0 B5R1.1 C1=CSC=C1 PI-45119 [0,0,0,0,0,0|1,0,0]=1 1 B5R1.1 C1=CSC=N1 PI-45012 [0,0,0,0,0,0|1,0,1]=2 2 B5R1.1 C1=CSN=C1 PI-41498 [0,0,0,0,0,0|1,0,1]=2 3 B5R1.1 C1C=CCN1 PI-36315 [0,0,0,0,0,0|0,0,2]=2 4 B5R1.1 C1C=CCN1 PI-40188 [0,0,0,0,0,0|0,0,2]=2 5 B5R1.1 C1COC=C1 PI-45414 [0,0,0,0,0,0|1,0,2]=3 6 B5R1.1 N1N=CN=C1 PI-37189 [0,0,0,0,0,0|2,0,0]=2 7 B5R1.1 O1C=NC=C1 PI-37188 [0,0,0,0,0,0|1,0,1]=2 8 B5R1.1 O1N=CC=C1 PI-37186 [0,0,0,0,0,0|1,0,1]=2 9 B5R1.1 c1ccn[nH]1 PI-12159 [0,0,0,0,0,0|1,0,0]=1 10 B5R1.1 c1cnn[nH]1 PI-31137 [0,0,0,0,0,0|2,0,0]=2 11 B6R1.2 Brc1c[nH]cn1 PI-31938 [0,1,0,0,0,0|1,0,0]=2 12 B6R1.2 Brc1ccco1 PI-14449 [0,1,0,0,0,0|1,0,0]=2 13 B6R1.2 Brc1cccs1 PI-11144 [0,1,0,0,0,0|1,0,0]=2 14 B6R1.2 Brc1cscc1 PI-10760 [0,1,0,0,0,0|1,0,0]=2 15 B6R1.2 Brc1cscn1 PI-38310 [0,1,0,0,0,0|1,0,1]=3 16 B6R1.2 Brc1ncc[nH]1 PI-39207 [0,1,0,0,0,0|1,0,0]=2 17 B6R1.2 C1(=NNN=N1)N PI-33520 [0,1,0,0,0,0|3,0,0]=4 18 B6R1.2 C1=C(C=NN1)Br PI-31345 [0,1,0,0,0,0|1,0,0]=2 19 B6R1.2 C1=C(C=NN1)Cl PI-33036 [0,1,0,0,0,0|1,0,0]=2 20 B6R1.2 C1=C(C=NN1)I PI-21303 [0,1,0,0,0,0|1,0,0]=2 21 B6R1.2 C1=C(C=NO1)Br PI-39735 [0,1,0,0,0,0|1,0,1]=3 22 B6R1.2 C1=C(NN=C1)N PI-10514 [0,1,0,0,0,0|1,0,0]=2 23 B6R1.2 C1=C(ON=C1)N PI-34865 [0,1,0,0,0,0|1,0,1]=3 24 B6R1.2 C1=C(SC=N1)Br PI-45402 [0,1,0,0,0,0|1,0,1]=3 25 B6R1.2 C1=CN=C(N1)N PI-11170 [0,1,0,0,0,0|1,0,0]=2 26 B6R1.2 C1=CN=C(N1)N PI-45241 [0,1,0,0,0,0|1,0,0]=2 27 B6R1.2 C1=CN=C(N1)N PI-45281 [0,1,0,0,0,0|1,0,0]=2 28 B6R1.2 C1=CNC=C1F PI-49258 [0,1,0,0,0,0|0,0,0]=1 29 B6R1.2 C1=CSC(=N1)Br PI-11814 [0,1,0,0,0,0|1,0,1]=3 30 B6R1.2 C1=CSC=C1F PI-49323 [0,1,0,0,0,0|1,0,0]=2 31 B6R1.2 C1=NC(=S)NN1 PI-11934 [0,1,0,0,0,0|2,0,0]=3 32 B6R1.2 C1=NN(C=N1)N PI-11685 [0,1,0,0,0,0|2,0,0]=3 33 B6R1.2 C1=NN=CN1N PI-11495 [0,1,0,0,0,0|2,0,0]=3 34 B6R1.2 C1=NNC(=N1)Cl PI-13235 [0,1,0,0,0,0|2,0,0]=3 35 B6R1.2 C1=NNC(=N1)N PI-45748 [0,1,0,0,0,0|2,0,0]=3 36 B6R1.2 C1=NNC(=S)S1 PI-11025 [0,1,0,0,0,0|2,0,0]=3 37 B6R1.2 C1=NNN=C1[S-] PI-18721 [0,1,0,0,0,0|2,0,0]=3 38 B6R1.2 C1=NSC(=N1)N PI-31532 [0,1,0,0,0,0|2,0,1]=4 39 B6R1.2 C1C=CCC1N PI-35476 [0,1,0,0,0,0|1,0,2]=4 40 B6R1.2 C1COC(=O)N1 PI-10783 [0,1,0,0,0,0|1,0,2]=4 41 B6R1.2 C1CSC(=S)N1 PI-33314 [0,1,0,0,0,0|1,0,2]=4 42 B6R1.2 C1OC(=O)C=C1 PI-37270 [0,1,0,0,0,0|1,0,1]=3 43 B6R1.2 CC1=CC=CS1 PI-11146 [0,1,0,0,0,0|1,0,0]=2 44 B6R1.2 CC1=CN=CN1 PI-44758 [0,1,0,0,0,0|1,0,0]=2 45 B6R1.2 CC1=COC=C1 PI-41011 [0,1,0,0,0,0|1,0,0]=2 46 B6R1.2 CC1=NNN=N1 PI-31189 [0,1,0,0,0,0|3,0,0]=4 47 B6R1.2 CN1C=NN=C1 PI-36997 [0,1,0,0,0,0|2,0,0]=3 48 B6R1.2 Cc1c[nH]nc1 PI-34810 [0,1,0,0,0,0|1,0,0]=2 49 B6R1.2 Cc1cc[nH]n1 PI-31344 [0,1,0,0,0,0|1,0,0]=2 50 B6R1.2 Cc1cncs1 PI-33497 [0,1,0,0,0,0|1,0,1]=3 51 B6R1.2 Cc1nc[nH]n1 PI-40309 [0,1,0,0,0,0|2,0,0]=3 52 B6R1.2 Cc1nccs1 PI-11132 [0,1,0,0,0,0|1,0,1]=3 53 B6R1.2 ClC1=CSC=C1 PI-11160 [0,1,0,0,0,0|1,0,0]=2 54 B6R1.2 ClC1=NC=NS1 PI-31535 [0,1,0,0,0,0|2,0,1]=4 55 B6R1.2 Clc1ncc[nH]1 PI-20136 [0,1,0,0,0,0|1,0,0]=2 56 B6R1.2 Clc1nccs1 PI-39297 [0,1,0,0,0,0|1,0,1]=3 57 B6R1.2 Cn1cccn1 PI-37584 [0,1,0,0,0,0|1,0,0]=2 58 B6R1.2 Cn1cncc1 PI-31809 [0,1,0,0,0,0|1,0,0]=2 59 B6R1.2 Cn1cncn1 PI-37321 [0,1,0,0,0,0|2,0,0]=3 60 B6R1.2 Ic1c[nH]cn1 PI-31936 [0,1,0,0,0,0|1,0,0]=2 61 B6R1.2 Ic1cc[nH]n1 PI-39060 [0,1,0,0,0,0|1,0,0]=2 62 B6R1.2 Ic1cccs1 PI-11145 [0,1,0,0,0,0|1,0,0]=2 63 B6R1.2 NC1=CN=CS1 PI-33967 [0,1,0,0,0,0|1,0,1]=3 64 B6R1.2 NC1=NC=CO1 PI-40002 [0,1,0,0,0,0|1,0,1]=3 65 B6R1.2 NC1=NOC=C1 PI-13009 [0,1,0,0,0,0|1,0,1]=3 66 B6R1.2 Nc1cnns1 PI-12021 [0,1,0,0,0,0|2,0,1]=4 67 B6R1.2 Nc1nncs1 PI-16257 [0,1,0,0,0,0|2,0,1]=4 68 B6R1.2 O=C1CC=CC1 PI-38266 [0,1,0,0,0,0|1,0,1]=3 69 B6R1.2 O=C1NCNC1 PI-35001 [0,1,0,0,0,0|1,0,2]=4 70 B6R1.2 O=c1occo1 PI-15331 [0,1,0,0,0,0|2,0,0]=3 71 B6R1.2 OC1CC=CC1 PI-38265 [0,1,0,0,0,0|1,0,2]=4 72 B6R1.2 Sc1cccs1 PI-27908 [0,1,0,0,0,0|1,0,0]=2 73 B6R1.2 Sc1nccs1 PI-11130 [0,1,0,0,0,0|1,0,1]=3 74 B4R0.2 C(=O)[N-]C=O PI-42986 [0,0,1,0,0,0|2,0,1]=4 75 B4R0.2 C=CCCBr PI-20589 [0,0,1,0,0,0|1,0,2]=4 76 B4R0.2 C=CCON PI-47075 [0,0,1,0,0,0|1,0,1]=3 77 B4R0.2 CC=CCO PI-41583 [0,0,1,0,0,0|1,0,2]=4 78 B4R0.2 CCOC=C PI-12733 [0,0,1,0,0,0|1,0,2]=4 79 B4R0.2 CNCC=C PI-41121 [0,0,1,0,0,0|0,0,2]=3 80 B4R1.1 C1CNC1 PI-35164 [0,0,0,0,1,0|0,0,3]=4 81 B4R1.1 C1CNC1 PI-39009 [0,0,0,0,1,0|0,0,3]=4 82 B6R1.1 C1=CN=CC=N1 PI-14237 [0,0,0,0,0,1|0,0,1]=2 83 B6R1.1 C1COCC=C1 PI-40555 [0,0,0,0,0,1|1,0,2]=4 84 B6R1.1 [c-]1ncccn1 PI-40989 [0,0,0,0,0,1|0,0,2]=3 85 B6R1.1 c1[c-]cccc1 PI-15765 [0,0,0,0,0,1|1,0,0]=2 86 B6R1.1 c1[c-]cccc1 PI-24613 [0,0,0,0,0,1|1,0,0]=2 87 B6R1.1 c1cccn[c-]1 PI-24182 [0,0,0,0,0,1|0,0,1]=2 88 B6R1.1 c1cccnc1 PI-14207 [0,0,0,0,0,1|0,0,1]=2 89 B6R1.1 c1ccncn1 PI-11036 [0,0,0,0,0,1|0,0,1]=2 90 B3R0.1 C(=CBr)Br PI-47053 [1,0,1,0,0,0|2,0,0]=4 91 B3R0.1 C(=CCl)F PI-20089 [1,0,1,0,0,0|2,0,0]=4 92 B3R0.1 NNC=O PI-38803 [1,0,1,0,0,0|2,0,0]=4 93 B5R0.1 CC=CC(=O)C PI-45740 [0,1,1,0,0,0|1,0,1]=4 94 B5R0.1 C\C=C\C(=O)N PI-50568 [0,1,1,0,0,0|0,0,1]=3 95 B5R0.1 C\C=C\C(=O)O PI-48966 [0,1,1,0,0,0|1,0,1]=4 96 B5R0.2 C(=O)NNC=O PI-50265 [0,1,1,0,0,0|2,0,0]=4 97 B5R0.3 C=CC(C=C)O PI-44995 [0,1,1,0,0,0|1,0,0]=3 98 B5R1.2 C1C(=O)CN1 PI-48919 [0,1,0,0,1,0|0,0,2]=4 99 B7R1.3 Brc1cccnc1 PI-11914 [0,1,0,0,0,1|0,0,1]=3 100 B7R1.3 Brc1cccnn1 PI-37395 [0,1,0,0,0,1|0,0,1]=3 101 B7R1.3 Brc1ccncc1 PI-10390 [0,1,0,0,0,1|0,0,1]=3 102 B7R1.3 Brc1ccnnc1 PI-34084 [0,1,0,0,0,1|0,0,1]=3 103 B7R1.3 C1=C(C=NC=N1)Br PI-16276 [0,1,0,0,0,1|0,0,1]=3 104 B7R1.3 C1=C(C=NC=N1)Cl PI-21317 [0,1,0,0,0,1|0,0,1]=3 105 B7R1.3 C1=C(C=NC=N1)F PI-28750 [0,1,0,0,0,1|0,0,1]=3 106 B7R1.3 C1=CC(=CN=C1)I PI-11390 [0,1,0,0,0,1|0,0,1]=3 107 B7R1.3 C1=CC(=CN=C1)O PI-44714 [0,1,0,0,0,1|0,0,1]=3 108 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [0,1,0,0,0,1|0,0,1]=3 109 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [0,1,0,0,0,1|0,0,0]=2 110 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [0,1,0,0,0,1|0,0,0]=2 111 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [0,1,0,0,0,1|1,0,0]=3 112 B7R1.3 C1=CC(=S)NC=C1 PI-11854 [0,1,0,0,0,1|0,0,0]=2 113 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [0,1,0,0,0,1|1,0,0]=3 114 B7R1.3 C1=CC=NC(=C1)I PI-32173 [0,1,0,0,0,1|0,0,1]=3 115 B7R1.3 C1=CN=C(C=N1)Br PI-47341 [0,1,0,0,0,1|0,0,1]=3 116 B7R1.3 C1=CN=C(C=N1)Cl PI-11831 [0,1,0,0,0,1|0,0,1]=3 117 B7R1.3 C1=CN=C(N=C1)N PI-33106 [0,1,0,0,0,1|0,0,1]=3 118 B7R1.3 C1=CN=CC(=S)N1 PI-45037 [0,1,0,0,0,1|0,0,0]=2 119 B7R1.3 C1=CN=CC=C1Cl PI-16703 [0,1,0,0,0,1|0,0,1]=3 120 B7R1.3 C1=CN=CC=C1F PI-10293 [0,1,0,0,0,1|0,0,1]=3 121 B7R1.3 C1=CN=CC=C1F PI-28763 [0,1,0,0,0,1|0,0,1]=3 122 B7R1.3 C1=CN=CC=C1I PI-16167 [0,1,0,0,0,1|0,0,1]=3 123 B7R1.3 C1=CN=CN=C1Cl PI-47317 [0,1,0,0,0,1|0,0,1]=3 124 B7R1.3 C1=CN=CN=C1N PI-34789 [0,1,0,0,0,1|0,0,1]=3 125 B7R1.3 C1=CN=CNC1=O PI-21341 [0,1,0,0,0,1|0,0,0]=2 126 B7R1.3 C1=CN=CNC1=O PI-45002 [0,1,0,0,0,1|0,0,0]=2 127 B7R1.3 C1=CNC(=O)N=C1 PI-32626 [0,1,0,0,0,1|0,0,0]=2 128 B7R1.3 C1=CNC(=O)N=C1 PI-33107 [0,1,0,0,0,1|0,0,0]=2 129 B7R1.3 C1=CNC(=S)N=C1 PI-15316 [0,1,0,0,0,1|0,0,0]=2 130 B7R1.3 C1=CNC=CC1=S PI-33123 [0,1,0,0,0,1|0,0,0]=2 131 B7R1.3 C1=COC=CC1=O PI-43972 [0,1,0,0,0,1|1,0,0]=3 132 B7R1.3 C1=C[N+](=CC=N1)[O-] PI-50198 [0,1,0,0,0,1|0,0,1]=3 133 B7R1.3 C1COC(=O)C=C1 PI-47083 [0,1,0,0,0,1|1,0,1]=4 134 B7R1.3 CC1=CC=CC=N1 PI-38534 [0,1,0,0,0,1|0,0,1]=3 135 B7R1.3 CC1=CN=CN=C1 PI-21343 [0,1,0,0,0,1|0,0,1]=3 136 B7R1.3 CC1=CN=NC=C1 PI-31701 [0,1,0,0,0,1|0,0,1]=3 137 B7R1.3 CC1=NC=CN=C1 PI-48495 [0,1,0,0,0,1|0,0,1]=3 138 B7R1.3 C[N+]1=CC=CC=C1 PI-13346 [0,1,0,0,0,1|0,0,1]=3 139 B7R1.3 C[n+]1ccccc1 PI-17168 [0,1,0,0,0,1|0,0,1]=3 140 B7R1.3 Cc1ncccn1 PI-35192 [0,1,0,0,0,1|0,0,1]=3 141 B7R1.3 ClC1=NN=CC=C1 PI-37010 [0,1,0,0,0,1|0,0,1]=3 142 B7R1.3 Clc1cccnc1 PI-11921 [0,1,0,0,0,1|0,0,1]=3 143 B7R1.3 Clc1ccncn1 PI-38789 [0,1,0,0,0,1|0,0,1]=3 144 B7R1.3 Clc1ncccn1 PI-16275 [0,1,0,0,0,1|0,0,1]=3 145 B7R1.3 Fc1ccccn1 PI-11583 [0,1,0,0,0,1|0,0,1]=3 146 B7R1.3 Fc1cccnc1 PI-16759 [0,1,0,0,0,1|0,0,1]=3 147 B7R1.3 Ic1ccccc1 PI-37973 [0,1,0,0,0,1|1,0,0]=3 148 B7R1.3 Ic1cnccn1 PI-38885 [0,1,0,0,0,1|0,0,1]=3 149 B7R1.3 N[n+]1ccccc1 PI-10984 [0,1,0,0,0,1|0,0,1]=3 150 B7R1.3 Nc1cccnn1 PI-38601 [0,1,0,0,0,1|0,0,1]=3 151 B7R1.3 Nc1ccnnc1 PI-35933 [0,1,0,0,0,1|0,0,1]=3 152 B7R1.3 Nc1cnccn1 PI-29636 [0,1,0,0,0,1|0,0,1]=3 153 B7R1.3 Nc1cncnc1 PI-38883 [0,1,0,0,0,1|0,0,1]=3 154 B7R1.3 Nc1ncncn1 PI-14137 [0,1,0,0,0,1|1,0,1]=4 155 B7R1.3 O=C1C=CC=NN1 PI-40006 [0,1,0,0,0,1|0,0,0]=2 156 B7R1.3 O=C1C=CNC=C1 PI-33984 [0,1,0,0,0,1|0,0,0]=2 157 B7R1.3 Oc1cncnc1 PI-36495 [0,1,0,0,0,1|0,0,1]=3 158 B7R1.3 [S-]c1ccccc1 PI-17985 [0,1,0,0,0,1|1,0,0]=3 159 B7R1.1 BrCc1cscc1 PI-14311 [0,2,0,0,0,0|1,0,0]=3 160 B7R1.1 C#CC1=CC=CS1 PI-44556 [0,2,0,0,0,0|1,0,0]=3 161 B7R1.1 C#Cc1cscc1 PI-39299 [0,2,0,0,0,0|1,0,0]=3 162 B7R1.1 C1=C(C=NN1)C#N PI-40529 [0,2,0,0,0,0|1,0,0]=3 163 B7R1.1 C1=C(C=N[NH]1)C=O PI-39404 [0,2,0,0,0,0|1,0,0]=3 164 B7R1.1 C1=C(N=CS1)C=O PI-25454 [0,2,0,0,0,0|1,0,1]=4 165 B7R1.1 C1=C(N=CS1)CCl PI-11980 [0,2,0,0,0,0|1,0,1]=4 166 B7R1.1 C1=C(N=CS1)CCl PI-48844 [0,2,0,0,0,0|1,0,1]=4 167 B7R1.1 C1=C(NC=N1)C#N PI-40207 [0,2,0,0,0,0|1,0,0]=3 168 B7R1.1 C1=C(NC=N1)C=O PI-34783 [0,2,0,0,0,0|1,0,0]=3 169 B7R1.1 C1=C(NC=N1)CO PI-31940 [0,2,0,0,0,0|1,0,0]=3 170 B7R1.1 C1=C(SC=N1)CN PI-45069 [0,2,0,0,0,0|1,0,1]=4 171 B7R1.1 C1=C(SC=N1)CN PI-45398 [0,2,0,0,0,0|1,0,1]=4 172 B7R1.1 C1=C(SC=N1)CO PI-12202 [0,2,0,0,0,0|1,0,1]=4 173 B7R1.1 C1=CNC=C1C=O PI-34088 [0,2,0,0,0,0|0,0,0]=2 174 B7R1.1 C1=COC(=C1)CS PI-48474 [0,2,0,0,0,0|1,0,0]=3 175 B7R1.1 C1=CSC(=C1)C=O PI-44709 [0,2,0,0,0,0|1,0,0]=3 176 B7R1.1 C1=CSC(=C1)CCl PI-50490 [0,2,0,0,0,0|1,0,0]=3 177 B7R1.1 C1=CSC(=C1)CO PI-11151 [0,2,0,0,0,0|1,0,0]=3 178 B7R1.1 C1=CSC(=N1)C#N PI-40537 [0,2,0,0,0,0|1,0,1]=4 179 B7R1.1 C1=CSC(=N1)CN PI-45385 [0,2,0,0,0,0|1,0,1]=4 180 B7R1.1 C1=CSC(=N1)NN PI-44075 [0,2,0,0,0,0|1,0,1]=4 181 B7R1.1 C1=CSC=C1C#N PI-20214 [0,2,0,0,0,0|1,0,0]=3 182 B7R1.1 C1=CSC=C1CN PI-31789 [0,2,0,0,0,0|1,0,0]=3 183 B7R1.1 C1=NN(C=N1)CCl PI-32972 [0,2,0,0,0,0|2,0,0]=4 184 B7R1.1 C1=N[NH]C=C1CO PI-39407 [0,2,0,0,0,0|1,0,0]=3 185 B7R1.1 CCC1=CC=CS1 PI-10993 [0,2,0,0,0,0|1,0,0]=3 186 B7R1.1 CCC1=CSC=C1 PI-35073 [0,2,0,0,0,0|1,0,0]=3 187 B7R1.1 CCN1C=CC=C1 PI-12065 [0,2,0,0,0,0|0,0,0]=2 188 B7R1.1 CCc1ncc[nH]1 PI-31817 [0,2,0,0,0,0|1,0,0]=3 189 B7R1.1 CCn1cccn1 PI-35920 [0,2,0,0,0,0|1,0,0]=3 190 B7R1.1 CCn1cncn1 PI-37585 [0,2,0,0,0,0|2,0,0]=4 191 B7R1.1 COC1=NC=CS1 PI-11131 [0,2,0,0,0,0|1,0,1]=4 192 B7R1.1 COc1cccs1 PI-33573 [0,2,0,0,0,0|1,0,0]=3 193 B7R1.1 COc1cscc1 PI-27269 [0,2,0,0,0,0|1,0,0]=3 194 B7R1.1 CSC1=CSC=C1 PI-29322 [0,2,0,0,0,0|1,0,0]=3 195 B7R1.1 N#Cc1cccs1 PI-10787 [0,2,0,0,0,0|1,0,0]=3 196 B7R1.1 NCC1=CN=NN1 PI-36481 [0,2,0,0,0,0|2,0,0]=4 197 B7R1.1 NCc1cccs1 PI-11152 [0,2,0,0,0,0|1,0,0]=3 198 B7R1.1 NNC1=NC=CS1 PI-41794 [0,2,0,0,0,0|1,0,1]=4 199 B7R1.1 O=CC1=NC=CO1 PI-39572 [0,2,0,0,0,0|1,0,1]=4 200 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [0,2,0,0,0,0|1,0,0]=3 201 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [0,2,0,0,0,0|0,0,0]=2 202 B7R1.1 O=Cc1cnco1 PI-38922 [0,2,0,0,0,0|1,0,1]=4 203 B7R1.1 O=Cc1cncs1 PI-25019 [0,2,0,0,0,0|1,0,1]=4 204 B7R1.1 O=Cc1cscc1 PI-10763 [0,2,0,0,0,0|1,0,0]=3 205 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [0,2,0,0,0,0|1,0,0]=3 206 B7R1.1 O=Cc1nccs1 PI-11133 [0,2,0,0,0,0|1,0,1]=4 207 B7R1.1 OCC1=NC=CN1 PI-36879 [0,2,0,0,0,0|1,0,0]=3 208 B7R1.1 OCc1c[nH]cn1 PI-27482 [0,2,0,0,0,0|1,0,0]=3 209 B7R1.1 OCc1cnco1 PI-38536 [0,2,0,0,0,0|1,0,1]=4 210 B7R1.1 OCc1cscc1 PI-29874 [0,2,0,0,0,0|1,0,0]=3 211 B7R1.1 OCc1cscn1 PI-25015 [0,2,0,0,0,0|1,0,1]=4 212 B7R1.1 OCc1nccs1 PI-38807 [0,2,0,0,0,0|1,0,1]=4 213 B7R1.1 c1nc([nH]n1)C#N PI-28010 [0,2,0,0,0,0|2,0,0]=4 214 B7R1.2 BrC1=CC(Br)=NN1 PI-46828 [0,2,0,0,0,0|1,0,0]=3 215 B7R1.2 Brc1[nH]nc(Br)n1 PI-35003 [0,2,0,0,0,0|2,0,0]=4 216 B7R1.2 Brc1c[nH]c(n1)C PI-14475 [0,2,0,0,0,0|1,0,0]=3 217 B7R1.2 Brc1ccc(Br)o1 PI-17239 [0,2,0,0,0,0|1,0,0]=3 218 B7R1.2 C1(=NC(=S)NN1)N PI-24140 [0,2,0,0,0,0|2,0,0]=4 219 B7R1.2 C1(=NNC(=O)N1)N PI-44085 [0,2,0,0,0,0|2,0,0]=4 220 B7R1.2 C1(=NNC(=S)S1)N PI-32073 [0,2,0,0,0,0|2,0,0]=4 221 B7R1.2 C1=C(Br)SC(=C1)Br PI-11156 [0,2,0,0,0,0|1,0,0]=3 222 B7R1.2 C1=C(N=C(Br)S1)Br PI-12155 [0,2,0,0,0,0|1,0,1]=4 223 B7R1.2 C1=C(N=C(S1)Br)Cl PI-40882 [0,2,0,0,0,0|1,0,1]=4 224 B7R1.2 C1=C(N=C(S1)Br)N PI-41000 [0,2,0,0,0,0|1,0,1]=4 225 B7R1.2 C1=C(N=C(S1)N)O PI-45401 [0,2,0,0,0,0|1,0,1]=4 226 B7R1.2 C1=C(NNC1=O)N PI-30770 [0,2,0,0,0,0|1,0,0]=3 227 B7R1.2 C1=C(SC(=C1)Br)Cl PI-20666 [0,2,0,0,0,0|1,0,0]=3 228 B7R1.2 C1=C(SC(=C1)Br)N PI-45449 [0,2,0,0,0,0|1,0,0]=3 229 B7R1.2 C1=C(SC(=C1)Cl)Cl PI-11157 [0,2,0,0,0,0|1,0,0]=3 230 B7R1.2 C1=C(SC(=C1)I)I PI-21280 [0,2,0,0,0,0|1,0,0]=3 231 B7R1.2 C1=C(SC(=N1)Cl)Br PI-45403 [0,2,0,0,0,0|1,0,1]=4 232 B7R1.2 C1=C(SC(=N1)N)Br PI-27787 [0,2,0,0,0,0|1,0,1]=4 233 B7R1.2 C1=C(SC(=N1)N)Br PI-33872 [0,2,0,0,0,0|1,0,1]=4 234 B7R1.2 C1=C(SC=C1Br)Br PI-26554 [0,2,0,0,0,0|1,0,0]=3 235 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [0,2,0,0,0,0|1,0,1]=4 236 B7R1.2 C1C(=O)NC(=S)N1 PI-25614 [0,2,0,0,0,0|1,0,1]=4 237 B7R1.2 C1C(=O)NC(=S)S1 PI-10884 [0,2,0,0,0,0|1,0,1]=4 238 B7R1.2 C1C(C=CC1=O)O PI-48068 [0,2,0,0,0,0|1,0,1]=4 239 B7R1.2 CC1=CC(=CS1)Br PI-22178 [0,2,0,0,0,0|1,0,0]=3 240 B7R1.2 CC1=CC(=NO1)C PI-11253 [0,2,0,0,0,0|1,0,1]=4 241 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [0,2,0,0,0,0|1,0,1]=4 242 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,2,0,0,0,0|1,0,0]=3 243 B7R1.2 CC1=CC=C(S1)Br PI-11164 [0,2,0,0,0,0|1,0,0]=3 244 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,2,0,0,0,0|1,0,0]=3 245 B7R1.2 CC1=CN=C(S1)Br PI-45050 [0,2,0,0,0,0|1,0,1]=4 246 B7R1.2 CC1=CN=C(S1)C PI-11134 [0,2,0,0,0,0|1,0,1]=4 247 B7R1.2 CC1=CN=C(S1)Cl PI-11122 [0,2,0,0,0,0|1,0,1]=4 248 B7R1.2 CC1=CNC(=O)N1 PI-31820 [0,2,0,0,0,0|1,0,0]=3 249 B7R1.2 CC1=CSC(=N1)Br PI-40542 [0,2,0,0,0,0|1,0,1]=4 250 B7R1.2 CC1=CSC(=N1)C PI-11115 [0,2,0,0,0,0|1,0,1]=4 251 B7R1.2 CC1=CSC(=S)N1 PI-30630 [0,2,0,0,0,0|1,0,0]=3 252 B7R1.2 CC1=CSC(Cl)=N1 PI-40543 [0,2,0,0,0,0|1,0,1]=4 253 B7R1.2 CC1=NC(=S)NN1 PI-49044 [0,2,0,0,0,0|2,0,0]=4 254 B7R1.2 CC1=NC=C(N1)I PI-45234 [0,2,0,0,0,0|1,0,0]=3 255 B7R1.2 CC1=NC=C(S1)Br PI-44984 [0,2,0,0,0,0|1,0,1]=4 256 B7R1.2 CC1=NN=C(C)N1 PI-41438 [0,2,0,0,0,0|2,0,0]=4 257 B7R1.2 CC1=NNC(=S)S1 PI-11129 [0,2,0,0,0,0|2,0,0]=4 258 B7R1.2 CN1C=C(C=N1)Br PI-34811 [0,2,0,0,0,0|1,0,0]=3 259 B7R1.2 CN1C=C(C=N1)Cl PI-34753 [0,2,0,0,0,0|1,0,0]=3 260 B7R1.2 CN1C=C(C=N1)I PI-31346 [0,2,0,0,0,0|1,0,0]=3 261 B7R1.2 Cc1[nH][nH]c(=O)c1 PI-10806 [0,2,0,0,0,0|1,0,0]=3 262 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [0,2,0,0,0,0|0,0,0]=2 263 B7R1.2 Cc1[nH]cc(n1)C PI-31821 [0,2,0,0,0,0|1,0,0]=3 264 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [0,2,0,0,0,0|1,0,0]=3 265 B7R1.2 Cc1ccc(s1)Cl PI-29205 [0,2,0,0,0,0|1,0,0]=3 266 B7R1.2 Cc1ccn(n1)C PI-37587 [0,2,0,0,0,0|1,0,0]=3 267 B7R1.2 Cc1cnc(s1)N PI-31294 [0,2,0,0,0,0|1,0,1]=4 268 B7R1.2 Cc1csc(n1)N PI-31078 [0,2,0,0,0,0|1,0,1]=4 269 B7R1.2 Cc1noc(c1)N PI-30153 [0,2,0,0,0,0|1,0,1]=4 270 B7R1.2 Cc1nsc(N)c1 PI-25640 [0,2,0,0,0,0|1,0,1]=4 271 B7R1.2 Cc1scc(c1)C PI-29816 [0,2,0,0,0,0|1,0,0]=3 272 B7R1.2 ClC1=CN=C(N)S1 PI-46774 [0,2,0,0,0,0|1,0,1]=4 273 B7R1.2 Cn1cc(nc1)I PI-25810 [0,2,0,0,0,0|1,0,0]=3 274 B7R1.2 Cn1cc[n+](c1)C PI-38784 [0,2,0,0,0,0|1,0,0]=3 275 B7R1.2 Cn1ccc(I)n1 PI-37412 [0,2,0,0,0,0|1,0,0]=3 276 B7R1.2 Cn1ccc(n1)Br PI-38258 [0,2,0,0,0,0|1,0,0]=3 277 B7R1.2 Cn1ccc(n1)N PI-38170 [0,2,0,0,0,0|1,0,0]=3 278 B7R1.2 Cn1nnc(c1)Br PI-38305 [0,2,0,0,0,0|2,0,0]=4 279 B7R1.2 N=c1ssc(=S)[nH]1 PI-14086 [0,2,0,0,0,0|2,0,0]=4 280 B7R1.2 NC1=NC=C(C)N1 PI-40524 [0,2,0,0,0,0|1,0,0]=3 281 B7R1.2 Nc1noc(c1)C PI-33190 [0,2,0,0,0,0|1,0,1]=4 282 B7R1.2 O=C1C=CC(=O)N1 PI-29681 [0,2,0,0,0,0|0,0,0]=2 283 B7R1.2 O=C1NCC(=O)O1 PI-37627 [0,2,0,0,0,0|1,0,1]=4 284 B7R1.2 O=C1OC=C(Br)O1 PI-38607 [0,2,0,0,0,0|2,0,0]=4 285 B7R1.2 O=C1OC=C(Cl)O1 PI-38606 [0,2,0,0,0,0|2,0,0]=4 286 B7R1.4 Brc1[nH]nnc1Br PI-36567 [0,2,0,0,0,0|2,0,0]=4 287 B7R1.4 Brc1c[nH]nc1N PI-30194 [0,2,0,0,0,0|1,0,0]=3 288 B7R1.4 Brc1cocc1Br PI-19445 [0,2,0,0,0,0|1,0,0]=3 289 B7R1.4 Brc1cscc1Br PI-10758 [0,2,0,0,0,0|1,0,0]=3 290 B7R1.4 Brc1cscc1C PI-39112 [0,2,0,0,0,0|1,0,0]=3 291 B7R1.4 Brc1sccc1Br PI-11154 [0,2,0,0,0,0|1,0,0]=3 292 B7R1.4 C1=C(C(=CN1)F)F PI-49257 [0,2,0,0,0,0|0,0,0]=2 293 B7R1.4 C1=C(C(=CS1)F)F PI-49324 [0,2,0,0,0,0|1,0,0]=3 294 B7R1.4 C1=C(C(=CS1)N)N PI-45454 [0,2,0,0,0,0|1,0,0]=3 295 B7R1.4 C1=COC(=C1Br)Br PI-17204 [0,2,0,0,0,0|1,0,0]=3 296 B7R1.4 C1=CSC(=C1Br)Cl PI-11159 [0,2,0,0,0,0|1,0,0]=3 297 B7R1.4 C1=NC(=C(N1)Cl)Cl PI-46980 [0,2,0,0,0,0|1,0,0]=3 298 B7R1.4 CC1=C(Br)NC=N1 PI-39631 [0,2,0,0,0,0|1,0,0]=3 299 B7R1.4 CC1=C(OC=N1)C PI-35004 [0,2,0,0,0,0|1,0,1]=4 300 B7R1.4 CC1=C(SC=C1)Cl PI-10992 [0,2,0,0,0,0|1,0,0]=3 301 B7R1.4 CC1=C(SC=N1)Br PI-50077 [0,2,0,0,0,0|1,0,1]=4 302 B7R1.4 CC1=C(SC=N1)C PI-11140 [0,2,0,0,0,0|1,0,1]=4 303 B7R1.4 CC1=CCOC1=O PI-46986 [0,2,0,0,0,0|1,0,1]=4 304 B7R1.4 CC1=CNN=C1C PI-41141 [0,2,0,0,0,0|1,0,0]=3 305 B7R1.4 CC1=CSC=C1C PI-35053 [0,2,0,0,0,0|1,0,0]=3 306 B7R1.4 CC1=NC=CN1C PI-31811 [0,2,0,0,0,0|1,0,0]=3 307 B7R1.4 CC1=NNC=C1Br PI-13601 [0,2,0,0,0,0|1,0,0]=3 308 B7R1.4 CC1=NNC=C1I PI-33035 [0,2,0,0,0,0|1,0,0]=3 309 B7R1.4 CN1C=CN=C1Cl PI-20160 [0,2,0,0,0,0|1,0,0]=3 310 B7R1.4 CN1C=CNC1=S PI-18739 [0,2,0,0,0,0|1,0,0]=3 311 B7R1.4 CN1C=NC=C1Cl PI-11701 [0,2,0,0,0,0|1,0,0]=3 312 B7R1.4 CN1C=NC=C1Cl PI-12996 [0,2,0,0,0,0|1,0,0]=3 313 B7R1.4 CN1C=NC=C1I PI-25811 [0,2,0,0,0,0|1,0,0]=3 314 B7R1.4 Cc1ccsc1Br PI-10990 [0,2,0,0,0,0|1,0,0]=3 315 B7R1.4 Clc1sccc1Cl PI-26200 [0,2,0,0,0,0|1,0,0]=3 316 B7R1.4 Cn1ccnc1Br PI-14474 [0,2,0,0,0,0|1,0,0]=3 317 B7R1.4 Cn1nccc1C PI-37575 [0,2,0,0,0,0|1,0,0]=3 318 B7R1.4 Cn1nccc1N PI-28081 [0,2,0,0,0,0|1,0,0]=3 319 B7R1.4 Cn1nccc1O PI-37212 [0,2,0,0,0,0|1,0,0]=3 320 B7R1.4 Cn1sccc1=O PI-11861 [0,2,0,0,0,0|1,0,0]=3 321 B7R1.4 Ic1[nH]cnc1I PI-40527 [0,2,0,0,0,0|1,0,0]=3 322 B7R1.4 Oc1cscc1O PI-33661 [0,2,0,0,0,0|1,0,0]=3 323 B7R1.4 SC1=C(C)OC=C1 PI-14227 [0,2,0,0,0,0|1,0,0]=3 324 B7R1.4 SC1=NN=CN1C PI-18392 [0,2,0,0,0,0|2,0,0]=4 325 B7R1.24 C1=CC=C[CH+]C=C1 PI-30408 [0,0,0,0,0,2|1,0,0]=3