0|2,0,0]=4 521 B10R1.194 CC1=C(C(=O)O)SC=C1Br 5272 [0,2,0,0,0,0|2,0,0]=4 522 B8R1.4 CC1=CC=CC(S)=C1 6808 [0,0,1,1,0,0|2,0,0]=4 523 B8R1.4 CC1=CN=CC(Br)=C1 4036 [0,0,1,1,0,0|2,0,0]=4 524 B8R1.4 CC1=CN=CC(Br)=N1 32151 [0,0,1,1,0,0|2,0,0]=4 525 B8R1.4 CC1=CN=CC(C)=N1 8609 [0,0,1,1,0,0|2,0,0]=4 526 B8R1.4 CC1=CN=CC(Cl)=N1 18034 [0,0,1,1,0,0|2,0,0]=4 527 B8R1.4 CC1=CN=CC(F)=C1 10630 [0,0,1,1,0,0|2,0,0]=4 528 B8R1.4 CC1=CN=CC(N)=C1 1279 [0,0,1,1,0,0|2,0,0]=4 529 B8R1.4 CC1=CN=CC(N)=C1 9634 [0,0,1,1,0,0|2,0,0]=4 530 B8R1.4 CC1=CN=CC(N)=N1 32122 [0,0,1,1,0,0|2,0,0]=4 531 B8R1.4 CC1=CN=CC(O)=C1 6629 [0,0,1,1,0,0|1,1,0]=4 532 B8R1.5 CC1=C(S)C=CC=C1 6806 [0,0,1,1,0,0|2,0,0]=4 533 B8R1.5 CC1=CC=CN=C1Br 9208 [0,0,1,1,0,0|2,0,0]=4 534 B8R1.5 CC1=CC=CN=C1C 20520 [0,0,1,1,0,0|2,0,0]=4 535 B8R1.5 CC1=CC=CN=C1Cl 2074 [0,0,1,1,0,0|2,0,0]=4 536 B8R1.5 CC1=CC=CN=C1F 3992 [0,0,1,1,0,0|2,0,0]=4 537 B8R1.5 CC1=CC=CN=C1I 14399 [0,0,1,1,0,0|2,0,0]=4 538 B8R1.5 CC1=CC=CN=C1N 1217 [0,0,1,1,0,0|2,0,0]=4 539 B8R1.5 CC1=CC=CN=C1O 14401 [0,0,1,1,0,0|1,1,0]=4 540 B8R1.5 CC1=CC=CN=C1O 8871 [0,0,1,1,0,0|1,1,0]=4 541 B8R1.5 CC1=NC=CN=C1Br 18035 [0,0,1,1,0,0|2,0,0]=4 542 B8R1.5 CC1=NC=CN=C1C 8607 [0,0,1,1,0,0|2,0,0]=4 543 B8R1.5 CC1=NC=CN=C1Cl 2149 [0,0,1,1,0,0|2,0,0]=4 544 B8R1.5 CC1=NC=CN=C1N 19617 [0,0,1,1,0,0|2,0,0]=4 545 B8R1.5 CC1=NC=CN=C1O 34244 [0,0,1,1,0,0|1,1,0]=4 546 B10R2.2 CC1=NC2=C(C=CS2)S1 14385 [0,0,0,1,0,1|1,1,0]=4 547 B10R2.32 O=C1CCC2=C1SC=C2 18321 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.2 C=CC1=NC=CC=C1 23910 [1,0,0,0,0,1|1,0,1]=4 549 B8R1.2 CCC1=NC=NC=C1 23618 [1,0,0,0,0,1|1,0,1]=4 550 B8R1.2 CNC1=CC=CN=C1 14983 [1,0,0,0,0,1|2,0,0]=4 551 B8R1.2 COC1=CC=CN=C1 15370 [1,0,0,0,0,1|2,0,0]=4 552 B8R1.2 COC1=NC=CC=C1 13201 [1,0,0,0,0,1|2,0,0]=4 553 B8R1.2 COC1=NC=CN=C1 8605 [1,0,0,0,0,1|2,0,0]=4 554 B8R1.2 COC1=NC=NC=C1 21029 [1,0,0,0,0,1|2,0,0]=4 555 B8R1.2 CSC1=NC=CC=C1 35938 [1,0,0,0,0,1|2,0,0]=4 556 B8R1.2 CSC1=NC=CN=C1 8604 [1,0,0,0,0,1|2,0,0]=4 557 B8R1.2 O=CC1=CC=CN=C1 1124 [1,0,0,0,0,1|1,0,0]=3 558 B8R1.2 O=CC1=CC=CN=N1 23311 [1,0,0,0,0,1|1,0,0]=3 559 B8R1.2 O=CC1=CC=NC=C1 11745 [1,0,0,0,0,1|2,0,0]=4 560 B8R1.2 O=CC1=CN=CN=C1 5298 [1,0,0,0,0,1|2,0,0]=4 561 B8R1.2 O=CC1=NC=CC=C1 11741 [1,0,0,0,0,1|1,0,0]=3 562 B8R1.2 O=CC1=NC=CC=N1 23190 [1,0,0,0,0,1|1,0,0]=3 563 B8R1.2 O=CC1=NC=CN=C1 32140 [1,0,0,0,0,1|1,0,0]=3 564 B10R1.18 CC(=O)CC1=CC=NC=C1 21323 [0,0,0,0,0,2|2,0,0]=4 565 B10R1.18 CC(=O)CC1=NC=CC=C1 32233 [0,0,0,0,0,2|1,0,0]=3 566 B10R1.18 CC(=O)NC1=CN=CN=C1 25070 [0,0,0,0,0,2|2,0,0]=4 567 B10R1.18 CC(=O)SC1=CC=CC=C1 15324 [0,0,0,0,0,2|2,0,0]=4 568 B10R1.18 O=C(O)CC1=CC=CN=C1 13998 [0,0,0,0,0,2|2,0,0]=4 569 B10R1.18 O=C(O)CC1=NC=CC=C1 14404 [0,0,0,0,0,2|2,0,0]=4 570 B10R1.18 O=C([O-])CC1=NC=CC=N1 13283 [0,0,0,0,0,2|2,0,0]=4 571 B10R1.66 CC(=O)OCC1=CC=CO1 9970 [0,0,0,0,0,2|1,1,0]=4 572 B10R1.66 O=C(O)CCc1cccs1 23928 [0,0,0,0,0,2|2,0,0]=4 573 B10R1.66 O=C(O)\C=C\C1=CC=CS1 22898 [0,0,0,0,0,2|2,0,0]=4