0 B6R1.2 BrC1=NC=CO1 X7954 [0,0,0,0,0,0|2,1,0]=3 1 B6R1.2 CC1=CCCO1 0728AQ [0,0,0,0,0,0|1,1,2]=4 2 B6R1.2 CC1=CNC=C1 W7383 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 CC1=COC=C1 X5961 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 ClC1=CN=CS1 5751AB [0,0,0,0,0,0|2,0,0]=2 5 B6R1.2 ClC1=CN=NS1 X3271 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 ClC1=NC=CO1 X3782 [0,0,0,0,0,0|2,1,0]=3 7 B6R1.2 FC1=CSC=C1 6051AL [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 FC1=NC=CN1 Z2562 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 FC1=NNC=C1 7175AA [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 IC1=CSN=C1 2848AJ [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 IC1=NC=NN1 9054AE [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 NC1=CC=CS1 9727AA [0,0,0,0,0,0|1,0,0]=1 13 B6R1.2 NC1=CC=CS1 Y9627 [0,0,0,0,0,0|1,0,0]=1 14 B6R1.2 NC1=CN=NN1 3126AB [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 NC1=COC=N1 4441AJ [0,0,0,0,0,0|3,0,0]=3 16 B6R1.2 NC1=CSC=N1 Y6641 [0,0,0,0,0,0|3,0,0]=3 17 B6R1.2 NC1=CSN=C1 W7611 [0,0,0,0,0,0|4,0,0]=4 18 B6R1.2 OC1=CC=CO1 X6571 [0,0,0,0,0,0|0,2,0]=2 19 B5R1.1 C1=NN=CS1 Y3146 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 BrCC1=CC=NO1 0787AC [0,1,0,0,0,0|2,1,0]=4 21 B7R1.1 BrCC1=CN=CS1 Y7777 [0,1,0,0,0,0|2,0,0]=3 22 B7R1.1 BrCC1=CNC=N1 2559AC [0,1,0,0,0,0|3,0,0]=4 23 B7R1.1 BrCC1=COC=C1 Z5546 [0,1,0,0,0,0|3,0,0]=4 24 B7R1.1 BrCC1=NC=CS1 5217AA [0,1,0,0,0,0|2,0,0]=3 25 B7R1.1 C=CC1=NC=CS1 Y1855 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.1 CCC1=CSC=N1 9240AA [0,1,0,0,0,0|3,0,0]=4 27 B7R1.1 CCC1=[C-]CC=C1 3755AB [0,1,0,0,0,0|2,0,1]=4 28 B7R1.1 CNC1=NC=CO1 6947AC [0,1,0,0,0,0|2,1,0]=4 29 B7R1.1 CSC1=CC=CO1 3661AD [0,1,0,0,0,0|0,1,0]=2 30 B7R1.1 ClCC1=CN=CO1 8892AA [0,1,0,0,0,0|2,1,0]=4 31 B7R1.1 ClCC1=CN=CS1 Z3006 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.1 ClCC1=COC=N1 1964AC [0,1,0,0,0,0|3,0,0]=4 33 B7R1.1 ClCC1=NOC=C1 8517AB [0,1,0,0,0,0|3,0,0]=4 34 B7R1.1 N#CC1=NC=CO1 0624AC [0,1,0,0,0,0|2,1,0]=4 35 B7R1.1 NCC1=CC=NO1 5355AB [0,1,0,0,0,0|2,1,0]=4 36 B7R1.1 NCC1=NC=CS1 Y9458 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.1 NNC1=NC=CN1 8326AH [0,1,0,0,0,0|3,0,0]=4 38 B7R1.1 OCC1=CC=NS1 8796AA [0,1,0,0,0,0|1,1,0]=3 39 B7R1.1 OCC1=CN=NS1 3511AA [0,1,0,0,0,0|2,1,0]=4 40 B7R1.1 OCC1=NC=CS1 1650AB [0,1,0,0,0,0|1,1,0]=3 41 B7R1.2 CC1=CC(N)=CS1 7683AA [0,1,0,0,0,0|1,0,0]=2 42 B7R1.2 CC1=CC=C(Br)O1 Z5451 [0,1,0,0,0,0|1,1,0]=3 43 B7R1.2 CC1=CN=C(Br)O1 Y7373 [0,1,0,0,0,0|2,1,0]=4 44 B7R1.2 CC1=CN=C(N)N1 X7979 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.2 CC1=CSC(N)=C1 7351AA [0,1,0,0,0,0|1,0,0]=2 46 B7R1.2 CC1=NC(N)=CS1 0820AA [0,1,0,0,0,0|2,0,0]=3 47 B7R1.2 CC1=NC=C(N)O1 7685AA [0,1,0,0,0,0|2,1,0]=4 48 B7R1.2 CC1=NN=C(S)O1 9842AD [0,1,0,0,0,0|2,1,0]=4 49 B7R1.2 CC1=NOC(Br)=C1 3130AJ [0,1,0,0,0,0|2,1,0]=4 50 B7R1.2 CC1=NOC(I)=C1 3237AJ [0,1,0,0,0,0|2,1,0]=4 51 B7R1.2 CC1=NSC(Cl)=C1 3191AJ [0,1,0,0,0,0|2,0,0]=3 52 B7R1.2 CN1C=CC(N)=C1 1192AC [0,1,0,0,0,0|3,0,0]=4 53 B7R1.2 CN1C=CC(N)=N1 0807AQ [0,1,0,0,0,0|3,0,0]=4 54 B7R1.2 CN1C=NC(Cl)=C1 6658AB [0,1,0,0,0,0|3,0,0]=4 55 B7R1.2 CN1C=NC(N)=C1 W8501 [0,1,0,0,0,0|3,0,0]=4 56 B7R1.2 ClC1=CC=C(I)S1 2831AB [0,1,0,0,0,0|1,0,0]=2 57 B7R1.2 IC1=COC(I)=N1 0733AQ [0,1,0,0,0,0|2,1,0]=4 58 B7R1.2 NC1=CC(N)=NN1 6857AA [0,1,0,0,0,0|3,0,0]=4 59 B7R1.2 NC1=CC=C(Br)S1 5820AH [0,1,0,0,0,0|1,0,0]=2 60 B7R1.2 NC1=CSC(Br)=N1 W6192 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.2 NC1=CSC(Br)=N1 W6193 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.2 NC1=NC(Br)=NS1 1930AA [0,1,0,0,0,0|3,0,0]=4 63 B7R1.2 NC1=NN=C(Br)S1 W5843 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.2 NN1C=C(Br)C=N1 4268AA [0,1,0,0,0,0|3,0,0]=4 65 B7R1.2 O=C1C=C(Br)CN1 X5058 [0,1,0,0,0,0|1,1,1]=4 66 B7R1.2 O=C1C=CC(Br)O1 5337AB [0,1,0,0,0,0|0,2,1]=4 67 B7R1.2 O=C1C=C[C@@H](O)C1 1307AL [0,1,0,0,0,0|1,1,1]=4 68 B7R1.2 O=C1C=C[C@H](O)C1 1131AL [0,1,0,0,0,0|1,1,1]=4 69 B7R1.2 OC1=NN=C(S)N1 4413AE [0,1,0,0,0,0|3,0,0]=4 70 B7R1.2 [S-]C1=NN=C([S-])S1 1306AQ [0,1,0,0,0,0|2,0,1]=4 71 B7R1.4 BrC1=C(I)C=CS1 1779AB [0,1,0,0,0,0|1,0,0]=2 72 B7R1.4 CC1=C(I)C=NO1 Y9878 [0,1,0,0,0,0|2,1,0]=4 73 B7R1.4 CC1=C(N)C=CS1 1720AB [0,1,0,0,0,0|1,0,0]=2 74 B7R1.4 CC1=C(N)C=NO1 4024AC [0,1,0,0,0,0|2,1,0]=4 75 B7R1.4 CC1=C(N)N=CN1 3265AJ [0,1,0,0,0,0|3,0,0]=4 76 B7R1.4 CC1=C(N)OC=N1 1683AC [0,1,0,0,0,0|2,1,0]=4 77 B7R1.4 CC1=CSC=C1N 6789AB [0,1,0,0,0,0|3,0,0]=4 78 B7R1.4 CN1C=NC=C1N Y5509 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.4 NC1=C(Br)SC=C1 1486AA [0,1,0,0,0,0|1,0,0]=2 80 B7R1.4 NC1=C(Br)SC=N1 6314AA [0,1,0,0,0,0|2,0,0]=3 81 B7R1.4 NC1=CSC=C1Cl 2703AL [0,1,0,0,0,0|3,0,0]=4 82 B7R1.4 NC1=CSC=C1N 5474AD [0,1,0,0,0,0|3,0,0]=4 83 B7R1.4 OC1=CSC=C1O 6989AA [0,1,0,0,0,0|2,1,0]=4 84 B5R0.1 CC(C)=CC=O 8071AJ [0,0,1,0,0,0|3,0,0]=4 85 B5R0.2 C=CC\C=C/C 0307AQ [0,0,1,0,0,0|2,0,1]=4 86 B5R0.3 C=C\C(C)=C\C 6089AL [0,0,1,0,0,0|2,0,1]=4 87 B7R1.3 ClC1=NC=CC=N1 2179AC [0,0,0,0,0,1|2,0,0]=3 88 B7R1.3 IC1=CC=NN=C1 Z2883 [0,0,0,0,0,1|3,0,0]=4 89 B7R1.3 IC1=NC=NC=C1 9969AD [0,0,0,0,0,1|2,0,0]=3 90 B7R1.3 IC1=NN=CC=C1 2308AJ [0,0,0,0,0,1|2,0,0]=3 91 B7R1.3 O=C1C=COCC1 2954AC [0,0,0,0,0,1|1,1,1]=4 92 B7R1.3 OC1=NC=CC=N1 Y4949 [0,0,0,0,0,1|1,1,0]=3 93 B7R1.3 [O-]C1=CC=CN=C1 P818 [0,0,0,0,0,1|1,1,0]=3 94 B4R0.2 C=C\C=C/C 7414AL [1,0,1,0,0,0|1,0,0]=3 95 B8R1.2 BrCC1=NC=NC=C1 6571AA [0,1,0,0,0,1|2,0,0]=4 96 B8R1.2 BrCC1=NC=NC=C1 7791AB [0,1,0,0,0,1|2,0,0]=4 97 B8R1.2 BrCC1=NN=CC=C1 X0198 [0,1,0,0,0,1|2,0,0]=4 98 B8R1.2 ClCC1=CC=CC=N1 V2306 [0,1,0,0,0,1|2,0,0]=4 99 B8R1.2 ClCC1=NC=CN=C1 Y8973 [0,1,0,0,0,1|2,0,0]=4 100 B8R1.2 ClCC1=NC=NC=C1 7792AB [0,1,0,0,0,1|2,0,0]=4 101 B8R1.2 ClCC1=NN=CC=C1 5659AB [0,1,0,0,0,1|2,0,0]=4 102 B8R1.2 NCC1=NC=CC=N1 4855AH [0,1,0,0,0,1|2,0,0]=4 103 B8R1.2 NCC1=NC=CN=C1 9838AJ [0,1,0,0,0,1|2,0,0]=4 104 B8R1.2 NNC1=CC=CN=C1 Z1664 [0,1,0,0,0,1|2,0,0]=4 105 B8R1.2 O=CC1=CC=NC=N1 W4791 [0,1,0,0,0,1|1,1,0]=4 106 B8R1.2 OCC1=CC=NC=C1 D932 [0,1,0,0,0,1|1,1,0]=4 107 B8R1.2 OCC1=NC=CC=C1 D931 [0,1,0,0,0,1|1,1,0]=4 108 B8R1.3 C[N+]1=CC=C(N)C=C1 9467AE [0,1,0,0,0,1|2,0,0]=4 109 B8R1.3 O=C1N=CC(Br)=CN1 2652AC [0,1,0,0,0,1|1,1,0]=4 110 B8R1.3 SC1=CC=C(Cl)C=N1 2810AE [0,1,0,0,0,1|1,0,0]=3 111 B8R1.4 BrC1=CC(Br)=NN=C1 Z3961 [0,1,0,0,0,1|2,0,0]=4 112 B8R1.4 CC1=CC(C)=NC=N1 W3390 [0,1,0,0,0,1|2,0,0]=4 113 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [0,1,0,0,0,1|1,0,1]=4 114 B8R1.4 FC1=CN=CC(F)=N1 0735AE [0,1,0,0,0,1|2,0,0]=4 115 B8R1.4 NC1=CC(O)=CC=C1 I722 [0,1,0,0,0,1|1,1,0]=4 116 B8R1.4 NC1=CC=NC(=S)N1 0783AQ [0,1,0,0,0,1|1,0,1]=4 117 B8R1.4 O=C1C=C(Cl)C=CO1 5500AA [0,1,0,0,0,1|0,2,0]=4 118 B8R1.4 S=C1N=CC=C(Cl)N1 9584AB [0,1,0,0,0,1|1,0,1]=4 119 B8R1.4 SC1=CC(Cl)=NC=C1 Y5887 [0,1,0,0,0,1|1,0,0]=3 120 B8R1.5 CC1=C(F)C=CN=C1 2798AB [0,1,0,0,0,1|2,0,0]=4 121 B8R1.5 CC1=NC=CC=C1O 9469AJ [0,1,0,0,0,1|1,1,0]=4 122 B8R1.5 ClC1=C(Br)C=NC=N1 3132AJ [0,1,0,0,0,1|2,0,0]=4 123 B8R1.5 NC1=CC=CC=C1Br 6262AC [0,1,0,0,0,1|2,0,0]=4 124 B8R1.5 O=C1NC=CC=C1I 2032AA [0,1,0,0,0,1|1,1,0]=4 125 B8R1.1 BrCC1=CC(Br)=CS1 2458AC [0,2,0,0,0,0|1,0,0]=3 126 B8R1.1 CC1=CC(CO)=CO1 Y6575 [0,2,0,0,0,0|1,1,0]=4 127 B8R1.1 CC1=CN=C(C#N)S1 0219AA [0,2,0,0,0,0|2,0,0]=4 128 B8R1.1 CC1=COC(C=O)=C1 2776AL [0,2,0,0,0,0|0,2,0]=4 129 B8R1.1 CC1=CSC(CCl)=N1 4416AE [0,2,0,0,0,0|2,0,0]=4 130 B8R1.1 CC1=CSC(CN)=N1 V6316 [0,2,0,0,0,0|2,0,0]=4 131 B8R1.1 CC1=NC(CN)=CS1 8526AH [0,2,0,0,0,0|2,0,0]=4 132 B8R1.1 CCC1=CSC(Br)=N1 Y4584 [0,2,0,0,0,0|2,0,0]=4 133 B8R1.1 COC1=CC=C(Br)S1 8374AB [0,2,0,0,0,0|0,1,0]=3 134 B8R1.1 CSC1=NN=C(Br)S1 6805AC [0,2,0,0,0,0|2,0,0]=4 135 B8R1.1 CSC1=NNC(N)=C1 X9217 [0,2,0,0,0,0|2,0,0]=4 136 B8R1.1 ClCC1=NC=C(Br)S1 6925AB [0,2,0,0,0,0|2,0,0]=4 137 B8R1.1 N#CC1=CC(F)=CS1 0107AP [0,2,0,0,0,0|1,0,0]=3 138 B8R1.1 N#CC1=CC=C(Br)N1 4702AB [0,2,0,0,0,0|2,0,0]=4 139 B8R1.1 N#CC1=CC=C(Cl)S1 6946AB [0,2,0,0,0,0|1,0,0]=3 140 B8R1.1 NCC1=CC(Cl)=CS1 0924AB [0,2,0,0,0,0|1,0,0]=3 141 B8R1.1 NCC1=CC=C(Br)O1 4771AJ [0,2,0,0,0,0|1,1,0]=4 142 B8R1.1 NCC1=CSC(Cl)=C1 6085AC [0,2,0,0,0,0|1,0,0]=3 143 B8R1.1 NCC1=CSC(N)=N1 6664AD [0,2,0,0,0,0|2,0,0]=4 144 B8R1.1 NCC1=NC(Br)=CS1 8754AH [0,2,0,0,0,0|2,0,0]=4 145 B8R1.1 NCC1=NC=C(Br)S1 3892AJ [0,2,0,0,0,0|2,0,0]=4 146 B8R1.1 NCC1=NC=C(Cl)S1 8839AH [0,2,0,0,0,0|2,0,0]=4 147 B8R1.1 NCC1=NC=C(Cl)S1 8840AH [0,2,0,0,0,0|2,0,0]=4 148 B8R1.1 O=CC1=CC(F)=CS1 3616AB [0,2,0,0,0,0|0,1,0]=3 149 B8R1.1 O=CC1=CC=C(F)S1 2922AL [0,2,0,0,0,0|0,1,0]=3 150 B8R1.1 OCC1=CC(Br)=CN1 2105AC [0,2,0,0,0,0|1,1,0]=4 151 B8R1.7 CC(C)C1=CN=CS1 8424AA [0,2,0,0,0,0|2,0,0]=4 152 B8R1.7 CC(N)C1=NC=CS1 5721AC [0,2,0,0,0,0|2,0,0]=4 153 B8R1.7 N=C(N)C1=CC=CO1 5380AE [0,2,0,0,0,0|1,1,0]=4 154 B8R1.7 N=C(N)C1=CC=CS1 1905AJ [0,2,0,0,0,0|1,0,0]=3 155 B8R1.7 O=C([O-])C1=CC=CO1 7350AF [0,2,0,0,0,0|0,2,0]=4 156 B8R1.7 O=C([O-])C1=CC=CO1 7351AF [0,2,0,0,0,0|0,2,0]=4 157 B8R1.7 OB(O)C1=CC=C[Se]1 4327AB [0,2,0,0,0,0|0,2,0]=4 158 B8R1.8 BrCCC1=CC=CO1 1031AJ [0,2,0,0,0,0|1,1,0]=4 159 B8R1.8 N#CCC1=NC=CS1 4664AJ [0,2,0,0,0,0|2,0,0]=4 160 B8R1.8 O=C=NC1=NC=CS1 X3406 [0,2,0,0,0,0|1,1,0]=4 161 B8R1.8 OCCC1=NC=CS1 4751AC [0,2,0,0,0,0|1,1,0]=4 162 B8R1.11 CC1=C(C=O)NC=C1 1713AB [0,2,0,0,0,0|1,1,0]=4 163 B8R1.11 CC1=C(CCl)SC=N1 7109AC [0,2,0,0,0,0|2,0,0]=4 164 B8R1.11 CCC1=C(C)N=CS1 3502AB [0,2,0,0,0,0|2,0,0]=4 165 B8R1.11 CNC1=C(N)C=CS1 5831AA [0,2,0,0,0,0|1,0,0]=3 166 B8R1.11 COC1=C(I)SC=C1 9868AB [0,2,0,0,0,0|1,0,0]=3 167 B8R1.11 N#CC1=C(N)NC=C1 1744AC [0,2,0,0,0,0|2,0,0]=4 168 B8R1.11 NC1=C(C=O)OC=C1 8258AB [0,2,0,0,0,0|0,2,0]=4 169 B8R1.11 NCC1=C(Br)SC=C1 8483AH [0,2,0,0,0,0|1,0,0]=3 170 B8R1.11 O=CC1=C(Cl)C=CN1 2395AL [0,2,0,0,0,0|1,1,0]=4 171 B8R1.11 O=CC1=C(F)C=CS1 3618AB [0,2,0,0,0,0|0,1,0]=3 172 B8R1.18 CC1=C(Br)OC(Br)=C1 B848 [0,2,0,0,0,0|1,1,0]=4 173 B8R1.18 CC1=C(Cl)N=C(Cl)S1 1212AA [0,2,0,0,0,0|2,0,0]=4 174 B8R1.18 CC1=C(N)N=C(N)S1 2191AC [0,2,0,0,0,0|2,0,0]=4 175 B8R1.18 ClC1=CC(I)=C(Cl)S1 3312AE [0,2,0,0,0,0|1,0,0]=3 176 B8R1.50 CC1=CNC(C)=C1C 4993AB [0,2,0,0,0,0|2,0,0]=4 177 B8R1.50 CC1=NSC(N)=C1Br 0891AQ [0,2,0,0,0,0|2,0,0]=4 178 B8R1.50 NN1C(=O)C=CC1=O 4829AB [0,2,0,0,0,0|1,1,0]=4