0 B6R1.1 C1=CN=CC=N1 PI-14237 [0,0,0,0,0,0|2,0,0]=2 1 B6R1.1 C1COCC=C1 PI-40555 [0,0,0,0,0,0|1,0,3]=4 2 B6R1.1 [c-]1ncccn1 PI-40989 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.1 c1[c-]cccc1 PI-15765 [0,0,0,0,0,0|0,0,1]=1 4 B6R1.1 c1[c-]cccc1 PI-24613 [0,0,0,0,0,0|0,0,1]=1 5 B6R1.1 c1cccn[c-]1 PI-24182 [0,0,0,0,0,0|1,0,1]=2 6 B6R1.1 c1cccnc1 PI-14207 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.1 c1ccncn1 PI-11036 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 Brc1cccnc1 PI-11914 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 Brc1cccnn1 PI-37395 [0,1,0,0,0,0|2,0,0]=3 10 B7R1.3 Brc1ccncc1 PI-10390 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.3 Brc1ccnnc1 PI-34084 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.3 C1=C(C=NC=N1)Br PI-16276 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.3 C1=C(C=NC=N1)Cl PI-21317 [0,1,0,0,0,0|2,0,0]=3 14 B7R1.3 C1=C(C=NC=N1)F PI-28750 [0,1,0,0,0,0|2,0,0]=3 15 B7R1.3 C1=CC(=CN=C1)I PI-11390 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 C1=CC(=CN=C1)O PI-44714 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [0,1,0,0,0,0|1,0,0]=2 18 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.3 C1=CC(=S)NC=C1 PI-11854 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [0,1,0,0,0,0|0,0,0]=1 23 B7R1.3 C1=CC=NC(=C1)I PI-32173 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.3 C1=CN=C(C=N1)Br PI-47341 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.3 C1=CN=C(C=N1)Cl PI-11831 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.3 C1=CN=C(N=C1)N PI-33106 [0,1,0,0,0,0|2,0,0]=3 27 B7R1.3 C1=CN=CC(=S)N1 PI-45037 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.3 C1=CN=CC=C1Cl PI-16703 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.3 C1=CN=CC=C1F PI-10293 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.3 C1=CN=CC=C1F PI-28763 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.3 C1=CN=CC=C1I PI-16167 [0,1,0,0,0,0|1,0,0]=2 32 B7R1.3 C1=CN=CN=C1Cl PI-47317 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.3 C1=CN=CN=C1N PI-34789 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.3 C1=CN=CNC1=O PI-21341 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.3 C1=CN=CNC1=O PI-45002 [0,1,0,0,0,0|2,0,0]=3 36 B7R1.3 C1=CNC(=O)N=C1 PI-32626 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.3 C1=CNC(=O)N=C1 PI-33107 [0,1,0,0,0,0|2,0,0]=3 38 B7R1.3 C1=CNC(=S)N=C1 PI-15316 [0,1,0,0,0,0|2,0,0]=3 39 B7R1.3 C1=CNC=CC1=S PI-33123 [0,1,0,0,0,0|1,0,0]=2 40 B7R1.3 C1=COC=CC1=O PI-43972 [0,1,0,0,0,0|1,0,0]=2 41 B7R1.3 C1=C[N+](=CC=N1)[O-] PI-50198 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,1,0,0,0,0|1,0,2]=4 43 B7R1.3 CC1=CC=CC=N1 PI-38534 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.3 CC1=CN=CN=C1 PI-21343 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.3 CC1=CN=NC=C1 PI-31701 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.3 CC1=NC=CN=C1 PI-48495 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.3 C[N+]1=CC=CC=C1 PI-13346 [0,1,0,0,0,0|1,0,0]=2 48 B7R1.3 C[n+]1ccccc1 PI-17168 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.3 Cc1ncccn1 PI-35192 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.3 ClC1=NN=CC=C1 PI-37010 [0,1,0,0,0,0|2,0,0]=3 51 B7R1.3 Clc1cccnc1 PI-11921 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.3 Clc1ccncn1 PI-38789 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.3 Clc1ncccn1 PI-16275 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.3 Fc1ccccn1 PI-11583 [0,1,0,0,0,0|1,0,0]=2 55 B7R1.3 Fc1cccnc1 PI-16759 [0,1,0,0,0,0|1,0,0]=2 56 B7R1.3 Ic1ccccc1 PI-37973 [0,1,0,0,0,0|0,0,0]=1 57 B7R1.3 Ic1cnccn1 PI-38885 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.3 N[n+]1ccccc1 PI-10984 [0,1,0,0,0,0|1,0,0]=2 59 B7R1.3 Nc1cccnn1 PI-38601 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.3 Nc1ccnnc1 PI-35933 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.3 Nc1cnccn1 PI-29636 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.3 Nc1cncnc1 PI-38883 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.3 Nc1ncncn1 PI-14137 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.3 O=C1C=CC=NN1 PI-40006 [0,1,0,0,0,0|2,0,0]=3 65 B7R1.3 O=C1C=CNC=C1 PI-33984 [0,1,0,0,0,0|1,0,0]=2 66 B7R1.3 Oc1cncnc1 PI-36495 [0,1,0,0,0,0|2,0,0]=3 67 B7R1.3 [S-]c1ccccc1 PI-17985 [0,1,0,0,0,0|0,0,0]=1 68 B5R1.1 C1=CSC=C1 PI-45119 [0,0,0,0,1,0|1,0,0]=2 69 B5R1.1 C1=CSC=N1 PI-45012 [0,0,0,0,1,0|2,0,0]=3 70 B5R1.1 C1=CSN=C1 PI-41498 [0,0,0,0,1,0|2,0,0]=3 71 B5R1.1 C1C=CCN1 PI-36315 [0,0,0,0,1,0|1,0,2]=4 72 B5R1.1 C1C=CCN1 PI-40188 [0,0,0,0,1,0|1,0,2]=4 73 B5R1.1 C1COC=C1 PI-45414 [0,0,0,0,1,0|1,0,2]=4 74 B5R1.1 N1N=CN=C1 PI-37189 [0,0,0,0,1,0|3,0,0]=4 75 B5R1.1 O1C=NC=C1 PI-37188 [0,0,0,0,1,0|2,0,0]=3 76 B5R1.1 O1N=CC=C1 PI-37186 [0,0,0,0,1,0|2,0,0]=3 77 B5R1.1 c1ccn[nH]1 PI-12159 [0,0,0,0,1,0|2,0,0]=3 78 B5R1.1 c1cnn[nH]1 PI-31137 [0,0,0,0,1,0|3,0,0]=4 79 B7R1.24 C1=CC=C[CH+]C=C1 PI-30408 [0,0,0,0,0,1|0,0,0]=1 80 B6R0.6 C=CCNCC=C PI-47080 [0,1,1,0,0,0|0,0,2]=4 81 B6R0.6 CC=CC=CCO PI-24146 [0,1,1,0,0,0|0,0,2]=4 82 B6R1.2 Brc1c[nH]cn1 PI-31938 [0,1,0,0,1,0|2,0,0]=4 83 B6R1.2 Brc1ccco1 PI-14449 [0,1,0,0,1,0|1,0,0]=3 84 B6R1.2 Brc1cccs1 PI-11144 [0,1,0,0,1,0|1,0,0]=3 85 B6R1.2 Brc1cscc1 PI-10760 [0,1,0,0,1,0|1,0,0]=3 86 B6R1.2 Brc1cscn1 PI-38310 [0,1,0,0,1,0|2,0,0]=4 87 B6R1.2 Brc1ncc[nH]1 PI-39207 [0,1,0,0,1,0|2,0,0]=4 88 B6R1.2 C1=C(C=NN1)Br PI-31345 [0,1,0,0,1,0|2,0,0]=4 89 B6R1.2 C1=C(C=NN1)Cl PI-33036 [0,1,0,0,1,0|2,0,0]=4 90 B6R1.2 C1=C(C=NN1)I PI-21303 [0,1,0,0,1,0|2,0,0]=4 91 B6R1.2 C1=C(C=NO1)Br PI-39735 [0,1,0,0,1,0|2,0,0]=4 92 B6R1.2 C1=C(NN=C1)N PI-10514 [0,1,0,0,1,0|2,0,0]=4 93 B6R1.2 C1=C(ON=C1)N PI-34865 [0,1,0,0,1,0|2,0,0]=4 94 B6R1.2 C1=C(SC=N1)Br PI-45402 [0,1,0,0,1,0|2,0,0]=4 95 B6R1.2 C1=CN=C(N1)N PI-11170 [0,1,0,0,1,0|2,0,0]=4 96 B6R1.2 C1=CN=C(N1)N PI-45241 [0,1,0,0,1,0|2,0,0]=4 97 B6R1.2 C1=CN=C(N1)N PI-45281 [0,1,0,0,1,0|2,0,0]=4 98 B6R1.2 C1=CNC=C1F PI-49258 [0,1,0,0,1,0|1,0,0]=3 99 B6R1.2 C1=CSC(=N1)Br PI-11814 [0,1,0,0,1,0|2,0,0]=4 100 B6R1.2 C1=CSC=C1F PI-49323 [0,1,0,0,1,0|1,0,0]=3 101 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,1,0,0,1,0|1,0,1]=4 102 B6R1.2 CC1=CC=CS1 PI-11146 [0,1,0,0,1,0|1,0,0]=3 103 B6R1.2 CC1=CN=CN1 PI-44758 [0,1,0,0,1,0|2,0,0]=4 104 B6R1.2 CC1=COC=C1 PI-41011 [0,1,0,0,1,0|1,0,0]=3 105 B6R1.2 Cc1c[nH]nc1 PI-34810 [0,1,0,0,1,0|2,0,0]=4 106 B6R1.2 Cc1cc[nH]n1 PI-31344 [0,1,0,0,1,0|2,0,0]=4 107 B6R1.2 Cc1cncs1 PI-33497 [0,1,0,0,1,0|2,0,0]=4 108 B6R1.2 Cc1nccs1 PI-11132 [0,1,0,0,1,0|2,0,0]=4 109 B6R1.2 ClC1=CSC=C1 PI-11160 [0,1,0,0,1,0|1,0,0]=3 110 B6R1.2 Clc1ncc[nH]1 PI-20136 [0,1,0,0,1,0|2,0,0]=4 111 B6R1.2 Clc1nccs1 PI-39297 [0,1,0,0,1,0|2,0,0]=4 112 B6R1.2 Cn1cccn1 PI-37584 [0,1,0,0,1,0|2,0,0]=4 113 B6R1.2 Cn1cncc1 PI-31809 [0,1,0,0,1,0|2,0,0]=4 114 B6R1.2 Ic1c[nH]cn1 PI-31936 [0,1,0,0,1,0|2,0,0]=4 115 B6R1.2 Ic1cc[nH]n1 PI-39060 [0,1,0,0,1,0|2,0,0]=4 116 B6R1.2 Ic1cccs1 PI-11145 [0,1,0,0,1,0|1,0,0]=3 117 B6R1.2 NC1=CN=CS1 PI-33967 [0,1,0,0,1,0|2,0,0]=4 118 B6R1.2 NC1=NC=CO1 PI-40002 [0,1,0,0,1,0|2,0,0]=4 119 B6R1.2 NC1=NOC=C1 PI-13009 [0,1,0,0,1,0|2,0,0]=4 120 B6R1.2 O=C1CC=CC1 PI-38266 [0,1,0,0,1,0|0,0,2]=4 121 B6R1.2 O=c1occo1 PI-15331 [0,1,0,0,1,0|2,0,0]=4 122 B6R1.2 Sc1cccs1 PI-27908 [0,1,0,0,1,0|1,0,0]=3 123 B6R1.2 Sc1nccs1 PI-11130 [0,1,0,0,1,0|2,0,0]=4 124 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [0,2,0,0,0,0|0,0,0]=2 125 B8R1.2 BrCC1=CN=CN=C1 PI-40551 [0,2,0,0,0,0|2,0,0]=4 126 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [0,2,0,0,0,0|0,0,0]=2 127 B8R1.2 C#CC1=CN=CN=C1 PI-35998 [0,2,0,0,0,0|2,0,0]=4 128 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [0,2,0,0,0,0|1,0,0]=3 129 B8R1.2 C1=C(C=NC=N1)CO PI-32945 [0,2,0,0,0,0|2,0,0]=4 130 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [0,2,0,0,0,0|2,0,0]=4 131 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [0,2,0,0,0,0|1,0,0]=3 132 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [0,2,0,0,0,0|1,0,0]=3 133 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [0,2,0,0,0,0|1,0,0]=3 134 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.2 C1=CN=C(C=N1)NN PI-48275 [0,2,0,0,0,0|2,0,0]=4 136 B8R1.2 C1=CN=C(N=C1)C#N PI-15315 [0,2,0,0,0,0|2,0,0]=4 137 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [0,2,0,0,0,0|2,0,0]=4 138 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [0,2,0,0,0,0|2,0,0]=4 139 B8R1.2 C1=CN=CC=C1CCl PI-31734 [0,2,0,0,0,0|1,0,0]=3 140 B8R1.2 C1=CN=CC=C1CO PI-16744 [0,2,0,0,0,0|1,0,0]=3 141 B8R1.2 C1=CN=CN=C1C=O PI-34868 [0,2,0,0,0,0|2,0,0]=4 142 B8R1.2 C1=CN=CN=C1CO PI-35498 [0,2,0,0,0,0|2,0,0]=4 143 B8R1.2 CCC1=CC=CC=N1 PI-49466 [0,2,0,0,0,0|1,0,0]=3 144 B8R1.2 CCC1=NC=CN=C1 PI-11040 [0,2,0,0,0,0|2,0,0]=4 145 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [0,2,0,0,0,0|1,0,0]=3 146 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [0,2,0,0,0,0|1,0,0]=3 147 B8R1.2 CNC1=CC=CC=N1 PI-11864 [0,2,0,0,0,0|1,0,0]=3 148 B8R1.2 CNC1=CC=NC=C1 PI-23603 [0,2,0,0,0,0|1,0,0]=3 149 B8R1.2 CNC1=CN=CC=C1 PI-11328 [0,2,0,0,0,0|1,0,0]=3 150 B8R1.2 COC1=CC=CC=N1 PI-33887 [0,2,0,0,0,0|1,0,0]=3 151 B8R1.2 COC1=CC=NC=C1 PI-10034 [0,2,0,0,0,0|1,0,0]=3 152 B8R1.2 COC1=CN=CC=C1 PI-33889 [0,2,0,0,0,0|1,0,0]=3 153 B8R1.2 COC1=NC=CN=C1 PI-11859 [0,2,0,0,0,0|2,0,0]=4 154 B8R1.2 CSC1=CC=CC=N1 PI-16757 [0,2,0,0,0,0|1,0,0]=3 155 B8R1.2 CSC1=NC=CN=C1 PI-11048 [0,2,0,0,0,0|2,0,0]=4 156 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [0,2,0,0,0,0|2,0,0]=4 157 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [0,2,0,0,0,0|1,0,0]=3 158 B8R1.2 ClCc1ccccn1 PI-16716 [0,2,0,0,0,0|1,0,0]=3 159 B8R1.2 ClCc1ncccn1 PI-35014 [0,2,0,0,0,0|2,0,0]=4 160 B8R1.2 ClCc1ncccn1 PI-40553 [0,2,0,0,0,0|2,0,0]=4 161 B8R1.2 N#Cc1cncnc1 PI-38932 [0,2,0,0,0,0|2,0,0]=4 162 B8R1.2 NCC1=CC=CC=C1 PI-37209 [0,2,0,0,0,0|0,0,0]=2 163 B8R1.2 NCC1=CC=NC=C1 PI-41875 [0,2,0,0,0,0|1,0,0]=3 164 B8R1.2 NCc1ccccn1 PI-33905 [0,2,0,0,0,0|1,0,0]=3 165 B8R1.2 NCc1cccnc1 PI-15236 [0,2,0,0,0,0|1,0,0]=3 166 B8R1.2 NCc1ccncc1 PI-31790 [0,2,0,0,0,0|1,0,0]=3 167 B8R1.2 NCc1ncccn1 PI-34855 [0,2,0,0,0,0|2,0,0]=4 168 B8R1.2 NCc1ncccn1 PI-34856 [0,2,0,0,0,0|2,0,0]=4 169 B8R1.2 NNC1=CC=CC=C1 PI-41551 [0,2,0,0,0,0|0,0,0]=2 170 B8R1.2 O=Cc1ccccn1 PI-33895 [0,2,0,0,0,0|1,0,0]=3 171 B8R1.2 O=Cc1cccnc1 PI-33908 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.2 O=Cc1ccncc1 PI-13140 [0,2,0,0,0,0|1,0,0]=3 173 B8R1.2 OCC1=CC=CN=C1 PI-11019 [0,2,0,0,0,0|1,0,0]=3 174 B8R1.2 OCC1=NC=CC=C1 PI-16261 [0,2,0,0,0,0|1,0,0]=3 175 B8R1.2 OCc1ccncc1 PI-16686 [0,2,0,0,0,0|1,0,0]=3 176 B8R1.2 ONc1ccccc1 PI-38448 [0,2,0,0,0,0|0,0,0]=2 177 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [0,2,0,0,0,0|0,0,0]=2 178 B8R1.2 c1nccnc1C#N PI-11837 [0,2,0,0,0,0|2,0,0]=4 179 B8R1.3 Brc1ccc(C)cn1 PI-10149 [0,2,0,0,0,0|1,0,0]=3 180 B8R1.3 Brc1ccc(I)cc1 PI-21525 [0,2,0,0,0,0|0,0,0]=2 181 B8R1.3 Brc1ccc(cn1)F PI-23448 [0,2,0,0,0,0|1,0,0]=3 182 B8R1.3 Brc1ccc(cn1)N PI-31056 [0,2,0,0,0,0|1,0,0]=3 183 B8R1.3 Brc1cnc(Cl)nc1 PI-20664 [0,2,0,0,0,0|2,0,0]=4 184 B8R1.3 Brc1cnc(nc1)I PI-24188 [0,2,0,0,0,0|2,0,0]=4 185 B8R1.3 Brc1cnc(nc1)N PI-31304 [0,2,0,0,0,0|2,0,0]=4 186 B8R1.3 C1=C(C=NC(=N1)Cl)Cl PI-32939 [0,2,0,0,0,0|2,0,0]=4 187 B8R1.3 C1=C(C=NC(=N1)Cl)I PI-39116 [0,2,0,0,0,0|2,0,0]=4 188 B8R1.3 C1=C(C=NC(=N1)Cl)O PI-40987 [0,2,0,0,0,0|2,0,0]=4 189 B8R1.3 C1=C(C=NC(=N1)F)I PI-45099 [0,2,0,0,0,0|2,0,0]=4 190 B8R1.3 C1=C(C=NC(=N1)N)Cl PI-30697 [0,2,0,0,0,0|2,0,0]=4 191 B8R1.3 C1=C(C=NC(=N1)N)F PI-43297 [0,2,0,0,0,0|2,0,0]=4 192 B8R1.3 C1=C(C=NC(=N1)N)I PI-21304 [0,2,0,0,0,0|2,0,0]=4 193 B8R1.3 C1=C(C=NC(=N1)N)N PI-34826 [0,2,0,0,0,0|2,0,0]=4 194 B8R1.3 C1=C(C=NC(=O)N1)Br PI-31176 [0,2,0,0,0,0|2,0,0]=4 195 B8R1.3 C1=C(C=NC(=O)N1)I PI-32628 [0,2,0,0,0,0|2,0,0]=4 196 B8R1.3 C1=C(I)C=CC(=N1)Br PI-38918 [0,2,0,0,0,0|1,0,0]=3 197 B8R1.3 C1=C(N=CC(=N1)Br)Br PI-45094 [0,2,0,0,0,0|2,0,0]=4 198 B8R1.3 C1=C(N=CC(=N1)Br)N PI-45009 [0,2,0,0,0,0|2,0,0]=4 199 B8R1.3 C1=C(N=CC(=N1)Cl)Cl PI-43294 [0,2,0,0,0,0|2,0,0]=4 200 B8R1.3 C1=C(N=CC(=N1)Cl)N PI-44940 [0,2,0,0,0,0|2,0,0]=4 201 B8R1.3 C1=C(N=CC(=O)N1)Cl PI-45666 [0,2,0,0,0,0|2,0,0]=4 202 B8R1.3 C1=CC(=CC=C1Cl)Br PI-48678 [0,2,0,0,0,0|0,0,0]=2 203 B8R1.3 C1=CC(=CC=C1Cl)I PI-20137 [0,2,0,0,0,0|0,0,0]=2 204 B8R1.3 C1=CC(=CC=C1F)S PI-17595 [0,2,0,0,0,0|0,0,0]=2 205 B8R1.3 C1=CC(=CC=C1F)[S-] PI-28110 [0,2,0,0,0,0|0,0,0]=2 206 B8R1.3 C1=CC(=CC=C1N)S PI-14246 [0,2,0,0,0,0|0,0,0]=2 207 B8R1.3 C1=CC(=CC=C1S)Br PI-21352 [0,2,0,0,0,0|0,0,0]=2 208 B8R1.3 C1=CC(=NC=C1Br)F PI-23450 [0,2,0,0,0,0|1,0,0]=3 209 B8R1.3 C1=CC(=NC=C1Br)I PI-22827 [0,2,0,0,0,0|1,0,0]=3 210 B8R1.3 C1=CC(=NC=C1Cl)Br PI-10389 [0,2,0,0,0,0|1,0,0]=3 211 B8R1.3 C1=CC(=NC=C1Cl)F PI-16762 [0,2,0,0,0,0|1,0,0]=3 212 B8R1.3 C1=CC(=NC=C1Cl)I PI-34652 [0,2,0,0,0,0|1,0,0]=3 213 B8R1.3 C1=CC(=NC=C1F)Cl PI-10085 [0,2,0,0,0,0|1,0,0]=3 214 B8R1.3 C1=CC(=NC=C1F)N PI-23434 [0,2,0,0,0,0|1,0,0]=3 215 B8R1.3 C1=CC(=NC=C1I)Cl PI-20140 [0,2,0,0,0,0|1,0,0]=3 216 B8R1.3 C1=CC(=NC=C1I)F PI-16769 [0,2,0,0,0,0|1,0,0]=3 217 B8R1.3 C1=CC(=NC=C1N)N PI-33879 [0,2,0,0,0,0|1,0,0]=3 218 B8R1.3 C1=CC(=NC=C1O)Cl PI-10086 [0,2,0,0,0,0|1,0,0]=3 219 B8R1.3 C1=CC(=NC=C1O)I PI-34186 [0,2,0,0,0,0|1,0,0]=3 220 B8R1.3 C1=CC(=NC=C1O)N PI-34189 [0,2,0,0,0,0|1,0,0]=3 221 B8R1.3 C1=CC(=NN=C1Cl)I PI-40021 [0,2,0,0,0,0|2,0,0]=4 222 B8R1.3 C1=CC(=NN=C1N)Cl PI-30704 [0,2,0,0,0,0|2,0,0]=4 223 B8R1.3 C1=CC(=NNC1=O)Cl PI-48747 [0,2,0,0,0,0|2,0,0]=4 224 B8R1.3 CC1=CN=C(C=C1)F PI-34372 [0,2,0,0,0,0|1,0,0]=3 225 B8R1.3 CC1=CN=C(C=N1)C PI-29099 [0,2,0,0,0,0|2,0,0]=4 226 B8R1.3 CC1=CN=C(C=N1)N PI-48187 [0,2,0,0,0,0|2,0,0]=4 227 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [0,2,0,0,0,0|1,0,0]=3 228 B8R1.3 CC1=NC=C(C=C1)F PI-16773 [0,2,0,0,0,0|1,0,0]=3 229 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [0,2,0,0,0,0|1,0,0]=3 230 B8R1.3 CC1=NC=C(C=N1)Br PI-35175 [0,2,0,0,0,0|2,0,0]=4 231 B8R1.3 CC1=NC=C(C=N1)F PI-45025 [0,2,0,0,0,0|2,0,0]=4 232 B8R1.3 CC1=NC=C(C=N1)N PI-32948 [0,2,0,0,0,0|2,0,0]=4 233 B8R1.3 CC1=NC=C(C=N1)O PI-42081 [0,2,0,0,0,0|2,0,0]=4 234 B8R1.3 CC1=NN=C(C=C1)N PI-44739 [0,2,0,0,0,0|2,0,0]=4 235 B8R1.3 CC1=NNC(=O)C=C1 PI-44765 [0,2,0,0,0,0|2,0,0]=4 236 B8R1.3 Cc1ccc(Cl)cn1 PI-36942 [0,2,0,0,0,0|1,0,0]=3 237 B8R1.3 Cc1ccc(Cl)nn1 PI-30064 [0,2,0,0,0,0|2,0,0]=4 238 B8R1.3 Cc1ccc(F)cc1 PI-34120 [0,2,0,0,0,0|0,0,0]=2 239 B8R1.3 Cc1ccc(I)cc1 PI-13709 [0,2,0,0,0,0|0,0,0]=2 240 B8R1.3 Cc1ccc(cn1)Br PI-23479 [0,2,0,0,0,0|1,0,0]=3 241 B8R1.3 Cc1ccc(cn1)N PI-13104 [0,2,0,0,0,0|1,0,0]=3 242 B8R1.3 Cc1ncc(nc1)Br PI-36981 [0,2,0,0,0,0|2,0,0]=4 243 B8R1.3 ClC1=NN=C(Cl)C=C1 PI-16281 [0,2,0,0,0,0|2,0,0]=4 244 B8R1.3 Clc1ccc(Br)cn1 PI-31223 [0,2,0,0,0,0|1,0,0]=3 245 B8R1.3 Clc1ccc(Cl)nc1 PI-10179 [0,2,0,0,0,0|1,0,0]=3 246 B8R1.3 Clc1ccc(cn1)C PI-16696 [0,2,0,0,0,0|1,0,0]=3 247 B8R1.3 Clc1ccc(cn1)N PI-10026 [0,2,0,0,0,0|1,0,0]=3 248 B8R1.3 Clc1cnc(O)nc1 PI-21321 [0,2,0,0,0,0|2,0,0]=4 249 B8R1.3 Clc1cnc(nc1)I PI-38331 [0,2,0,0,0,0|2,0,0]=4 250 B8R1.3 Clc1ncc(nc1)Br PI-39468 [0,2,0,0,0,0|2,0,0]=4 251 B8R1.3 FC1=CC=C(Br)C=C1 PI-33066 [0,2,0,0,0,0|0,0,0]=2 252 B8R1.3 FC1=NC=C(C=C1)O PI-40204 [0,2,0,0,0,0|1,0,0]=3 253 B8R1.3 Fc1ccc(I)cc1 PI-15769 [0,2,0,0,0,0|0,0,0]=2 254 B8R1.3 Fc1ccc(N)cn1 PI-10292 [0,2,0,0,0,0|1,0,0]=3 255 B8R1.3 Fc1ccc(cc1)F PI-11683 [0,2,0,0,0,0|0,0,0]=2 256 B8R1.3 Fc1ccc(cn1)F PI-35922 [0,2,0,0,0,0|1,0,0]=3 257 B8R1.3 Fc1cnc(Cl)nc1 PI-21320 [0,2,0,0,0,0|2,0,0]=4 258 B8R1.3 Ic1ccc(cc1)I PI-10976 [0,2,0,0,0,0|0,0,0]=2 259 B8R1.3 Ic1ccc(cn1)I PI-32190 [0,2,0,0,0,0|1,0,0]=3 260 B8R1.3 NC1=CN=C(N)C=C1 PI-16689 [0,2,0,0,0,0|1,0,0]=3 261 B8R1.3 Nc1ccc(O)cc1 PI-34110 [0,2,0,0,0,0|0,0,0]=2 262 B8R1.3 Nc1ccc(cc1)F PI-33065 [0,2,0,0,0,0|0,0,0]=2 263 B8R1.3 Nc1ccc(cc1)I PI-25653 [0,2,0,0,0,0|0,0,0]=2 264 B8R1.3 Nc1ccc(cn1)Br PI-22846 [0,2,0,0,0,0|1,0,0]=3 265 B8R1.3 Nc1ccc(cn1)C PI-25208 [0,2,0,0,0,0|1,0,0]=3 266 B8R1.3 Nc1ccc(cn1)Cl PI-31015 [0,2,0,0,0,0|1,0,0]=3 267 B8R1.3 Nc1ccc(cn1)I PI-10252 [0,2,0,0,0,0|1,0,0]=3 268 B8R1.3 Nc1cnc(nc1)Cl PI-21313 [0,2,0,0,0,0|2,0,0]=4 269 B8R1.3 OC1=CN=C(Br)C=C1 PI-40203 [0,2,0,0,0,0|1,0,0]=3 270 B8R1.3 OC1=NC=C(N)C=C1 PI-37317 [0,2,0,0,0,0|1,0,0]=3 271 B8R1.3 Oc1ccc(Br)cc1 PI-22230 [0,2,0,0,0,0|0,0,0]=2 272 B8R1.3 Oc1ccc(I)cc1 PI-10956 [0,2,0,0,0,0|0,0,0]=2 273 B8R1.3 Oc1ccc(cc1)F PI-27532 [0,2,0,0,0,0|0,0,0]=2 274 B8R1.3 Oc1ccc(cc1)S PI-21361 [0,2,0,0,0,0|0,0,0]=2 275 B8R1.3 Oc1ccc(cn1)Br PI-16568 [0,2,0,0,0,0|1,0,0]=3 276 B8R1.3 Oc1ccc(cn1)C PI-37410 [0,2,0,0,0,0|1,0,0]=3 277 B8R1.3 Oc1ccc(cn1)Cl PI-15823 [0,2,0,0,0,0|1,0,0]=3 278 B8R1.3 Oc1ccc(cn1)F PI-34437 [0,2,0,0,0,0|1,0,0]=3 279 B8R1.3 Oc1ccc(cn1)N PI-28402 [0,2,0,0,0,0|1,0,0]=3 280 B8R1.3 Oc1cnc(N)nc1 PI-36493 [0,2,0,0,0,0|2,0,0]=4 281 B8R1.3 [O-][n+]1ccc(cc1)C PI-33172 [0,2,0,0,0,0|1,0,0]=3 282 B8R1.4 BrC1=NC=CC(N)=N1 PI-46732 [0,2,0,0,0,0|2,0,0]=4 283 B8R1.4 Brc1cc[nH]c(=O)c1 PI-38916 [0,2,0,0,0,0|1,0,0]=3 284 B8R1.4 Brc1cccc(I)c1 PI-21524 [0,2,0,0,0,0|0,0,0]=2 285 B8R1.4 Brc1cccc(I)n1 PI-36513 [0,2,0,0,0,0|1,0,0]=3 286 B8R1.4 Brc1cccc(c1)Br PI-11676 [0,2,0,0,0,0|0,0,0]=2 287 B8R1.4 Brc1cccc(n1)Br PI-31381 [0,2,0,0,0,0|1,0,0]=3 288 B8R1.4 Brc1ccnc(c1)C PI-32240 [0,2,0,0,0,0|1,0,0]=3 289 B8R1.4 Brc1ccnc(c1)Cl PI-31296 [0,2,0,0,0,0|1,0,0]=3 290 B8R1.4 Brc1ccnc(c1)N PI-35022 [0,2,0,0,0,0|1,0,0]=3 291 B8R1.4 Brc1cncc(Br)c1 PI-10080 [0,2,0,0,0,0|1,0,0]=3 292 B8R1.4 Brc1ncnc(c1)Br PI-38773 [0,2,0,0,0,0|2,0,0]=4 293 B8R1.4 C1=C(C=NC=C1Br)Cl PI-34454 [0,2,0,0,0,0|1,0,0]=3 294 B8R1.4 C1=C(C=NC=C1Br)F PI-10088 [0,2,0,0,0,0|1,0,0]=3 295 B8R1.4 C1=C(C=NC=C1Br)N PI-10515 [0,2,0,0,0,0|1,0,0]=3 296 B8R1.4 C1=C(C=NC=C1Cl)Cl PI-32420 [0,2,0,0,0,0|1,0,0]=3 297 B8R1.4 C1=C(C=NC=C1Cl)F PI-34439 [0,2,0,0,0,0|1,0,0]=3 298 B8R1.4 C1=C(C=NC=C1Cl)O PI-40461 [0,2,0,0,0,0|1,0,0]=3 299 B8R1.4 C1=C(C=NN=C1N)Br PI-44595 [0,2,0,0,0,0|2,0,0]=4 300 B8R1.4 C1=C(C=NN=C1N)Br PI-44596 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.4 C1=C(N=C(C=N1)Cl)N PI-30484 [0,2,0,0,0,0|2,0,0]=4 302 B8R1.4 C1=C(N=CN=C1N)N PI-21325 [0,2,0,0,0,0|2,0,0]=4 303 B8R1.4 C1=C(N=CNC1=O)Cl PI-16343 [0,2,0,0,0,0|2,0,0]=4 304 B8R1.4 C1=C(N=CNC1=O)N PI-21312 [0,2,0,0,0,0|2,0,0]=4 305 B8R1.4 C1=C(N=CNC1=O)O PI-15320 [0,2,0,0,0,0|2,0,0]=4 306 B8R1.4 C1=C(NC(=S)N=C1)N PI-21307 [0,2,0,0,0,0|2,0,0]=4 307 B8R1.4 C1=CC(=CC(=C1)Br)F PI-12279 [0,2,0,0,0,0|0,0,0]=2 308 B8R1.4 C1=CC(=CC(=C1)Br)S PI-15584 [0,2,0,0,0,0|0,0,0]=2 309 B8R1.4 C1=CC(=CC(=C1)F)O PI-16947 [0,2,0,0,0,0|0,0,0]=2 310 B8R1.4 C1=CC(=CC(=C1)I)F PI-12350 [0,2,0,0,0,0|0,0,0]=2 311 B8R1.4 C1=CC(=CC(=C1)I)N PI-41422 [0,2,0,0,0,0|0,0,0]=2 312 B8R1.4 C1=CC(=C[N+](=C1)[O-])Br PI-42571 [0,2,0,0,0,0|1,0,0]=3 313 B8R1.4 C1=CC(=C[N+](=C1)[O-])Cl PI-42572 [0,2,0,0,0,0|1,0,0]=3 314 B8R1.4 C1=CC(=C[N+](=C1)[O-])O PI-13309 [0,2,0,0,0,0|1,0,0]=3 315 B8R1.4 C1=CC(=NC(=C1)Br)F PI-33061 [0,2,0,0,0,0|1,0,0]=3 316 B8R1.4 C1=CC(=NC(=C1)Br)N PI-14243 [0,2,0,0,0,0|1,0,0]=3 317 B8R1.4 C1=CC(=NC(=C1)Cl)F PI-34440 [0,2,0,0,0,0|1,0,0]=3 318 B8R1.4 C1=CC(=O)NC(=C1)N PI-28596 [0,2,0,0,0,0|1,0,0]=3 319 B8R1.4 C1=CC(=O)NC(=C1)O PI-11767 [0,2,0,0,0,0|1,0,0]=3 320 B8R1.4 C1=CN=C(C=C1Br)F PI-24079 [0,2,0,0,0,0|1,0,0]=3 321 B8R1.4 C1=CN=C(C=C1F)F PI-40869 [0,2,0,0,0,0|1,0,0]=3 322 B8R1.4 C1=CN=C(C=C1I)Cl PI-11387 [0,2,0,0,0,0|1,0,0]=3 323 B8R1.4 C1=CN=C(N=C1Br)Br PI-50057 [0,2,0,0,0,0|2,0,0]=4 324 B8R1.4 C1=CN=C(N=C1Cl)Br PI-39637 [0,2,0,0,0,0|2,0,0]=4 325 B8R1.4 C1=CN=C(N=C1N)Cl PI-10283 [0,2,0,0,0,0|2,0,0]=4 326 B8R1.4 C1=CN=C(N=C1N)F PI-45161 [0,2,0,0,0,0|2,0,0]=4 327 B8R1.4 C1=CN=C(N=C1N)N PI-11759 [0,2,0,0,0,0|2,0,0]=4 328 B8R1.4 C1=CN=C(NC1=O)N PI-12796 [0,2,0,0,0,0|2,0,0]=4 329 B8R1.4 C1=CNC(=CC1=O)Br PI-35008 [0,2,0,0,0,0|1,0,0]=3 330 B8R1.4 C1=CNC(=CC1=O)Cl PI-11015 [0,2,0,0,0,0|1,0,0]=3 331 B8R1.4 C1=CNC(=O)C=C1N PI-34824 [0,2,0,0,0,0|1,0,0]=3 332 B8R1.4 C1=CNC(=O)C=C1O PI-10171 [0,2,0,0,0,0|1,0,0]=3 333 B8R1.4 C1=CNC(=S)NC1=O PI-48541 [0,2,0,0,0,0|2,0,0]=4 334 B8R1.4 CC1=CC(=CC=C1)I PI-10981 [0,2,0,0,0,0|0,0,0]=2 335 B8R1.4 CC1=CC(=CN=C1)Br PI-27499 [0,2,0,0,0,0|1,0,0]=3 336 B8R1.4 CC1=CC(=CN=C1)F PI-16772 [0,2,0,0,0,0|1,0,0]=3 337 B8R1.4 CC1=CC(=NC=C1)Br PI-10385 [0,2,0,0,0,0|1,0,0]=3 338 B8R1.4 CC1=CC(=NC=C1)Cl PI-16626 [0,2,0,0,0,0|1,0,0]=3 339 B8R1.4 CC1=CC(=NC=N1)Br PI-45128 [0,2,0,0,0,0|2,0,0]=4 340 B8R1.4 CC1=CC(=O)NC=N1 PI-32627 [0,2,0,0,0,0|2,0,0]=4 341 B8R1.4 CC1=CC(=O)NN=C1 PI-34651 [0,2,0,0,0,0|2,0,0]=4 342 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [0,2,0,0,0,0|1,0,0]=3 343 B8R1.4 CC1=CN=CC(=N1)C PI-11052 [0,2,0,0,0,0|2,0,0]=4 344 B8R1.4 CC1=C[N+](=CC=C1)[O-] PI-33810 [0,2,0,0,0,0|1,0,0]=3 345 B8R1.4 CC1=NC(=CC=C1)Br PI-23524 [0,2,0,0,0,0|1,0,0]=3 346 B8R1.4 CC1=NC(=NC=C1)Br PI-21314 [0,2,0,0,0,0|2,0,0]=4 347 B8R1.4 CC1=NC=CC(=C1)N PI-13314 [0,2,0,0,0,0|1,0,0]=3 348 B8R1.4 Cc1cc[nH]c(=O)n1 PI-21340 [0,2,0,0,0,0|2,0,0]=4 349 B8R1.4 Cc1cccc(N)n1 PI-32836 [0,2,0,0,0,0|1,0,0]=3 350 B8R1.4 Cc1cccc(n1)Cl PI-28225 [0,2,0,0,0,0|1,0,0]=3 351 B8R1.4 Cc1cccc(n1)F PI-16770 [0,2,0,0,0,0|1,0,0]=3 352 B8R1.4 Cc1ccnc(Cl)n1 PI-32949 [0,2,0,0,0,0|2,0,0]=4 353 B8R1.4 Cc1ccnc(N)c1 PI-32462 [0,2,0,0,0,0|1,0,0]=3 354 B8R1.4 Cc1ccnc(c1)F PI-23598 [0,2,0,0,0,0|1,0,0]=3 355 B8R1.4 Cc1ccnc(n1)N PI-21305 [0,2,0,0,0,0|2,0,0]=4 356 B8R1.4 Cc1ccnc(n1)S PI-21344 [0,2,0,0,0,0|2,0,0]=4 357 B8R1.4 Cc1cncc(Br)n1 PI-32830 [0,2,0,0,0,0|2,0,0]=4 358 B8R1.4 Clc1cccc(c1)I PI-39251 [0,2,0,0,0,0|0,0,0]=2 359 B8R1.4 Clc1ccnc(Cl)c1 PI-16701 [0,2,0,0,0,0|1,0,0]=3 360 B8R1.4 Clc1ccnc(Cl)n1 PI-28484 [0,2,0,0,0,0|2,0,0]=4 361 B8R1.4 Clc1ccnc(c1)N PI-11783 [0,2,0,0,0,0|1,0,0]=3 362 B8R1.4 Clc1ccnc(n1)C PI-38934 [0,2,0,0,0,0|2,0,0]=4 363 B8R1.4 Clc1ccnc(n1)N PI-27559 [0,2,0,0,0,0|2,0,0]=4 364 B8R1.4 Clc1cncc(Cl)n1 PI-16282 [0,2,0,0,0,0|2,0,0]=4 365 B8R1.4 Clc1ncnc(Cl)c1 PI-31039 [0,2,0,0,0,0|2,0,0]=4 366 B8R1.4 FC1=CC(=CN=C1)O PI-40460 [0,2,0,0,0,0|1,0,0]=3 367 B8R1.4 Fc1cccc(Cl)c1 PI-33064 [0,2,0,0,0,0|0,0,0]=2 368 B8R1.4 Fc1cccc(c1)F PI-11677 [0,2,0,0,0,0|0,0,0]=2 369 B8R1.4 Fc1cccc(c1)S PI-16910 [0,2,0,0,0,0|0,0,0]=2 370 B8R1.4 Fc1cccc(n1)F PI-11766 [0,2,0,0,0,0|1,0,0]=3 371 B8R1.4 Fc1ccnc(Cl)c1 PI-16761 [0,2,0,0,0,0|1,0,0]=3 372 B8R1.4 Fc1ccnc(c1)Br PI-34451 [0,2,0,0,0,0|1,0,0]=3 373 B8R1.4 Fc1cncc(c1)F PI-33060 [0,2,0,0,0,0|1,0,0]=3 374 B8R1.4 Ic1ccnc(Br)c1 PI-27035 [0,2,0,0,0,0|1,0,0]=3 375 B8R1.4 Ic1ccnc(N)c1 PI-36261 [0,2,0,0,0,0|1,0,0]=3 376 B8R1.4 Ic1ccnc(c1)F PI-34431 [0,2,0,0,0,0|1,0,0]=3 377 B8R1.4 NC1=CC(=CN=C1)F PI-40469 [0,2,0,0,0,0|1,0,0]=3 378 B8R1.4 NC1=CC(N)=NC=C1 PI-37257 [0,2,0,0,0,0|1,0,0]=3 379 B8R1.4 NC1=NC=CC(=C1)F PI-39567 [0,2,0,0,0,0|1,0,0]=3 380 B8R1.4 NC1=NC=CC(=N1)Br PI-40255 [0,2,0,0,0,0|2,0,0]=4 381 B8R1.4 Nc1cc[nH]c(=O)n1 PI-16002 [0,2,0,0,0,0|2,0,0]=4 382 B8R1.4 Nc1cccc(F)c1 PI-16946 [0,2,0,0,0,0|0,0,0]=2 383 B8R1.4 Nc1cccc(F)n1 PI-15934 [0,2,0,0,0,0|1,0,0]=3 384 B8R1.4 Nc1cccc(N)n1 PI-33126 [0,2,0,0,0,0|1,0,0]=3 385 B8R1.4 Nc1cccc(S)c1 PI-21351 [0,2,0,0,0,0|0,0,0]=2 386 B8R1.4 Nc1cccc(n1)Cl PI-27605 [0,2,0,0,0,0|1,0,0]=3 387 B8R1.4 Nc1ccnc(c1)Br PI-23436 [0,2,0,0,0,0|1,0,0]=3 388 B8R1.4 Nc1ccnc(c1)Cl PI-23438 [0,2,0,0,0,0|1,0,0]=3 389 B8R1.4 Nc1cnnc(c1)Cl PI-39012 [0,2,0,0,0,0|2,0,0]=4 390 B8R1.4 Nc1ncnc(c1)Cl PI-21308 [0,2,0,0,0,0|2,0,0]=4 391 B8R1.4 O=C1C=CC=C(Cl)N1 PI-35283 [0,2,0,0,0,0|1,0,0]=3 392 B8R1.4 O=C1NC(C=CN1)=O PI-37339 [0,2,0,0,0,0|2,0,0]=4 393 B8R1.4 OC1=NC=CC(C)=C1 PI-28120 [0,2,0,0,0,0|1,0,0]=3 394 B8R1.4 Oc1cccc(c1)I PI-10955 [0,2,0,0,0,0|0,0,0]=2 395 B8R1.4 Oc1cccc(c1)S PI-21360 [0,2,0,0,0,0|0,0,0]=2 396 B8R1.4 Oc1ccnc(c1)N PI-34188 [0,2,0,0,0,0|1,0,0]=3 397 B8R1.4 Oc1ccnc(n1)Cl PI-38931 [0,2,0,0,0,0|2,0,0]=4 398 B8R1.4 Oc1cncc(c1)Br PI-27886 [0,2,0,0,0,0|1,0,0]=3 399 B8R1.4 S=c1cc[nH]c(=O)[nH]1 PI-12580 [0,2,0,0,0,0|2,0,0]=4 400 B8R1.4 Sc1cccc(Cl)c1 PI-11010 [0,2,0,0,0,0|0,0,0]=2 401 B8R1.4 [O-][n+]1cccc(F)c1 PI-33008 [0,2,0,0,0,0|1,0,0]=3 402 B8R1.5 BrC1=NC=CC=C1N PI-28492 [0,2,0,0,0,0|1,0,0]=3 403 B8R1.5 Brc1ccccc1Br PI-38145 [0,2,0,0,0,0|0,0,0]=2 404 B8R1.5 Brc1cccnc1Cl PI-28602 [0,2,0,0,0,0|1,0,0]=3 405 B8R1.5 Brc1cccnc1N PI-30126 [0,2,0,0,0,0|1,0,0]=3 406 B8R1.5 C1=C(C(=NC=N1)Cl)F PI-42904 [0,2,0,0,0,0|2,0,0]=4 407 B8R1.5 C1=C(C(=NC=N1)N)F PI-45138 [0,2,0,0,0,0|2,0,0]=4 408 B8R1.5 C1=C(C(=O)NC=N1)Br PI-45070 [0,2,0,0,0,0|2,0,0]=4 409 B8R1.5 C1=C(C(=O)NC=N1)F PI-15254 [0,2,0,0,0,0|2,0,0]=4 410 B8R1.5 C1=C(C(=O)NC=N1)N PI-45141 [0,2,0,0,0,0|2,0,0]=4 411 B8R1.5 C1=CC(=C(N=C1)Br)Br PI-28122 [0,2,0,0,0,0|1,0,0]=3 412 B8R1.5 C1=CC(=C(N=C1)Br)Cl PI-27992 [0,2,0,0,0,0|1,0,0]=3 413 B8R1.5 C1=CC(=C(N=C1)Br)F PI-34450 [0,2,0,0,0,0|1,0,0]=3 414 B8R1.5 C1=CC(=C(N=C1)Cl)Cl PI-10112 [0,2,0,0,0,0|1,0,0]=3 415 B8R1.5 C1=CC(=C(N=C1)Cl)F PI-16375 [0,2,0,0,0,0|1,0,0]=3 416 B8R1.5 C1=CC(=C(N=C1)Cl)I PI-11389 [0,2,0,0,0,0|1,0,0]=3 417 B8R1.5 C1=CC(=C(N=C1)Cl)O PI-16697 [0,2,0,0,0,0|1,0,0]=3 418 B8R1.5 C1=CC(=C(N=C1)F)I PI-16040 [0,2,0,0,0,0|1,0,0]=3 419 B8R1.5 C1=CC(=C(N=C1)F)N PI-16374 [0,2,0,0,0,0|1,0,0]=3 420 B8R1.5 C1=CC(=C(N=C1)F)O PI-40205 [0,2,0,0,0,0|1,0,0]=3 421 B8R1.5 C1=CC(=C(N=C1)N)Cl PI-31793 [0,2,0,0,0,0|1,0,0]=3 422 B8R1.5 C1=CC(=O)N(C=C1)O PI-43160 [0,2,0,0,0,0|1,0,0]=3 423 B8R1.5 C1=CC(=S)N(C=C1)O PI-13313 [0,2,0,0,0,0|1,0,0]=3 424 B8R1.5 C1=CC(=S)N(C=C1)O PI-15830 [0,2,0,0,0,0|1,0,0]=3 425 B8R1.5 C1=CC=C(C(=C1)Cl)Br PI-41004 [0,2,0,0,0,0|0,0,0]=2 426 B8R1.5 C1=CC=C(C(=C1)Cl)Cl PI-21004 [0,2,0,0,0,0|0,0,0]=2 427 B8R1.5 C1=CC=C(C(=C1)F)I PI-23606 [0,2,0,0,0,0|0,0,0]=2 428 B8R1.5 C1=CC=C(C(=C1)F)S PI-16911 [0,2,0,0,0,0|0,0,0]=2 429 B8R1.5 C1=CC=C(C(=C1)N)I PI-10964 [0,2,0,0,0,0|0,0,0]=2 430 B8R1.5 C1=CC=C(C(=C1)N)N PI-17100 [0,2,0,0,0,0|0,0,0]=2 431 B8R1.5 C1=CC=C(C(=C1)O)F PI-11848 [0,2,0,0,0,0|0,0,0]=2 432 B8R1.5 C1=CC=[N+](C(=C1)Br)[O-] PI-10991 [0,2,0,0,0,0|1,0,0]=3 433 B8R1.5 C1=CC=[N+](C(=C1)Br)[O-] PI-31783 [0,2,0,0,0,0|1,0,0]=3 434 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] PI-11832 [0,2,0,0,0,0|1,0,0]=3 435 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] PI-42568 [0,2,0,0,0,0|1,0,0]=3 436 B8R1.5 C1=CN=C(C(=N1)C)N PI-40999 [0,2,0,0,0,0|2,0,0]=4 437 B8R1.5 C1=CN=C(C(=N1)Cl)Cl PI-11728 [0,2,0,0,0,0|2,0,0]=4 438 B8R1.5 C1=CN=CC(=C1Cl)Br PI-28453 [0,2,0,0,0,0|1,0,0]=3 439 B8R1.5 C1=CN=CC(=C1Cl)Cl PI-28640 [0,2,0,0,0,0|1,0,0]=3 440 B8R1.5 C1=CN=CC(=C1Cl)F PI-10413 [0,2,0,0,0,0|1,0,0]=3 441 B8R1.5 C1=CN=CC(=C1Cl)N PI-28262 [0,2,0,0,0,0|1,0,0]=3 442 B8R1.5 C1=CN=CC(=C1I)F PI-34425 [0,2,0,0,0,0|1,0,0]=3 443 B8R1.5 C1=CNC(=O)C(=C1)Cl PI-35282 [0,2,0,0,0,0|1,0,0]=3 444 B8R1.5 C1=CNC(=O)C(=C1)F PI-34509 [0,2,0,0,0,0|1,0,0]=3 445 B8R1.5 C1=CNC(=O)C(=C1)N PI-10375 [0,2,0,0,0,0|1,0,0]=3 446 B8R1.5 C1=CNC(=S)C(=C1)N PI-36113 [0,2,0,0,0,0|1,0,0]=3 447 B8R1.5 C1=CNC=C(C1=O)N PI-28705 [0,2,0,0,0,0|1,0,0]=3 448 B8R1.5 CC1=C(Br)C=CN=C1 PI-40508 [0,2,0,0,0,0|1,0,0]=3 449 B8R1.5 CC1=C(C=CC=N1)Br PI-23460 [0,2,0,0,0,0|1,0,0]=3 450 B8R1.5 CC1=C(C=CN=C1)Cl PI-40252 [0,2,0,0,0,0|1,0,0]=3 451 B8R1.5 CC1=C(C=CN=C1)N PI-14242 [0,2,0,0,0,0|1,0,0]=3 452 B8R1.5 CC1=C(C=NC=C1)F PI-16771 [0,2,0,0,0,0|1,0,0]=3 453 B8R1.5 CC1=C(C=NC=C1)O PI-34258 [0,2,0,0,0,0|1,0,0]=3 454 B8R1.5 CC1=C(N=CC=C1)F PI-16763 [0,2,0,0,0,0|1,0,0]=3 455 B8R1.5 CC1=C(N=CC=C1)N PI-33812 [0,2,0,0,0,0|1,0,0]=3 456 B8R1.5 CC1=CC=CC=C1I PI-10980 [0,2,0,0,0,0|0,0,0]=2 457 B8R1.5 CC1=CC=CC=[N+]1N PI-45950 [0,2,0,0,0,0|1,0,0]=3 458 B8R1.5 CC1=NC=CN=C1C PI-11734 [0,2,0,0,0,0|2,0,0]=4 459 B8R1.5 CC1=NC=CN=C1Cl PI-11816 [0,2,0,0,0,0|2,0,0]=4 460 B8R1.5 CC1=NC=CNC1=O PI-40998 [0,2,0,0,0,0|2,0,0]=4 461 B8R1.5 Cc1ccccc1F PI-34118 [0,2,0,0,0,0|0,0,0]=2 462 B8R1.5 Cc1cccnc1Br PI-28405 [0,2,0,0,0,0|1,0,0]=3 463 B8R1.5 Cc1cccnc1Cl PI-33878 [0,2,0,0,0,0|1,0,0]=3 464 B8R1.5 Cc1ccncc1Br PI-23509 [0,2,0,0,0,0|1,0,0]=3 465 B8R1.5 Cc1ccncc1N PI-24336 [0,2,0,0,0,0|1,0,0]=3 466 B8R1.5 Cc1ccnnc1Cl PI-34083 [0,2,0,0,0,0|2,0,0]=4 467 B8R1.5 Cc1cnccc1Br PI-33360 [0,2,0,0,0,0|1,0,0]=3 468 B8R1.5 Cc1cnccc1O PI-38275 [0,2,0,0,0,0|1,0,0]=3 469 B8R1.5 ClC1=CC=NN=C1Cl PI-37111 [0,2,0,0,0,0|2,0,0]=4 470 B8R1.5 Clc1cccc[n+]1C PI-17309 [0,2,0,0,0,0|1,0,0]=3 471 B8R1.5 Clc1ncncc1Cl PI-31681 [0,2,0,0,0,0|2,0,0]=4 472 B8R1.5 FC1=NC=CC=C1Br PI-34449 [0,2,0,0,0,0|1,0,0]=3 473 B8R1.5 Fc1ccccc1Br PI-33063 [0,2,0,0,0,0|0,0,0]=2 474 B8R1.5 Fc1ccccc1F PI-11671 [0,2,0,0,0,0|0,0,0]=2 475 B8R1.5 Fc1cnccc1Br PI-10110 [0,2,0,0,0,0|1,0,0]=3 476 B8R1.5 Fc1ncccc1F PI-16764 [0,2,0,0,0,0|1,0,0]=3 477 B8R1.5 IC1=CC=CC=C1Br PI-21523 [0,2,0,0,0,0|0,0,0]=2 478 B8R1.5 IC1=CC=CC=C1I PI-21274 [0,2,0,0,0,0|0,0,0]=2 479 B8R1.5 Ic1cccnc1N PI-36512 [0,2,0,0,0,0|1,0,0]=3 480 B8R1.5 Ic1cncnc1Cl PI-39068 [0,2,0,0,0,0|2,0,0]=4 481 B8R1.5 NC1=C(C=NC=C1)F PI-40470 [0,2,0,0,0,0|1,0,0]=3 482 B8R1.5 Nc1cccnc1C PI-13066 [0,2,0,0,0,0|1,0,0]=3 483 B8R1.5 Nc1cccnc1Cl PI-24529 [0,2,0,0,0,0|1,0,0]=3 484 B8R1.5 Nc1cccnc1N PI-10159 [0,2,0,0,0,0|1,0,0]=3 485 B8R1.5 Nc1ccncc1Br PI-16045 [0,2,0,0,0,0|1,0,0]=3 486 B8R1.5 Nc1cnccc1I PI-36511 [0,2,0,0,0,0|1,0,0]=3 487 B8R1.5 Nc1cnccc1N PI-16569 [0,2,0,0,0,0|1,0,0]=3 488 B8R1.5 Nc1cncnc1Cl PI-38851 [0,2,0,0,0,0|2,0,0]=4 489 B8R1.5 Nc1nccnc1Br PI-38204 [0,2,0,0,0,0|2,0,0]=4 490 B8R1.5 Nc1nccnc1Cl PI-38205 [0,2,0,0,0,0|2,0,0]=4 491 B8R1.5 Nc1ncncc1N PI-21323 [0,2,0,0,0,0|2,0,0]=4 492 B8R1.5 O=c1[nH]cccc1C PI-16687 [0,2,0,0,0,0|1,0,0]=3 493 B8R1.5 O=c1ccccn1C PI-10985 [0,2,0,0,0,0|1,0,0]=3 494 B8R1.5 OC1=C(I)C=CC=C1 PI-10953 [0,2,0,0,0,0|0,0,0]=2 495 B8R1.5 OC1=NC=CC=C1Br PI-37057 [0,2,0,0,0,0|1,0,0]=3 496 B8R1.5 Oc1ccccc1Br PI-10952 [0,2,0,0,0,0|0,0,0]=2 497 B8R1.5 Oc1ccccc1O PI-31351 [0,2,0,0,0,0|0,0,0]=2 498 B8R1.5 Oc1ccccc1S PI-20878 [0,2,0,0,0,0|0,0,0]=2 499 B8R1.5 Oc1cccnc1Br PI-16727 [0,2,0,0,0,0|1,0,0]=3 500 B8R1.5 Oc1cccnc1C PI-13315 [0,2,0,0,0,0|1,0,0]=3 501 B8R1.5 Oc1cccnc1N PI-16260 [0,2,0,0,0,0|1,0,0]=3 502 B8R1.5 Oc1ccncc1Br PI-38971 [0,2,0,0,0,0|1,0,0]=3 503 B8R1.5 Oc1ncccc1O PI-11386 [0,2,0,0,0,0|1,0,0]=3 504 B8R1.5 [S-]c1cccc[n+]1[O-] PI-15322 [0,2,0,0,0,0|1,0,0]=3 505 B8R1.5 [S-]c1cccc[n+]1[O-] PI-15323 [0,2,0,0,0,0|1,0,0]=3 506 B8R2.34 C12C=CC(C1)C=C2 PI-39675 [0,1,0,1,0,0|0,0,2]=4 507 B8R1.49 C/1=C/CC\C=C/CC1 PI-42262 [0,0,0,0,0,2|0,0,2]=4 508 B8R1.49 C1CC=CCCC=C1 PI-35837 [0,0,0,0,0,2|0,0,2]=4 509 B8R1.49 C1CC=CCCC=C1 PI-39260 [0,0,0,0,0,2|0,0,2]=4 510 B8R1.49 C1CC=CCCC=C1 PI-42592 [0,0,0,0,0,2|0,0,2]=4 511 B8R1.49 C1CC=CCCC=C1 PI-42620 [0,0,0,0,0,2|0,0,2]=4