0 B8R1.4 BrC1=NC=CC(N)=N1 PI-46732 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.4 Brc1cc[nH]c(=O)c1 PI-38916 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.4 Brc1cccc(I)c1 PI-21524 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.4 Brc1cccc(I)n1 PI-36513 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.4 Brc1cccc(c1)Br PI-11676 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.4 Brc1cccc(n1)Br PI-31381 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.4 Brc1ccnc(c1)C PI-32240 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.4 Brc1ccnc(c1)Cl PI-31296 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.4 Brc1ccnc(c1)N PI-35022 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.4 Brc1cncc(Br)c1 PI-10080 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.4 C1=C(C=NC=C1Br)Cl PI-34454 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.4 C1=C(C=NC=C1Br)F PI-10088 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.4 C1=C(C=NC=C1Br)N PI-10515 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.4 C1=C(C=NC=C1Cl)Cl PI-32420 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.4 C1=C(C=NC=C1Cl)F PI-34439 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.4 C1=C(C=NC=C1Cl)O PI-40461 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.4 C1=C(N=C(C=N1)Cl)N PI-30484 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.4 C1=C(NC(=S)N=C1)N PI-21307 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.4 C1=CC(=CC(=C1)Br)F PI-12279 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.4 C1=CC(=CC(=C1)Br)S PI-15584 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.4 C1=CC(=CC(=C1)F)O PI-16947 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.4 C1=CC(=CC(=C1)I)F PI-12350 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.4 C1=CC(=CC(=C1)I)N PI-41422 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.4 C1=CC(=C[N+](=C1)[O-])Br PI-42571 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.4 C1=CC(=C[N+](=C1)[O-])Cl PI-42572 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.4 C1=CC(=C[N+](=C1)[O-])O PI-13309 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.4 C1=CC(=NC(=C1)Br)F PI-33061 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.4 C1=CC(=NC(=C1)Br)N PI-14243 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.4 C1=CC(=NC(=C1)Cl)F PI-34440 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.4 C1=CC(=O)NC(=C1)N PI-28596 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.4 C1=CC(=O)NC(=C1)O PI-11767 [0,0,0,0,0,0|2,0,1]=3 31 B8R1.4 C1=CN=C(C=C1Br)F PI-24079 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.4 C1=CN=C(C=C1F)F PI-40869 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.4 C1=CN=C(C=C1I)Cl PI-11387 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.4 C1=CN=C(N=C1Br)Br PI-50057 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.4 C1=CN=C(N=C1Cl)Br PI-39637 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.4 C1=CN=C(N=C1N)Cl PI-10283 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.4 C1=CN=C(N=C1N)F PI-45161 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.4 C1=CN=C(N=C1N)N PI-11759 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.4 C1=CN=C(NC1=O)N PI-12796 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.4 C1=CNC(=CC1=O)Br PI-35008 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.4 C1=CNC(=CC1=O)Cl PI-11015 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.4 C1=CNC(=O)C=C1N PI-34824 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.4 C1=CNC(=O)C=C1O PI-10171 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.4 C1=CNC(=S)NC1=O PI-48541 [0,0,0,0,0,0|3,0,1]=4 45 B8R1.4 C1=NC(=NC(=N1)N)N PI-47005 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.4 CC1=CC(=CC=C1)I PI-10981 [0,0,0,0,0,0|2,0,0]=2 47 B8R1.4 CC1=CC(=CN=C1)Br PI-27499 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.4 CC1=CC(=CN=C1)F PI-16772 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.4 CC1=CC(=NC=C1)Br PI-10385 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.4 CC1=CC(=NC=C1)Cl PI-16626 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.4 CC1=CC(=NC=N1)Br PI-45128 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.4 CC1=CC(=O)NC=N1 PI-32627 [0,0,0,0,0,0|4,0,0]=4 53 B8R1.4 CC1=CC(=O)NN=C1 PI-34651 [0,0,0,0,0,0|4,0,0]=4 54 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [0,0,0,0,0,0|1,0,1]=2 55 B8R1.4 CC1=CN=CC(=N1)C PI-11052 [0,0,0,0,0,0|1,0,0]=1 56 B8R1.4 CC1=C[N+](=CC=C1)[O-] PI-33810 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.4 CC1=NC(=CC=C1)Br PI-23524 [0,0,0,0,0,0|1,0,0]=1 58 B8R1.4 CC1=NC(=NC=C1)Br PI-21314 [0,0,0,0,0,0|2,0,0]=2 59 B8R1.4 CC1=NC=CC(=C1)N PI-13314 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.4 Cc1cc[nH]c(=O)n1 PI-21340 [0,0,0,0,0,0|2,0,0]=2 61 B8R1.4 Cc1cccc(N)n1 PI-32836 [0,0,0,0,0,0|1,0,0]=1 62 B8R1.4 Cc1cccc(n1)Cl PI-28225 [0,0,0,0,0,0|1,0,0]=1 63 B8R1.4 Cc1cccc(n1)F PI-16770 [0,0,0,0,0,0|1,0,0]=1 64 B8R1.4 Cc1ccnc(Cl)n1 PI-32949 [0,0,0,0,0,0|2,0,0]=2 65 B8R1.4 Cc1ccnc(N)c1 PI-32462 [0,0,0,0,0,0|3,0,0]=3 66 B8R1.4 Cc1ccnc(c1)F PI-23598 [0,0,0,0,0,0|3,0,0]=3 67 B8R1.4 Cc1ccnc(n1)N PI-21305 [0,0,0,0,0,0|2,0,0]=2 68 B8R1.4 Cc1ccnc(n1)S PI-21344 [0,0,0,0,0,0|2,0,0]=2 69 B8R1.4 Cc1cncc(Br)n1 PI-32830 [0,0,0,0,0,0|2,0,0]=2 70 B8R1.4 Clc1cccc(c1)I PI-39251 [0,0,0,0,0,0|3,0,0]=3 71 B8R1.4 Clc1ccnc(Cl)c1 PI-16701 [0,0,0,0,0,0|4,0,0]=4 72 B8R1.4 Clc1ccnc(Cl)n1 PI-28484 [0,0,0,0,0,0|3,0,0]=3 73 B8R1.4 Clc1ccnc(c1)N PI-11783 [0,0,0,0,0,0|4,0,0]=4 74 B8R1.4 Clc1ccnc(n1)C PI-38934 [0,0,0,0,0,0|2,0,0]=2 75 B8R1.4 Clc1ccnc(n1)N PI-27559 [0,0,0,0,0,0|3,0,0]=3 76 B8R1.4 Clc1cncc(Cl)n1 PI-16282 [0,0,0,0,0,0|3,0,0]=3 77 B8R1.4 Clc1ncnc(Cl)n1 PI-34871 [0,0,0,0,0,0|4,0,0]=4 78 B8R1.4 FC1=CC(=CN=C1)O PI-40460 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.4 Fc1cccc(Cl)c1 PI-33064 [0,0,0,0,0,0|3,0,0]=3 80 B8R1.4 Fc1cccc(c1)F PI-11677 [0,0,0,0,0,0|3,0,0]=3 81 B8R1.4 Fc1cccc(c1)S PI-16910 [0,0,0,0,0,0|3,0,0]=3 82 B8R1.4 Fc1cccc(n1)F PI-11766 [0,0,0,0,0,0|2,0,0]=2 83 B8R1.4 Fc1ccnc(Cl)c1 PI-16761 [0,0,0,0,0,0|4,0,0]=4 84 B8R1.4 Fc1ccnc(c1)Br PI-34451 [0,0,0,0,0,0|4,0,0]=4 85 B8R1.4 Fc1cncc(c1)F PI-33060 [0,0,0,0,0,0|4,0,0]=4 86 B8R1.4 Ic1ccnc(Br)c1 PI-27035 [0,0,0,0,0,0|4,0,0]=4 87 B8R1.4 Ic1ccnc(N)c1 PI-36261 [0,0,0,0,0,0|4,0,0]=4 88 B8R1.4 Ic1ccnc(c1)F PI-34431 [0,0,0,0,0,0|4,0,0]=4 89 B8R1.4 NC1=CC(=CN=C1)F PI-40469 [0,0,0,0,0,0|4,0,0]=4 90 B8R1.4 NC1=CC(N)=NC=C1 PI-37257 [0,0,0,0,0,0|4,0,0]=4 91 B8R1.4 NC1=NC=CC(=C1)F PI-39567 [0,0,0,0,0,0|4,0,0]=4 92 B8R1.4 NC1=NC=CC(=N1)Br PI-40255 [0,0,0,0,0,0|3,0,0]=3 93 B8R1.4 Nc1cc[nH]c(=O)n1 PI-16002 [0,0,0,0,0,0|3,0,0]=3 94 B8R1.4 Nc1cccc(F)c1 PI-16946 [0,0,0,0,0,0|3,0,0]=3 95 B8R1.4 Nc1cccc(F)n1 PI-15934 [0,0,0,0,0,0|2,0,0]=2 96 B8R1.4 Nc1cccc(N)n1 PI-33126 [0,0,0,0,0,0|2,0,0]=2 97 B8R1.4 Nc1cccc(S)c1 PI-21351 [0,0,0,0,0,0|3,0,0]=3 98 B8R1.4 Nc1cccc(n1)Cl PI-27605 [0,0,0,0,0,0|2,0,0]=2 99 B8R1.4 Nc1ccnc(c1)Br PI-23436 [0,0,0,0,0,0|4,0,0]=4 100 B8R1.4 Nc1ccnc(c1)Cl PI-23438 [0,0,0,0,0,0|4,0,0]=4 101 B8R1.4 Nc1nc(=O)[nH]cn1 PI-18980 [0,0,0,0,0,0|4,0,0]=4 102 B8R1.4 O=C1C=CC=C(Cl)N1 PI-35283 [0,0,0,0,0,0|2,0,1]=3 103 B8R1.4 O=C1NC(C=CN1)=O PI-37339 [0,0,0,0,0,0|3,0,1]=4 104 B8R1.4 OC1=NC=CC(C)=C1 PI-28120 [0,0,0,0,0,0|3,0,0]=3 105 B8R1.4 Oc1cccc(c1)I PI-10955 [0,0,0,0,0,0|3,0,0]=3 106 B8R1.4 Oc1cccc(c1)S PI-21360 [0,0,0,0,0,0|3,0,0]=3 107 B8R1.4 Oc1ccnc(c1)N PI-34188 [0,0,0,0,0,0|4,0,0]=4 108 B8R1.4 Oc1ccnc(n1)Cl PI-38931 [0,0,0,0,0,0|3,0,0]=3 109 B8R1.4 Oc1cncc(c1)Br PI-27886 [0,0,0,0,0,0|4,0,0]=4 110 B8R1.4 Oc1cnnc(n1)S PI-12573 [0,0,0,0,0,0|4,0,0]=4 111 B8R1.4 S=c1cc[nH]c(=O)[nH]1 PI-12580 [0,0,0,0,0,0|3,0,1]=4 112 B8R1.4 Sc1cccc(Cl)c1 PI-11010 [0,0,0,0,0,0|3,0,0]=3 113 B8R1.4 [O-][n+]1cccc(F)c1 PI-33008 [0,0,0,0,0,0|4,0,0]=4 114 B7R1.3 Brc1cccnc1 PI-11914 [1,0,0,0,0,0|3,0,0]=4 115 B7R1.3 Brc1cccnn1 PI-37395 [1,0,0,0,0,0|2,0,0]=3 116 B7R1.3 Brc1ccncc1 PI-10390 [1,0,0,0,0,0|3,0,0]=4 117 B7R1.3 C1=CC(=CN=C1)I PI-11390 [1,0,0,0,0,0|3,0,0]=4 118 B7R1.3 C1=CC(=CN=C1)O PI-44714 [1,0,0,0,0,0|3,0,0]=4 119 B7R1.3 C1=CC(=CN=C1)[O-] PI-42109 [1,0,0,0,0,0|3,0,0]=4 120 B7R1.3 C1=CC(=O)NC=C1 PI-13304 [1,0,0,0,0,0|1,0,1]=3 121 B7R1.3 C1=CC(=O)NC=C1 PI-49120 [1,0,0,0,0,0|1,0,1]=3 122 B7R1.3 C1=CC(=O)OC=C1 PI-46989 [1,0,0,0,0,0|2,0,0]=3 123 B7R1.3 C1=CC(=S)NC=C1 PI-11854 [1,0,0,0,0,0|1,0,1]=3 124 B7R1.3 C1=CC=C(C=C1)[Si] PI-45035 [1,0,0,0,0,0|1,1,0]=3 125 B7R1.3 C1=CC=NC(=C1)I PI-32173 [1,0,0,0,0,0|1,0,0]=2 126 B7R1.3 C1=CN=C(C=N1)Br PI-47341 [1,0,0,0,0,0|2,0,0]=3 127 B7R1.3 C1=CN=C(C=N1)Cl PI-11831 [1,0,0,0,0,0|2,0,0]=3 128 B7R1.3 C1=CN=C(N=C1)N PI-33106 [1,0,0,0,0,0|2,0,0]=3 129 B7R1.3 C1=CN=CC(=S)N1 PI-45037 [1,0,0,0,0,0|2,0,1]=4 130 B7R1.3 C1=CN=CC=C1Cl PI-16703 [1,0,0,0,0,0|3,0,0]=4 131 B7R1.3 C1=CN=CC=C1F PI-10293 [1,0,0,0,0,0|3,0,0]=4 132 B7R1.3 C1=CN=CC=C1F PI-28763 [1,0,0,0,0,0|3,0,0]=4 133 B7R1.3 C1=CN=CC=C1I PI-16167 [1,0,0,0,0,0|3,0,0]=4 134 B7R1.3 C1=CN=CN=C1Cl PI-47317 [1,0,0,0,0,0|2,0,0]=3 135 B7R1.3 C1=CN=CN=C1N PI-34789 [1,0,0,0,0,0|2,0,0]=3 136 B7R1.3 C1=CN=CNC1=O PI-21341 [1,0,0,0,0,0|2,0,1]=4 137 B7R1.3 C1=CN=CNC1=O PI-45002 [1,0,0,0,0,0|2,0,1]=4 138 B7R1.3 C1=CNC(=O)N=C1 PI-32626 [1,0,0,0,0,0|2,0,0]=3 139 B7R1.3 C1=CNC(=O)N=C1 PI-33107 [1,0,0,0,0,0|2,0,0]=3 140 B7R1.3 C1=CNC(=S)N=C1 PI-15316 [1,0,0,0,0,0|2,0,0]=3 141 B7R1.3 C1=CNC=CC1=S PI-33123 [1,0,0,0,0,0|3,0,0]=4 142 B7R1.3 C1=COC=CC1=O PI-43972 [1,0,0,0,0,0|3,0,0]=4 143 B7R1.3 CC1=CC=CC=N1 PI-38534 [1,0,0,0,0,0|0,0,0]=1 144 B7R1.3 CC1=CN=CN=C1 PI-21343 [1,0,0,0,0,0|3,0,0]=4 145 B7R1.3 CC1=CN=NC=C1 PI-31701 [1,0,0,0,0,0|3,0,0]=4 146 B7R1.3 CC1=NC=CN=C1 PI-48495 [1,0,0,0,0,0|1,0,0]=2 147 B7R1.3 C[N+]1=CC=CC=C1 PI-13346 [1,0,0,0,0,0|2,0,0]=3 148 B7R1.3 C[n+]1ccccc1 PI-17168 [1,0,0,0,0,0|2,0,0]=3 149 B7R1.3 Cc1ncccn1 PI-35192 [1,0,0,0,0,0|1,0,0]=2 150 B7R1.3 ClC1=NN=CC=C1 PI-37010 [1,0,0,0,0,0|2,0,0]=3 151 B7R1.3 Clc1cccnc1 PI-11921 [1,0,0,0,0,0|3,0,0]=4 152 B7R1.3 Clc1ccncn1 PI-38789 [1,0,0,0,0,0|2,0,0]=3 153 B7R1.3 Clc1ncccn1 PI-16275 [1,0,0,0,0,0|2,0,0]=3 154 B7R1.3 Fc1ccccn1 PI-11583 [1,0,0,0,0,0|1,0,0]=2 155 B7R1.3 Fc1cccnc1 PI-16759 [1,0,0,0,0,0|3,0,0]=4 156 B7R1.3 Ic1ccccc1 PI-37973 [1,0,0,0,0,0|2,0,0]=3 157 B7R1.3 Ic1cnccn1 PI-38885 [1,0,0,0,0,0|2,0,0]=3 158 B7R1.3 N[n+]1ccccc1 PI-10984 [1,0,0,0,0,0|3,0,0]=4 159 B7R1.3 Nc1cccnn1 PI-38601 [1,0,0,0,0,0|2,0,0]=3 160 B7R1.3 Nc1cnccn1 PI-29636 [1,0,0,0,0,0|2,0,0]=3 161 B7R1.3 Nc1ncncn1 PI-14137 [1,0,0,0,0,0|3,0,0]=4 162 B7R1.3 O=C1C=CC=NN1 PI-40006 [1,0,0,0,0,0|2,0,1]=4 163 B7R1.3 O=C1C=CNC=C1 PI-33984 [1,0,0,0,0,0|3,0,0]=4 164 B7R1.3 [S-]c1ccccc1 PI-17985 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.2 BrCc1cccc(I)c1 PI-29628 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.2 BrCc1cccc(c1)Br PI-13393 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.2 BrCc1cccc(c1)Cl PI-23167 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.2 Brc1cncc(n1)C#N PI-34860 [0,1,0,0,0,0|2,0,1]=4 169 B9R1.2 C#CC1=CC(=CC=C1)Br PI-30913 [0,1,0,0,0,0|2,0,1]=4 170 B9R1.2 C#CC1=CC(=CC=C1)Cl PI-30914 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.2 C#CC1=CC(=CC=C1)F PI-30388 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.2 C#Cc1cccc(N)c1 PI-10850 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.2 C1=C(C=NC=C1Br)CO PI-47170 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.2 C1=C(C=NC=C1Cl)CO PI-34717 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.2 C1=C(N=C(C=N1)Cl)NN PI-50493 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.2 C1=CC(=CC(=C1)Br)C#N PI-30857 [0,1,0,0,0,0|2,0,1]=4 177 B9R1.2 C1=CC(=CC(=C1)Br)CCl PI-35258 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.2 C1=CC(=CC(=C1)Br)CO PI-10954 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.2 C1=CC(=CC(=C1)Cl)CCl PI-34222 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.2 C1=CC(=CC(=C1)Cl)NN PI-29369 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.2 C1=CC(=CC(=C1)F)CBr PI-13389 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.2 C1=CC(=CC(=C1)F)CCl PI-34129 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.2 C1=CC(=CC(=C1)F)CO PI-16873 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.2 C1=CC(=CC(=C1)F)NN PI-29439 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [0,1,0,0,0,0|2,0,1]=4 186 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [0,1,0,0,0,0|2,0,1]=4 187 B9R1.2 C1=CC(=CC(=C1)O)C#N PI-35245 [0,1,0,0,0,0|2,0,1]=4 188 B9R1.2 C1=CC(=CC(=C1)O)CBr PI-43991 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.2 C1=CC(=CC(=C1)O)CO PI-11929 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.2 C1=CC(=NC(=C1)Br)C=O PI-21494 [0,1,0,0,0,0|1,0,1]=3 191 B9R1.2 C1=CC(=NC(=C1)Br)CBr PI-34987 [0,1,0,0,0,0|1,0,0]=2 192 B9R1.2 C1=CC(=NC(=C1)Br)CN PI-34988 [0,1,0,0,0,0|1,0,0]=2 193 B9R1.2 C1=CC(=NC(=C1)Br)CO PI-11552 [0,1,0,0,0,0|1,0,0]=2 194 B9R1.2 C1=CC(=NC(=C1)Br)NN PI-34719 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [0,1,0,0,0,0|1,0,0]=2 196 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [0,1,0,0,0,0|1,0,0]=2 197 B9R1.2 C1=CN=C(C=C1CBr)Br PI-40971 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.2 C1=CN=C(C=C1CO)Br PI-27098 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.2 C1=CN=C(C=C1CO)F PI-44971 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.2 C1=CN=C(N=C1NN)Cl PI-10285 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.2 C=CC1=CC(=CC=C1)Br PI-22598 [0,1,0,0,0,0|2,0,1]=4 203 B9R1.2 C=Cc1cccc(c1)C PI-40767 [0,1,0,0,0,0|1,0,1]=3 204 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [0,1,0,0,0,0|1,0,1]=3 205 B9R1.2 CC1=CC(=CC=C1)CN PI-35861 [0,1,0,0,0,0|1,0,0]=2 206 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [0,1,0,0,0,0|2,0,1]=4 207 B9R1.2 CC1=CC(=NC=C1)C#N PI-11834 [0,1,0,0,0,0|2,0,1]=4 208 B9R1.2 CC1=CC=CC(=N1)C#N PI-44998 [0,1,0,0,0,0|0,0,1]=2 209 B9R1.2 CC1=NC(=CC=C1)C=C PI-27081 [0,1,0,0,0,0|0,0,1]=2 210 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [0,1,0,0,0,0|0,0,1]=2 211 B9R1.2 CC1=NC(=CC=C1)NN PI-36907 [0,1,0,0,0,0|1,0,0]=2 212 B9R1.2 CC1=NC(=CC=C1)OC PI-10858 [0,1,0,0,0,0|0,0,0]=1 213 B9R1.2 CC1=NC=CC(=N1)OC PI-44930 [0,1,0,0,0,0|1,0,0]=2 214 B9R1.2 CCC1=CC(=CC=C1)Br PI-21410 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.2 CCC1=CC(=NC=C1)Br PI-24478 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.2 CCc1cccc(N)n1 PI-30318 [0,1,0,0,0,0|1,0,0]=2 217 B9R1.2 CCc1ccnc(c1)N PI-30483 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.2 CNc1cccc(c1)F PI-29299 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.2 COC1=CC(=CC=C1)Br PI-12683 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.2 COC1=CC(=CC=C1)S PI-13025 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.2 COC1=CC(=NC=C1)Cl PI-27253 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.2 COC1=CC(=NC=C1)N PI-31930 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.2 COC1=CC(=O)NC=C1 PI-47311 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.2 COC1=CC(Cl)=CC=C1 PI-31362 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.2 COC1=CC(F)=CC=C1 PI-12220 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.2 COC1=NC(=CC=C1)Br PI-34471 [0,1,0,0,0,0|1,0,0]=2 227 B9R1.2 COC1=NC(=NC=C1)Br PI-45082 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.2 COC1=NC(=NC=C1)Cl PI-45081 [0,1,0,0,0,0|2,0,0]=3 229 B9R1.2 COC1=NC=CC(=C1)I PI-36520 [0,1,0,0,0,0|3,0,0]=4 230 B9R1.2 COC1=NC=CC(Br)=N1 PI-46750 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.2 COC1=NC=NC(=N1)N PI-11784 [0,1,0,0,0,0|3,0,0]=4 232 B9R1.2 COc1cc(Br)cnc1 PI-38259 [0,1,0,0,0,0|3,0,0]=4 233 B9R1.2 COc1cc(Cl)ccn1 PI-26867 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.2 COc1cc(N)ccn1 PI-26277 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.2 COc1cc(N)cnc1 PI-33855 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.2 COc1cccc(c1)O PI-34658 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.2 COc1ccnc(I)n1 PI-36437 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.2 CSC1=CC(=CC=C1)Br PI-11915 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.2 CSC1=CC(=CC=C1)Cl PI-20243 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.2 CSC1=NC=CC(Br)=N1 PI-46740 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.2 CSc1cccc(c1)N PI-11908 [0,1,0,0,0,0|2,0,0]=3 242 B9R1.2 CSc1ccnc(Cl)n1 PI-33601 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.2 CSc1nc(Cl)ccn1 PI-34777 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.2 Clc1cccc(c1)C#N PI-31301 [0,1,0,0,0,0|2,0,1]=4 245 B9R1.2 FC1=NC(=CC=C1)C=O PI-39667 [0,1,0,0,0,0|1,0,1]=3 246 B9R1.2 N#Cc1cccc(F)c1 PI-16864 [0,1,0,0,0,0|2,0,1]=4 247 B9R1.2 N#Cc1cccc(c1)I PI-10114 [0,1,0,0,0,0|2,0,1]=4 248 B9R1.2 N#Cc1cccc(n1)Br PI-44992 [0,1,0,0,0,0|1,0,1]=3 249 B9R1.2 N#Cc1ccnc(n1)Cl PI-39127 [0,1,0,0,0,0|2,0,1]=4 250 B9R1.2 NCc1cc(Br)ccn1 PI-39476 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.2 NCc1cccc(Cl)c1 PI-15673 [0,1,0,0,0,0|2,0,0]=3 252 B9R1.2 NCc1cccc(c1)Br PI-21372 [0,1,0,0,0,0|2,0,0]=3 253 B9R1.2 NCc1cccc(c1)Br PI-38545 [0,1,0,0,0,0|2,0,0]=3 254 B9R1.2 NCc1cccc(c1)F PI-23480 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.2 NNc1cccc(Cl)n1 PI-34718 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.2 NNc1cccc(c1)Br PI-29422 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.2 NNc1cccc(c1)C PI-29814 [0,1,0,0,0,0|2,0,0]=3 258 B9R1.2 O=C1NC(SC)=NC=C1 PI-12294 [0,1,0,0,0,0|2,0,1]=4 259 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [0,1,0,0,0,0|2,0,1]=4 260 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [0,1,0,0,0,0|2,0,1]=4 261 B9R1.2 O=Cc1cccc(c1)F PI-11925 [0,1,0,0,0,0|2,0,1]=4 262 B9R1.2 O=Cc1cccc(c1)N PI-11906 [0,1,0,0,0,0|2,0,1]=4 263 B9R1.2 O=Cc1cccc(c1)O PI-34273 [0,1,0,0,0,0|2,0,1]=4 264 B9R1.2 O=Cc1ccnc(C)n1 PI-33598 [0,1,0,0,0,0|1,0,1]=3 265 B9R1.2 OCC1=CC(C)=NC=C1 PI-36994 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.2 OCC1=CC(N)=CN=C1 PI-35898 [0,1,0,0,0,0|3,0,0]=4 267 B9R1.2 OCc1cccc(c1)C PI-38620 [0,1,0,0,0,0|1,0,0]=2 268 B9R1.2 OCc1cccc(c1)Cl PI-11919 [0,1,0,0,0,0|2,0,0]=3 269 B9R1.2 SCc1cccc(F)c1 PI-23495 [0,1,0,0,0,0|2,0,0]=3 270 B9R1.2 [C-]#[N+]C1=CC(=CC=C1)Br PI-22496 [0,1,0,0,0,0|2,0,1]=4 271 B9R1.3 BrC1=C(C=CC=C1F)N PI-10616 [0,1,0,0,0,0|3,0,0]=4 272 B9R1.3 Brc1c(Cl)cccc1Br PI-36772 [0,1,0,0,0,0|3,0,0]=4 273 B9R1.3 Brc1c(O)cccc1F PI-27596 [0,1,0,0,0,0|3,0,0]=4 274 B9R1.3 Brc1cccc(c1C)Br PI-30854 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.3 Brc1cccc(c1F)Br PI-38886 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.3 C1=C(C(=C(C=C1)F)O)O PI-19501 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.3 C1=CC(=C(C(=C1)Br)Br)Br PI-49334 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.3 C1=CC(=C(C(=C1)Br)Br)F PI-43232 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.3 C1=CC(=C(C(=C1)Br)Cl)O PI-34265 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.3 C1=CC(=C(C(=C1)Br)I)O PI-44588 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.3 C1=CC(=C(C(=C1)Br)N)F PI-28732 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.3 C1=CC(=C(C(=C1)Br)O)F PI-10646 [0,1,0,0,0,0|3,0,0]=4 283 B9R1.3 C1=CC(=C(C(=C1)Br)O)N PI-33348 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.3 C1=CC(=C(C(=C1)Cl)Br)Cl PI-33015 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)F PI-21033 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)S PI-21353 [0,1,0,0,0,0|3,0,0]=4 287 B9R1.3 C1=CC(=C(C(=C1)Cl)F)F PI-28648 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.3 C1=CC(=C(C(=C1)Cl)N)F PI-16936 [0,1,0,0,0,0|3,0,0]=4 289 B9R1.3 C1=CC(=C(C(=C1)Cl)N)S PI-41796 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.3 C1=CC(=C(C(=C1)Cl)O)F PI-16877 [0,1,0,0,0,0|3,0,0]=4 291 B9R1.3 C1=CC(=C(C(=C1)Cl)S)Cl PI-17253 [0,1,0,0,0,0|3,0,0]=4 292 B9R1.3 C1=CC(=C(C(=C1)F)Cl)F PI-28470 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.3 C1=CC(=C(C(=C1)F)F)F PI-28163 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.3 C1=CC(=C(C(=C1)F)F)N PI-28539 [0,1,0,0,0,0|3,0,0]=4 295 B9R1.3 C1=CC(=C(C(=C1)F)I)F PI-34348 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.3 C1=CC(=C(C(=C1)I)Br)F PI-42952 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.3 C1=CC(=C(C(=C1)I)Cl)Cl PI-31839 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.3 C1=CC(=C(C(=C1)I)N)F PI-34647 [0,1,0,0,0,0|3,0,0]=4 299 B9R1.3 C1=CC(=C(C(=C1)O)Cl)N PI-34749 [0,1,0,0,0,0|3,0,0]=4 300 B9R1.3 C1=CC(=C(C(=C1)O)F)N PI-49267 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.3 C1=CC=C(C(=C1Br)C)N PI-19715 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.3 C1=CC=C(O)C(=C1O)Cl PI-10240 [0,1,0,0,0,0|3,0,0]=4 303 B9R1.3 CC1=C(Br)C(F)=NC=C1 PI-39751 [0,1,0,0,0,0|3,0,0]=4 304 B9R1.3 CC1=C(C(=CC=C1)Br)F PI-10666 [0,1,0,0,0,0|2,0,0]=3 305 B9R1.3 CC1=C(C(=CC=C1)Br)N PI-21583 [0,1,0,0,0,0|2,0,0]=3 306 B9R1.3 CC1=C(C(=CC=C1)Br)O PI-46963 [0,1,0,0,0,0|2,0,0]=3 307 B9R1.3 CC1=C(C(=CC=C1)C)Cl PI-11596 [0,1,0,0,0,0|1,0,0]=2 308 B9R1.3 CC1=C(C(=CC=C1)C)F PI-11594 [0,1,0,0,0,0|1,0,0]=2 309 B9R1.3 CC1=C(C(=CC=C1)C)O PI-48960 [0,1,0,0,0,0|1,0,0]=2 310 B9R1.3 CC1=C(C(=CC=C1)C)S PI-19078 [0,1,0,0,0,0|1,0,0]=2 311 B9R1.3 CC1=C(C(=CC=C1)Cl)Br PI-19844 [0,1,0,0,0,0|2,0,0]=3 312 B9R1.3 CC1=C(C(=CC=C1)Cl)F PI-28868 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.3 CC1=C(C(=CC=C1)Cl)I PI-19664 [0,1,0,0,0,0|2,0,0]=3 314 B9R1.3 CC1=C(C(=CC=C1)F)Br PI-33074 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.3 CC1=C(C(=CC=C1)F)F PI-16367 [0,1,0,0,0,0|2,0,0]=3 316 B9R1.3 CC1=C(C(=CC=C1)F)I PI-34489 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.3 CC1=C(C(=CC=C1)F)N PI-10462 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.3 CC1=C(C(=CC=C1)I)F PI-10671 [0,1,0,0,0,0|2,0,0]=3 319 B9R1.3 CC1=C(C(=CC=C1)N)C PI-27689 [0,1,0,0,0,0|2,0,0]=3 320 B9R1.3 CC1=C(C(=CC=C1)N)F PI-28254 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.3 CC1=C(C(=CC=C1)N)N PI-20954 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.3 CC1=C(C(=CC=C1)N)O PI-42097 [0,1,0,0,0,0|2,0,0]=3 323 B9R1.3 CC1=C(C(=CC=C1)O)Cl PI-42107 [0,1,0,0,0,0|2,0,0]=3 324 B9R1.3 CC1=C(C(=NC=C1)Cl)N PI-10382 [0,1,0,0,0,0|3,0,0]=4 325 B9R1.3 CC1=C(C(=NC=N1)C)N PI-45080 [0,1,0,0,0,0|3,0,0]=4 326 B9R1.3 CC1=C(C(=NC=N1)C)O PI-45131 [0,1,0,0,0,0|3,0,0]=4 327 B9R1.3 CC1=C(C)C(F)=CC=C1 PI-11597 [0,1,0,0,0,0|2,0,0]=3 328 B9R1.3 CC1=C(C=CC=C1Br)Cl PI-20670 [0,1,0,0,0,0|3,0,0]=4 329 B9R1.3 CC1=C(C=CC=C1Br)F PI-10665 [0,1,0,0,0,0|3,0,0]=4 330 B9R1.3 CC1=C(C=CC=C1F)F PI-10670 [0,1,0,0,0,0|3,0,0]=4 331 B9R1.3 CC1=C(C=CC=C1F)N PI-28534 [0,1,0,0,0,0|3,0,0]=4 332 B9R1.3 CC1=C(C=CC=C1F)O PI-33695 [0,1,0,0,0,0|3,0,0]=4 333 B9R1.3 CC1=C(C=CC=C1I)F PI-10674 [0,1,0,0,0,0|3,0,0]=4 334 B9R1.3 CC1=C(Cl)C(Cl)=CC=C1 PI-27484 [0,1,0,0,0,0|2,0,0]=3 335 B9R1.3 CC1=[N+](C(=CC=C1)C)[O-] PI-29049 [0,1,0,0,0,0|0,0,1]=2 336 B9R1.3 Cc1c(C)cccc1Br PI-38905 [0,1,0,0,0,0|2,0,0]=3 337 B9R1.3 Cc1c(F)cccc1Cl PI-33407 [0,1,0,0,0,0|3,0,0]=4 338 B9R1.3 Cc1c(O)cccc1O PI-13269 [0,1,0,0,0,0|3,0,0]=4 339 B9R1.3 Cc1cccc(c1Br)C PI-11595 [0,1,0,0,0,0|1,0,0]=2 340 B9R1.3 Cc1ccnc(c1F)Cl PI-34473 [0,1,0,0,0,0|3,0,0]=4 341 B9R1.3 ClC1=CC=CC(Br)=C1I PI-41926 [0,1,0,0,0,0|3,0,0]=4 342 B9R1.3 Clc1c(N)cccc1F PI-10619 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.3 Clc1c(O)cccc1Cl PI-37792 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.3 Clc1cccc(Cl)[n+]1[O-] PI-42561 [0,1,0,0,0,0|2,0,1]=4 345 B9R1.3 F[n+]1c(Cl)cccc1Cl PI-23568 [0,1,0,0,0,0|2,0,1]=4 346 B9R1.3 Fc1c(C)cccc1O PI-38225 [0,1,0,0,0,0|2,0,0]=3 347 B9R1.3 Fc1c(Cl)cccc1Br PI-11590 [0,1,0,0,0,0|3,0,0]=4 348 B9R1.3 Fc1c(Cl)cccc1I PI-20091 [0,1,0,0,0,0|3,0,0]=4 349 B9R1.3 Fc1c(F)cccc1Br PI-16365 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.3 Fc1c(N)cccc1Br PI-38904 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.3 Fc1c(O)cccc1F PI-10291 [0,1,0,0,0,0|3,0,0]=4 352 B9R1.3 Fc1cccc(c1Br)F PI-16368 [0,1,0,0,0,0|3,0,0]=4 353 B9R1.3 Fc1cccc(c1N)F PI-31231 [0,1,0,0,0,0|3,0,0]=4 354 B9R1.3 IC1=C(Br)C=CC=C1Br PI-46843 [0,1,0,0,0,0|3,0,0]=4 355 B9R1.3 Nc1c(C)cccc1Cl PI-12044 [0,1,0,0,0,0|2,0,0]=3 356 B9R1.3 Nc1c(C)cccc1O PI-11311 [0,1,0,0,0,0|2,0,0]=3 357 B9R1.3 Nc1c(Cl)cccc1I PI-36760 [0,1,0,0,0,0|3,0,0]=4 358 B9R1.3 Nc1c(O)cccc1Br PI-36538 [0,1,0,0,0,0|3,0,0]=4 359 B9R1.3 OC1=C(F)C(Br)=CC=C1 PI-40482 [0,1,0,0,0,0|3,0,0]=4 360 B9R1.3 OC1=C(F)C=CC=C1F PI-16916 [0,1,0,0,0,0|3,0,0]=4 361 B9R1.3 Oc1c(Br)cccc1Br PI-20984 [0,1,0,0,0,0|3,0,0]=4 362 B9R1.3 Oc1c(C)cccc1Cl PI-20168 [0,1,0,0,0,0|2,0,0]=3 363 B9R1.3 Oc1c(F)cccc1I PI-10652 [0,1,0,0,0,0|3,0,0]=4 364 B9R1.3 Oc1c(N)cccc1F PI-34504 [0,1,0,0,0,0|3,0,0]=4 365 B9R1.3 Oc1cccc(c1N)O PI-32329 [0,1,0,0,0,0|3,0,0]=4 366 B9R1.34 BrC1=CC(Br)=NC(Br)=N1 PI-37223 [0,1,0,0,0,0|3,0,0]=4 367 B9R1.34 Brc1cc(Br)cc(Br)c1 PI-11674 [0,1,0,0,0,0|3,0,0]=4 368 B9R1.34 C1=C(C=C(C=C1Br)Br)F PI-28148 [0,1,0,0,0,0|3,0,0]=4 369 B9R1.34 C1=C(C=C(C=C1Br)Br)O PI-34092 [0,1,0,0,0,0|3,0,0]=4 370 B9R1.34 C1=C(C=C(C=C1Cl)Br)F PI-11589 [0,1,0,0,0,0|3,0,0]=4 371 B9R1.34 C1=C(C=C(C=C1Cl)Br)O PI-34267 [0,1,0,0,0,0|3,0,0]=4 372 B9R1.34 C1=C(C=C(C=C1Cl)Cl)F PI-21034 [0,1,0,0,0,0|3,0,0]=4 373 B9R1.34 C1=C(C=C(C=C1Cl)Cl)S PI-17419 [0,1,0,0,0,0|3,0,0]=4 374 B9R1.34 C1=C(C=C(C=C1F)F)F PI-28455 [0,1,0,0,0,0|3,0,0]=4 375 B9R1.34 C1=C(C=C(C=C1F)F)N PI-16948 [0,1,0,0,0,0|3,0,0]=4 376 B9R1.34 C1=C(C=C(C=C1F)I)F PI-28290 [0,1,0,0,0,0|3,0,0]=4 377 B9R1.34 C1=C(C=C(C=C1I)I)O PI-35825 [0,1,0,0,0,0|3,0,0]=4 378 B9R1.34 C1=C(C=C(N=C1N)N)Br PI-33870 [0,1,0,0,0,0|2,0,0]=3 379 B9R1.34 C1=C(N=C(N=C1Cl)Cl)Cl PI-31173 [0,1,0,0,0,0|3,0,0]=4 380 B9R1.34 C1=C(N=C(N=C1F)F)N PI-10277 [0,1,0,0,0,0|3,0,0]=4 381 B9R1.34 C1=C(N=C(N=C1F)N)F PI-16299 [0,1,0,0,0,0|3,0,0]=4 382 B9R1.34 C1=C(NC(=O)N=C1N)Cl PI-16329 [0,1,0,0,0,0|3,0,0]=4 383 B9R1.34 CC1=CC(=CC(=C1)Br)Br PI-30186 [0,1,0,0,0,0|2,0,0]=3 384 B9R1.34 CC1=CC(=CC(=C1)Br)F PI-10667 [0,1,0,0,0,0|2,0,0]=3 385 B9R1.34 CC1=CC(=CC(=C1)Cl)C PI-19721 [0,1,0,0,0,0|1,0,0]=2 386 B9R1.34 CC1=CC(=CC(=C1)Cl)F PI-19987 [0,1,0,0,0,0|2,0,0]=3 387 B9R1.34 CC1=CC(=CC(=C1)F)C PI-21948 [0,1,0,0,0,0|1,0,0]=2 388 B9R1.34 CC1=CC(=CC(=C1)O)O PI-10527 [0,1,0,0,0,0|2,0,0]=3 389 B9R1.34 CC1=CC(=CC(=N1)C)Br PI-35010 [0,1,0,0,0,0|0,0,0]=1 390 B9R1.34 CC1=CC(=CC(=N1)C)Cl PI-35009 [0,1,0,0,0,0|0,0,0]=1 391 B9R1.34 CC1=CC(=CC(=N1)C)I PI-35012 [0,1,0,0,0,0|0,0,0]=1 392 B9R1.34 CC1=CC(=C[N+](=C1)[O-])C PI-42565 [0,1,0,0,0,0|2,0,0]=3 393 B9R1.34 CC1=CC(=NC(=C1)C)C PI-20726 [0,1,0,0,0,0|0,0,0]=1 394 B9R1.34 CC1=CC(=NC(=C1)N)C PI-30696 [0,1,0,0,0,0|1,0,0]=2 395 B9R1.34 CC1=CC(=NC(=N1)C)Cl PI-21319 [0,1,0,0,0,0|1,0,0]=2 396 B9R1.34 CC1=CC(=NC(=N1)Cl)C PI-21318 [0,1,0,0,0,0|2,0,0]=3 397 B9R1.34 CC1=CC(=NC(=N1)N)Cl PI-33699 [0,1,0,0,0,0|2,0,0]=3 398 B9R1.34 CC1=CC(=NC(=O)N1)C PI-31788 [0,1,0,0,0,0|2,0,0]=3 399 B9R1.34 CC1=CC(=O)NC(=N1)C PI-21333 [0,1,0,0,0,0|1,0,0]=2 400 B9R1.34 CC1=CC(=[O+]C(=C1)C)C PI-47145 [0,1,0,0,0,0|1,0,0]=2 401 B9R1.34 CC1=NC(=CC(=O)N1)O PI-12843 [0,1,0,0,0,0|2,0,0]=3 402 B9R1.34 CC1=NC(=NC(=O)N1)N PI-30192 [0,1,0,0,0,0|3,0,0]=4 403 B9R1.34 Cc1cc(=O)[nH]c(=S)[nH]1 PI-13213 [0,1,0,0,0,0|2,0,1]=4 404 B9R1.34 Cc1cc(C)cc(S)c1 PI-22000 [0,1,0,0,0,0|1,0,0]=2 405 B9R1.34 Cc1cc(C)cc(c1)Br PI-38330 [0,1,0,0,0,0|1,0,0]=2 406 B9R1.34 Cc1cc(C)nc(C)c1 PI-32521 [0,1,0,0,0,0|0,0,0]=1 407 B9R1.34 Cc1cc(C)nc(N)n1 PI-12876 [0,1,0,0,0,0|2,0,0]=3 408 B9R1.34 Cc1cc(C)nc(S)n1 PI-33476 [0,1,0,0,0,0|2,0,0]=3 409 B9R1.34 Cc1cc(Cl)nc(n1)Cl PI-31224 [0,1,0,0,0,0|2,0,0]=3 410 B9R1.34 Cc1cc(F)cc(c1)F PI-33075 [0,1,0,0,0,0|2,0,0]=3 411 B9R1.34 Cc1cc(N)cc(c1)Cl PI-39722 [0,1,0,0,0,0|2,0,0]=3 412 B9R1.34 Cc1cc(N)cc(c1)F PI-10625 [0,1,0,0,0,0|2,0,0]=3 413 B9R1.34 Cc1cc(N)nc(C)n1 PI-33478 [0,1,0,0,0,0|1,0,0]=2 414 B9R1.34 Cc1cc(O)cc(c1)Br PI-33356 [0,1,0,0,0,0|2,0,0]=3 415 B9R1.34 Cc1cc(O)nc(N)n1 PI-33693 [0,1,0,0,0,0|2,0,0]=3 416 B9R1.34 ClC1=CC(Br)=CC(Cl)=N1 PI-37420 [0,1,0,0,0,0|2,0,0]=3 417 B9R1.34 Clc1cc(=O)[nH]c(n1)N PI-30090 [0,1,0,0,0,0|3,0,0]=4 418 B9R1.34 Clc1cc(Br)cc(c1)Br PI-35806 [0,1,0,0,0,0|3,0,0]=4 419 B9R1.34 Clc1cc(Br)cc(c1)I PI-36792 [0,1,0,0,0,0|3,0,0]=4 420 B9R1.34 Clc1cc(Cl)cc(Br)c1 PI-11894 [0,1,0,0,0,0|3,0,0]=4 421 B9R1.34 Clc1cc(Cl)cc(I)c1 PI-30450 [0,1,0,0,0,0|3,0,0]=4 422 B9R1.34 Clc1cc(Cl)nc(n1)C PI-15334 [0,1,0,0,0,0|2,0,0]=3 423 B9R1.34 Clc1cc(Cl)nc(n1)N PI-31001 [0,1,0,0,0,0|3,0,0]=4 424 B9R1.34 Clc1cc(N)nc(Cl)c1 PI-27094 [0,1,0,0,0,0|2,0,0]=3 425 B9R1.34 Fc1cc(Br)cc(I)c1 PI-21452 [0,1,0,0,0,0|3,0,0]=4 426 B9R1.34 Fc1cc(F)cc(Cl)c1 PI-28147 [0,1,0,0,0,0|3,0,0]=4 427 B9R1.34 Fc1cc(F)cc(c1)Br PI-11897 [0,1,0,0,0,0|3,0,0]=4 428 B9R1.34 Fc1cc(F)nc(F)c1 PI-11018 [0,1,0,0,0,0|2,0,0]=3 429 B9R1.34 IC1=CC(Br)=CC(Br)=C1 PI-41778 [0,1,0,0,0,0|3,0,0]=4 430 B9R1.34 Ic1cc(C)nc(c1)F PI-39154 [0,1,0,0,0,0|1,0,0]=2 431 B9R1.34 NC1=CC(Br)=CC(Br)=C1 PI-41779 [0,1,0,0,0,0|3,0,0]=4 432 B9R1.34 NC1=CC(Cl)=CC(N)=C1 PI-30495 [0,1,0,0,0,0|3,0,0]=4 433 B9R1.34 NC1=CC(Cl)=NC(N)=N1 PI-31075 [0,1,0,0,0,0|3,0,0]=4 434 B9R1.34 NC1=CC(N)=CC(N)=C1 PI-39677 [0,1,0,0,0,0|3,0,0]=4 435 B9R1.34 Nc1cc(C)nc(c1)C PI-38724 [0,1,0,0,0,0|0,0,0]=1 436 B9R1.34 Nc1cc(Cl)nc(Cl)n1 PI-10284 [0,1,0,0,0,0|3,0,0]=4 437 B9R1.34 Nc1cc(F)nc(n1)N PI-16306 [0,1,0,0,0,0|3,0,0]=4 438 B9R1.34 Nc1cc(N)nc(N)n1 PI-11507 [0,1,0,0,0,0|3,0,0]=4 439 B9R1.34 Nc1cc(N)nc(S)n1 PI-11953 [0,1,0,0,0,0|3,0,0]=4 440 B9R1.34 Nc1cc(O)nc(n1)N PI-15456 [0,1,0,0,0,0|3,0,0]=4 441 B9R1.34 O=c1cc(C)oc(C)c1 PI-29024 [0,1,0,0,0,0|1,0,0]=2 442 B9R1.34 Oc1cc(C)nc(c1)C PI-16037 [0,1,0,0,0,0|0,0,0]=1 443 B9R1.34 Oc1cc(Cl)cc(c1)Cl PI-37316 [0,1,0,0,0,0|3,0,0]=4 444 B9R1.34 Oc1cc(F)cc(Br)c1 PI-34268 [0,1,0,0,0,0|3,0,0]=4 445 B9R1.34 Oc1cc(F)cc(c1)Cl PI-38861 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.34 Oc1cc(F)cc(c1)F PI-16915 [0,1,0,0,0,0|3,0,0]=4 447 B9R1.34 Oc1cc(O)cc(c1)O PI-16481 [0,1,0,0,0,0|3,0,0]=4 448 B9R1.34 Oc1cc(O)cc(c1)O PI-39326 [0,1,0,0,0,0|3,0,0]=4 449 B9R1.34 Oc1cc(O)nc(N)n1 PI-28001 [0,1,0,0,0,0|3,0,0]=4 450 B9R1.34 Oc1cc(O)nc(S)n1 PI-33477 [0,1,0,0,0,0|3,0,0]=4 451 B9R1.69 BrC1=CC(=C(C=C1)C)Cl PI-20673 [0,1,0,0,0,0|3,0,0]=4 452 B9R1.69 BrC1=CN=C(C(=C1)C)C PI-41495 [0,1,0,0,0,0|3,0,0]=4 453 B9R1.69 Brc1ccc(=O)n(C)c1 PI-35908 [0,1,0,0,0,0|3,0,0]=4 454 B9R1.69 Brc1ccc(N)c(Br)n1 PI-10325 [0,1,0,0,0,0|2,0,0]=3 455 B9R1.69 Brc1ccc(N)c(C)c1 PI-11003 [0,1,0,0,0,0|2,0,0]=3 456 B9R1.69 Brc1ccc(N)c(N)c1 PI-34413 [0,1,0,0,0,0|3,0,0]=4 457 B9R1.69 Brc1ccc(c(c1)Br)F PI-28149 [0,1,0,0,0,0|3,0,0]=4 458 B9R1.69 Brc1ccc(c(c1)C)I PI-21533 [0,1,0,0,0,0|2,0,0]=3 459 B9R1.69 Brc1ccc(c(c1)F)Br PI-20968 [0,1,0,0,0,0|3,0,0]=4 460 B9R1.69 Brc1ccc(c(c1)F)Cl PI-28679 [0,1,0,0,0,0|3,0,0]=4 461 B9R1.69 Brc1ccc(c(c1)F)F PI-10759 [0,1,0,0,0,0|3,0,0]=4 462 B9R1.69 Brc1ccc(c(c1)F)O PI-31106 [0,1,0,0,0,0|3,0,0]=4 463 B9R1.69 Brc1ccc(c(c1)N)F PI-21432 [0,1,0,0,0,0|3,0,0]=4 464 B9R1.69 Brc1ccc(c(c1)O)F PI-33069 [0,1,0,0,0,0|3,0,0]=4 465 B9R1.69 Brc1cnc(Br)c(C)c1 PI-16819 [0,1,0,0,0,0|3,0,0]=4 466 B9R1.69 Brc1cnc(c(n1)Br)N PI-29383 [0,1,0,0,0,0|3,0,0]=4 467 B9R1.69 Brc1ncc(N)c(C)c1 PI-20000 [0,1,0,0,0,0|3,0,0]=4 468 B9R1.69 C1=C(C(=CC=C1Br)O)C PI-22157 [0,1,0,0,0,0|2,0,0]=3 469 B9R1.69 C1=C(C(=CC=C1F)O)C PI-16986 [0,1,0,0,0,0|2,0,0]=3 470 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)F PI-15246 [0,1,0,0,0,0|3,0,0]=4 471 B9R1.69 C1=C(C(=NC(=N1)Cl)N)F PI-16325 [0,1,0,0,0,0|3,0,0]=4 472 B9R1.69 C1=C(N=C(C(=N1)Br)Cl)Cl PI-45640 [0,1,0,0,0,0|3,0,0]=4 473 B9R1.69 C1=C(N=C(C(=N1)Br)N)Cl PI-44559 [0,1,0,0,0,0|3,0,0]=4 474 B9R1.69 C1=C(N=C(C(=N1)N)Cl)Br PI-45668 [0,1,0,0,0,0|3,0,0]=4 475 B9R1.69 C1=CC(=C(C=C1Br)Cl)Cl PI-21594 [0,1,0,0,0,0|3,0,0]=4 476 B9R1.69 C1=CC(=C(C=C1Br)Cl)I PI-20639 [0,1,0,0,0,0|3,0,0]=4 477 B9R1.69 C1=CC(=C(C=C1Br)Cl)N PI-20600 [0,1,0,0,0,0|3,0,0]=4 478 B9R1.69 C1=CC(=C(C=C1Br)F)N PI-21433 [0,1,0,0,0,0|3,0,0]=4 479 B9R1.69 C1=CC(=C(C=C1Br)F)N PI-32450 [0,1,0,0,0,0|3,0,0]=4 480 B9R1.69 C1=CC(=C(C=C1Br)N)O PI-33346 [0,1,0,0,0,0|3,0,0]=4 481 B9R1.69 C1=CC(=C(C=C1Br)O)Cl PI-32432 [0,1,0,0,0,0|3,0,0]=4 482 B9R1.69 C1=CC(=C(C=C1Cl)Br)O PI-33867 [0,1,0,0,0,0|3,0,0]=4 483 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Br PI-21592 [0,1,0,0,0,0|3,0,0]=4 484 B9R1.69 C1=CC(=C(C=C1Cl)Cl)F PI-16889 [0,1,0,0,0,0|3,0,0]=4 485 B9R1.69 C1=CC(=C(C=C1Cl)Cl)S PI-21086 [0,1,0,0,0,0|3,0,0]=4 486 B9R1.69 C1=CC(=C(C=C1Cl)F)Cl PI-16933 [0,1,0,0,0,0|3,0,0]=4 487 B9R1.69 C1=CC(=C(C=C1Cl)F)I PI-20092 [0,1,0,0,0,0|3,0,0]=4 488 B9R1.69 C1=CC(=C(C=C1Cl)F)N PI-31238 [0,1,0,0,0,0|3,0,0]=4 489 B9R1.69 C1=CC(=C(C=C1Cl)F)O PI-28420 [0,1,0,0,0,0|3,0,0]=4 490 B9R1.69 C1=CC(=C(C=C1Cl)I)Cl PI-21046 [0,1,0,0,0,0|3,0,0]=4 491 B9R1.69 C1=CC(=C(C=C1Cl)N)F PI-28267 [0,1,0,0,0,0|3,0,0]=4 492 B9R1.69 C1=CC(=C(C=C1Cl)N)N PI-16272 [0,1,0,0,0,0|3,0,0]=4 493 B9R1.69 C1=CC(=C(C=C1Cl)O)Br PI-34266 [0,1,0,0,0,0|3,0,0]=4 494 B9R1.69 C1=CC(=C(C=C1Cl)O)N PI-11790 [0,1,0,0,0,0|3,0,0]=4 495 B9R1.69 C1=CC(=C(C=C1Cl)S)Cl PI-21357 [0,1,0,0,0,0|3,0,0]=4 496 B9R1.69 C1=CC(=C(C=C1F)Br)Br PI-20967 [0,1,0,0,0,0|3,0,0]=4 497 B9R1.69 C1=CC(=C(C=C1F)Br)Cl PI-20627 [0,1,0,0,0,0|3,0,0]=4 498 B9R1.69 C1=CC(=C(C=C1F)Br)F PI-28496 [0,1,0,0,0,0|3,0,0]=4 499 B9R1.69 C1=CC(=C(C=C1F)Br)N PI-16538 [0,1,0,0,0,0|3,0,0]=4 500 B9R1.69 C1=CC(=C(C=C1F)Cl)Br PI-20629 [0,1,0,0,0,0|3,0,0]=4 501 B9R1.69 C1=CC(=C(C=C1F)Cl)Cl PI-16890 [0,1,0,0,0,0|3,0,0]=4 502 B9R1.69 C1=CC(=C(C=C1F)Cl)O PI-16901 [0,1,0,0,0,0|3,0,0]=4 503 B9R1.69 C1=CC(=C(C=C1F)F)Cl PI-16888 [0,1,0,0,0,0|3,0,0]=4 504 B9R1.69 C1=CC(=C(C=C1F)F)O PI-16940 [0,1,0,0,0,0|3,0,0]=4 505 B9R1.69 C1=CC(=C(C=C1F)I)Br PI-14444 [0,1,0,0,0,0|3,0,0]=4 506 B9R1.69 C1=CC(=C(C=C1F)I)N PI-10294 [0,1,0,0,0,0|3,0,0]=4 507 B9R1.69 C1=CC(=C(C=C1F)N)Cl PI-28546 [0,1,0,0,0,0|3,0,0]=4 508 B9R1.69 C1=CC(=C(C=C1F)N)I PI-10621 [0,1,0,0,0,0|3,0,0]=4 509 B9R1.69 C1=CC(=C(C=C1F)N)N PI-30535 [0,1,0,0,0,0|3,0,0]=4 510 B9R1.69 C1=CC(=C(C=C1F)O)N PI-28627 [0,1,0,0,0,0|3,0,0]=4 511 B9R1.69 C1=CC(=C(C=C1I)Cl)Cl PI-30279 [0,1,0,0,0,0|3,0,0]=4 512 B9R1.69 C1=CC(=C(C=C1I)Cl)F PI-17308 [0,1,0,0,0,0|3,0,0]=4 513 B9R1.69 C1=CC(=C(C=C1I)Cl)N PI-12088 [0,1,0,0,0,0|3,0,0]=4 514 B9R1.69 C1=CC(=C(C=C1I)F)F PI-28714 [0,1,0,0,0,0|3,0,0]=4 515 B9R1.69 C1=CC(=C(C=C1I)F)N PI-16385 [0,1,0,0,0,0|3,0,0]=4 516 B9R1.69 C1=CC(=C(C=C1I)F)O PI-43132 [0,1,0,0,0,0|3,0,0]=4 517 B9R1.69 C1=CC(=C(C=C1N)Cl)F PI-15213 [0,1,0,0,0,0|3,0,0]=4 518 B9R1.69 C1=CC(=C(C=C1N)Cl)N PI-30776 [0,1,0,0,0,0|3,0,0]=4 519 B9R1.69 C1=CC(=C(C=C1N)F)Cl PI-28447 [0,1,0,0,0,0|3,0,0]=4 520 B9R1.69 C1=CC(=C(C=C1N)I)N PI-34733 [0,1,0,0,0,0|3,0,0]=4 521 B9R1.69 C1=CC(=C(C=C1N)N)F PI-28702 [0,1,0,0,0,0|3,0,0]=4 522 B9R1.69 C1=CC(=C(C=C1N)N)N PI-30777 [0,1,0,0,0,0|3,0,0]=4 523 B9R1.69 C1=CC(=C(C=C1O)Cl)F PI-16912 [0,1,0,0,0,0|3,0,0]=4 524 B9R1.69 C1=CC(=C(C=C1O)F)Cl PI-10651 [0,1,0,0,0,0|3,0,0]=4 525 B9R1.69 C1=CC(=C(C=C1O)F)N PI-16958 [0,1,0,0,0,0|3,0,0]=4 526 B9R1.69 C1=CC(=C(C=C1S)Cl)Cl PI-21087 [0,1,0,0,0,0|3,0,0]=4 527 B9R1.69 C1=CC(=C(C=C1S)Cl)F PI-20118 [0,1,0,0,0,0|3,0,0]=4 528 B9R1.69 C1=CC(=C(C=C1S)F)F PI-28680 [0,1,0,0,0,0|3,0,0]=4 529 B9R1.69 C1=CC(=C(C=C1S)S)Cl PI-11011 [0,1,0,0,0,0|3,0,0]=4 530 B9R1.69 C1=CC(=NC(=C1N)Cl)Cl PI-30798 [0,1,0,0,0,0|2,0,0]=3 531 B9R1.69 C1=CC(=NC(=C1N)N)Cl PI-32634 [0,1,0,0,0,0|2,0,0]=3 532 B9R1.69 C1=CC(=O)C(=CC1=O)Cl PI-17305 [0,1,0,0,0,0|3,0,0]=4 533 B9R1.69 CC1=C(C=C(C=C1)Br)N PI-31358 [0,1,0,0,0,0|3,0,0]=4 534 B9R1.69 CC1=C(C=C(C=C1)Cl)Br PI-20668 [0,1,0,0,0,0|3,0,0]=4 535 B9R1.69 CC1=C(C=C(C=C1)Cl)F PI-16988 [0,1,0,0,0,0|3,0,0]=4 536 B9R1.69 CC1=C(C=C(C=C1)Cl)I PI-19456 [0,1,0,0,0,0|3,0,0]=4 537 B9R1.69 CC1=C(C=C(C=C1)Cl)O PI-28617 [0,1,0,0,0,0|3,0,0]=4 538 B9R1.69 CC1=C(C=C(C=C1)F)C PI-11592 [0,1,0,0,0,0|2,0,0]=3 539 B9R1.69 CC1=C(C=C(C=C1)F)Cl PI-28544 [0,1,0,0,0,0|3,0,0]=4 540 B9R1.69 CC1=C(C=C(C=C1)F)F PI-28545 [0,1,0,0,0,0|3,0,0]=4 541 B9R1.69 CC1=C(C=C(C=C1)F)I PI-10676 [0,1,0,0,0,0|3,0,0]=4 542 B9R1.69 CC1=C(C=C(C=C1)F)N PI-16382 [0,1,0,0,0,0|3,0,0]=4 543 B9R1.69 CC1=C(C=C(C=C1)I)F PI-10672 [0,1,0,0,0,0|3,0,0]=4 544 B9R1.69 CC1=C(C=C(C=C1)I)N PI-19927 [0,1,0,0,0,0|3,0,0]=4 545 B9R1.69 CC1=C(C=C(C=C1)N)Br PI-10966 [0,1,0,0,0,0|3,0,0]=4 546 B9R1.69 CC1=C(C=C(C=C1)N)Cl PI-34322 [0,1,0,0,0,0|3,0,0]=4 547 B9R1.69 CC1=C(C=C(C=C1)N)F PI-16383 [0,1,0,0,0,0|3,0,0]=4 548 B9R1.69 CC1=C(C=C(C=C1)N)I PI-19496 [0,1,0,0,0,0|3,0,0]=4 549 B9R1.69 CC1=C(C=C(C=C1)N)O PI-11314 [0,1,0,0,0,0|3,0,0]=4 550 B9R1.69 CC1=C(C=C(C=C1)O)N PI-11312 [0,1,0,0,0,0|3,0,0]=4 551 B9R1.69 CC1=C(C=C(C=C1)S)C PI-11009 [0,1,0,0,0,0|2,0,0]=3 552 B9R1.69 CC1=C(C=CC(=C1)Br)Cl PI-20675 [0,1,0,0,0,0|2,0,0]=3 553 B9R1.69 CC1=C(C=CC(=C1)Br)F PI-31216 [0,1,0,0,0,0|2,0,0]=3 554 B9R1.69 CC1=C(C=CC(=C1)Cl)F PI-28542 [0,1,0,0,0,0|2,0,0]=3 555 B9R1.69 CC1=C(C=CC(=C1)Cl)N PI-34323 [0,1,0,0,0,0|2,0,0]=3 556 B9R1.69 CC1=C(C=CC(=C1)Cl)O PI-11333 [0,1,0,0,0,0|2,0,0]=3 557 B9R1.69 CC1=C(C=CC(=C1)F)Br PI-16983 [0,1,0,0,0,0|2,0,0]=3 558 B9R1.69 CC1=C(C=CC(=C1)F)Cl PI-16931 [0,1,0,0,0,0|2,0,0]=3 559 B9R1.69 CC1=C(C=CC(=C1)F)F PI-28543 [0,1,0,0,0,0|2,0,0]=3 560 B9R1.69 CC1=C(C=CC(=C1)F)I PI-10678 [0,1,0,0,0,0|2,0,0]=3 561 B9R1.69 CC1=C(C=CC(=C1)F)N PI-16985 [0,1,0,0,0,0|2,0,0]=3 562 B9R1.69 CC1=C(C=CC(=C1)I)Cl PI-19072 [0,1,0,0,0,0|2,0,0]=3 563 B9R1.69 CC1=C(C=CC(=C1)I)F PI-10673 [0,1,0,0,0,0|2,0,0]=3 564 B9R1.69 CC1=C(C=CC(=C1)I)N PI-30113 [0,1,0,0,0,0|2,0,0]=3 565 B9R1.69 CC1=C(C=CC(=C1)N)Cl PI-24577 [0,1,0,0,0,0|2,0,0]=3 566 B9R1.69 CC1=C(C=CC(=C1)N)F PI-16984 [0,1,0,0,0,0|2,0,0]=3 567 B9R1.69 CC1=C(C=CC(=C1)N)O PI-10082 [0,1,0,0,0,0|2,0,0]=3 568 B9R1.69 CC1=C(C=CC(=C1)O)F PI-10655 [0,1,0,0,0,0|2,0,0]=3 569 B9R1.69 CC1=C(C=CC(=C1)O)N PI-11473 [0,1,0,0,0,0|2,0,0]=3 570 B9R1.69 CC1=C(C=CC(=C1)S)F PI-23789 [0,1,0,0,0,0|2,0,0]=3 571 B9R1.69 CC1=C(C=CC(=N1)Br)Br PI-34456 [0,1,0,0,0,0|1,0,0]=2 572 B9R1.69 CC1=C(C=CC(=N1)Br)F PI-10396 [0,1,0,0,0,0|1,0,0]=2 573 B9R1.69 CC1=C(C=CC(=N1)Br)N PI-34984 [0,1,0,0,0,0|1,0,0]=2 574 B9R1.69 CC1=C(C=CC(=N1)Cl)F PI-34442 [0,1,0,0,0,0|1,0,0]=2 575 B9R1.69 CC1=C(C=CC(=N1)F)Br PI-35833 [0,1,0,0,0,0|1,0,0]=2 576 B9R1.69 CC1=C(C=CC(=N1)F)N PI-32879 [0,1,0,0,0,0|1,0,0]=2 577 B9R1.69 CC1=C(C=CC(=N1)N)Br PI-10444 [0,1,0,0,0,0|1,0,0]=2 578 B9R1.69 CC1=C(C=CC(=N1)N)Cl PI-34982 [0,1,0,0,0,0|1,0,0]=2 579 B9R1.69 CC1=C(N=C(C=C1)N)Cl PI-39853 [0,1,0,0,0,0|2,0,0]=3 580 B9R1.69 CC1=CC(=C(C=C1)Br)Cl PI-20674 [0,1,0,0,0,0|2,0,0]=3 581 B9R1.69 CC1=CC(=C(C=C1)C)O PI-33176 [0,1,0,0,0,0|2,0,0]=3 582 B9R1.69 CC1=CC(=C(C=C1)C)S PI-21355 [0,1,0,0,0,0|2,0,0]=3 583 B9R1.69 CC1=CC(=C(C=C1)Cl)Br PI-20672 [0,1,0,0,0,0|2,0,0]=3 584 B9R1.69 CC1=CC(=C(C=C1)Cl)C PI-24680 [0,1,0,0,0,0|1,0,0]=2 585 B9R1.69 CC1=CC(=C(C=C1)Cl)F PI-10669 [0,1,0,0,0,0|2,0,0]=3 586 B9R1.69 CC1=CC(=C(C=C1)Cl)N PI-17325 [0,1,0,0,0,0|2,0,0]=3 587 B9R1.69 CC1=CC(=C(C=C1)Cl)O PI-42096 [0,1,0,0,0,0|2,0,0]=3 588 B9R1.69 CC1=CC(=C(C=C1)F)Cl PI-10668 [0,1,0,0,0,0|2,0,0]=3 589 B9R1.69 CC1=CC(=C(C=C1)F)F PI-16918 [0,1,0,0,0,0|2,0,0]=3 590 B9R1.69 CC1=CC(=C(C=C1)F)I PI-10677 [0,1,0,0,0,0|2,0,0]=3 591 B9R1.69 CC1=CC(=C(C=C1)F)N PI-16989 [0,1,0,0,0,0|2,0,0]=3 592 B9R1.69 CC1=CC(=C(C=C1)F)O PI-10653 [0,1,0,0,0,0|2,0,0]=3 593 B9R1.69 CC1=CC(=C(C=C1)I)Br PI-21532 [0,1,0,0,0,0|2,0,0]=3 594 B9R1.69 CC1=CC(=C(C=C1)I)Cl PI-19073 [0,1,0,0,0,0|2,0,0]=3 595 B9R1.69 CC1=CC(=C(C=C1)I)F PI-10675 [0,1,0,0,0,0|2,0,0]=3 596 B9R1.69 CC1=CC(=C(C=C1)I)I PI-19174 [0,1,0,0,0,0|2,0,0]=3 597 B9R1.69 CC1=CC(=C(C=C1)N)C PI-27338 [0,1,0,0,0,0|1,0,0]=2 598 B9R1.69 CC1=CC(=C(C=C1)N)Cl PI-20150 [0,1,0,0,0,0|2,0,0]=3 599 B9R1.69 CC1=CC(=C(C=C1)N)O PI-28344 [0,1,0,0,0,0|2,0,0]=3 600 B9R1.69 CC1=CC(=C(C=C1)N)S PI-41435 [0,1,0,0,0,0|2,0,0]=3 601 B9R1.69 CC1=CC(=C(C=C1)O)Cl PI-19823 [0,1,0,0,0,0|2,0,0]=3 602 B9R1.69 CC1=CC(=C(C=C1)O)N PI-44624 [0,1,0,0,0,0|2,0,0]=3 603 B9R1.69 CC1=CC(=C(C=C1)S)C PI-21999 [0,1,0,0,0,0|1,0,0]=2 604 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30102 [0,1,0,0,0,0|2,0,0]=3 605 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30441 [0,1,0,0,0,0|2,0,0]=3 606 B9R1.69 CC1=CC(=C(N=C1)C)C PI-16692 [0,1,0,0,0,0|2,0,0]=3 607 B9R1.69 CC1=CC(=C(N=C1)Cl)F PI-16765 [0,1,0,0,0,0|3,0,0]=4 608 B9R1.69 CC1=CC(=C(N=C1)Cl)N PI-30504 [0,1,0,0,0,0|3,0,0]=4 609 B9R1.69 CC1=CC(=C(N=C1)F)Br PI-34448 [0,1,0,0,0,0|3,0,0]=4 610 B9R1.69 CC1=CC(=C(N=C1)N)Br PI-24152 [0,1,0,0,0,0|3,0,0]=4 611 B9R1.69 CC1=CC(=CN=C1Br)N PI-27538 [0,1,0,0,0,0|3,0,0]=4 612 B9R1.69 CC1=CC(=CN=C1Cl)Br PI-24299 [0,1,0,0,0,0|3,0,0]=4 613 B9R1.69 CC1=CC(=CN=C1Cl)F PI-32877 [0,1,0,0,0,0|3,0,0]=4 614 B9R1.69 CC1=CC(=CN=C1Cl)N PI-34979 [0,1,0,0,0,0|3,0,0]=4 615 B9R1.69 CC1=CC(=CN=C1F)Br PI-32872 [0,1,0,0,0,0|3,0,0]=4 616 B9R1.69 CC1=CC(=CN=C1F)N PI-32878 [0,1,0,0,0,0|3,0,0]=4 617 B9R1.69 CC1=CC(=CN=C1N)Br PI-25459 [0,1,0,0,0,0|3,0,0]=4 618 B9R1.69 CC1=CC(=NC=C1Br)Br PI-39259 [0,1,0,0,0,0|3,0,0]=4 619 B9R1.69 CC1=CC(=NC=C1N)Cl PI-30838 [0,1,0,0,0,0|3,0,0]=4 620 B9R1.69 CC1=CC(N)=NC=C1B PI-30996 [0,1,0,0,0,0|3,0,0]=4 621 B9R1.69 CC1=CC(N)=NC=C1Cl PI-31795 [0,1,0,0,0,0|3,0,0]=4 622 B9R1.69 CC1=CC=C(F)C(Br)=N1 PI-40471 [0,1,0,0,0,0|1,0,0]=2 623 B9R1.69 CC1=CN=C(C(=N1)C)C PI-11726 [0,1,0,0,0,0|1,0,0]=2 624 B9R1.69 CC1=CN=C(Cl)C(C)=N1 PI-38217 [0,1,0,0,0,0|1,0,0]=2 625 B9R1.69 CC1=CN=C(N=C1Cl)Cl PI-21324 [0,1,0,0,0,0|3,0,0]=4 626 B9R1.69 CC1=CN=C(N=C1Cl)N PI-45074 [0,1,0,0,0,0|3,0,0]=4 627 B9R1.69 CC1=NC(=C(C=C1)Br)Cl PI-44133 [0,1,0,0,0,0|1,0,0]=2 628 B9R1.69 CC1=NC(=C(C=C1)Br)N PI-30104 [0,1,0,0,0,0|1,0,0]=2 629 B9R1.69 CC1=NC(=C(C=C1)I)F PI-34430 [0,1,0,0,0,0|1,0,0]=2 630 B9R1.69 CC1=NC(=C(C=C1)N)Br PI-27124 [0,1,0,0,0,0|1,0,0]=2 631 B9R1.69 CC1=NC(=C(C=C1)N)C PI-16694 [0,1,0,0,0,0|0,0,0]=1 632 B9R1.69 CC1=NC(=C(C=C1)N)C PI-33783 [0,1,0,0,0,0|0,0,0]=1 633 B9R1.69 CC1=NC(=C(C=C1)N)F PI-24368 [0,1,0,0,0,0|1,0,0]=2 634 B9R1.69 CC1=NC(=C(C=C1)O)C PI-21953 [0,1,0,0,0,0|0,0,0]=1 635 B9R1.69 CC1=NC(=NC=C1N)C PI-32946 [0,1,0,0,0,0|1,0,0]=2 636 B9R1.69 CC1=NC(=NC=C1N)Cl PI-45749 [0,1,0,0,0,0|2,0,0]=3 637 B9R1.69 CC1=NC(Cl)=NC=C1Br PI-46752 [0,1,0,0,0,0|2,0,0]=3 638 B9R1.69 CC1=NC(Cl)=NC=C1Cl PI-46723 [0,1,0,0,0,0|2,0,0]=3 639 B9R1.69 CC1=NC=C(C(=O)N1)I PI-47320 [0,1,0,0,0,0|2,0,1]=4 640 B9R1.69 Cc1ccc(Br)cc1F PI-31215 [0,1,0,0,0,0|3,0,0]=4 641 B9R1.69 Cc1ccc(I)c(N)c1 PI-13704 [0,1,0,0,0,0|2,0,0]=3 642 B9R1.69 Cc1ccc(N)c(Br)c1 PI-21582 [0,1,0,0,0,0|2,0,0]=3 643 B9R1.69 Cc1ccc(c(c1)Br)F PI-28541 [0,1,0,0,0,0|2,0,0]=3 644 B9R1.69 Cc1ccc(c(c1)C)Br PI-38906 [0,1,0,0,0,0|1,0,0]=2 645 B9R1.69 Cc1ccc(c(c1)F)Br PI-16987 [0,1,0,0,0,0|2,0,0]=3 646 B9R1.69 Cc1ccc(c(c1)F)N PI-16381 [0,1,0,0,0,0|2,0,0]=3 647 B9R1.69 Cc1ccc(c(c1)N)Br PI-32614 [0,1,0,0,0,0|2,0,0]=3 648 B9R1.69 Cc1ccc(c(c1)N)N PI-33398 [0,1,0,0,0,0|2,0,0]=3 649 B9R1.69 Cc1ccc(c(c1)O)O PI-11188 [0,1,0,0,0,0|2,0,0]=3 650 B9R1.69 Cc1ccc(c(n1)C)Br PI-14419 [0,1,0,0,0,0|0,0,0]=1 651 B9R1.69 Cc1ccc(c(n1)Cl)N PI-30570 [0,1,0,0,0,0|1,0,0]=2 652 B9R1.69 Cc1cnc(Br)c(F)c1 PI-34446 [0,1,0,0,0,0|3,0,0]=4 653 B9R1.69 Cc1cnc(C)c(Cl)n1 PI-29990 [0,1,0,0,0,0|2,0,0]=3 654 B9R1.69 Cc1cnc(c(c1)I)F PI-32874 [0,1,0,0,0,0|3,0,0]=4 655 B9R1.69 Cc1ncc(c(c1)C)N PI-38589 [0,1,0,0,0,0|2,0,0]=3 656 B9R1.69 ClC1=CC(=C(C=C1)F)O PI-10650 [0,1,0,0,0,0|3,0,0]=4 657 B9R1.69 ClC1=CC(I)=CC=C1Br PI-41927 [0,1,0,0,0,0|3,0,0]=4 658 B9R1.69 Clc1ccc(c(c1)Br)Cl PI-21593 [0,1,0,0,0,0|3,0,0]=4 659 B9R1.69 Clc1ccc(c(c1)Br)F PI-20628 [0,1,0,0,0,0|3,0,0]=4 660 B9R1.69 Clc1ccc(c(c1)Br)I PI-38902 [0,1,0,0,0,0|3,0,0]=4 661 B9R1.69 Clc1ccc(c(c1)Br)N PI-21370 [0,1,0,0,0,0|3,0,0]=4 662 B9R1.69 Clc1ccc(c(c1)C)Br PI-20669 [0,1,0,0,0,0|2,0,0]=3 663 B9R1.69 Clc1ccc(c(c1)C)C PI-11593 [0,1,0,0,0,0|2,0,0]=3 664 B9R1.69 Clc1ccc(c(c1)C)I PI-30351 [0,1,0,0,0,0|2,0,0]=3 665 B9R1.69 Clc1ccc(c(c1)F)Br PI-20626 [0,1,0,0,0,0|3,0,0]=4 666 B9R1.69 Clc1ccc(c(c1)F)F PI-12302 [0,1,0,0,0,0|3,0,0]=4 667 B9R1.69 Clc1ccc(c(c1)N)S PI-14245 [0,1,0,0,0,0|3,0,0]=4 668 B9R1.69 Clc1ccc(c(c1)O)O PI-11978 [0,1,0,0,0,0|3,0,0]=4 669 B9R1.69 Clc1ccc(c(n1)C)N PI-38623 [0,1,0,0,0,0|1,0,0]=2 670 B9R1.69 Clc1ccc(c(n1)Cl)F PI-36904 [0,1,0,0,0,0|2,0,0]=3 671 B9R1.69 Clc1ccc(c(n1)Cl)I PI-10338 [0,1,0,0,0,0|2,0,0]=3 672 B9R1.69 Clc1cnc(Br)c(C)c1 PI-35935 [0,1,0,0,0,0|3,0,0]=4 673 B9R1.69 Clc1cnc(c(n1)Cl)N PI-38202 [0,1,0,0,0,0|3,0,0]=4 674 B9R1.69 Clc1ncc(Br)c(Cl)n1 PI-14402 [0,1,0,0,0,0|3,0,0]=4 675 B9R1.69 Clc1ncc(I)c(Cl)n1 PI-21337 [0,1,0,0,0,0|3,0,0]=4 676 B9R1.69 Clc1ncc(N)c(Cl)n1 PI-36018 [0,1,0,0,0,0|3,0,0]=4 677 B9R1.69 Clc1ncc(N)c(N)n1 PI-36496 [0,1,0,0,0,0|3,0,0]=4 678 B9R1.69 Clc1ncc(c(c1)C)Br PI-38910 [0,1,0,0,0,0|3,0,0]=4 679 B9R1.69 Clc1ncc(c(n1)Cl)Cl PI-15248 [0,1,0,0,0,0|3,0,0]=4 680 B9R1.69 Fc1ccc(C)c(S)c1 PI-23790 [0,1,0,0,0,0|3,0,0]=4 681 B9R1.69 Fc1ccc(I)c(Br)c1 PI-14445 [0,1,0,0,0,0|3,0,0]=4 682 B9R1.69 Fc1ccc(N)c(F)c1 PI-15215 [0,1,0,0,0,0|3,0,0]=4 683 B9R1.69 Fc1ccc(S)c(C)c1 PI-23788 [0,1,0,0,0,0|2,0,0]=3 684 B9R1.69 Fc1ccc(c(c1)Br)C PI-16886 [0,1,0,0,0,0|3,0,0]=4 685 B9R1.69 Fc1ccc(c(c1)Br)O PI-21470 [0,1,0,0,0,0|3,0,0]=4 686 B9R1.69 Fc1ccc(c(c1)Cl)F PI-28303 [0,1,0,0,0,0|3,0,0]=4 687 B9R1.69 Fc1ccc(c(c1)Cl)S PI-20117 [0,1,0,0,0,0|3,0,0]=4 688 B9R1.69 Fc1ccc(c(c1)F)Br PI-32222 [0,1,0,0,0,0|3,0,0]=4 689 B9R1.69 Fc1ccc(c(c1)F)F PI-10729 [0,1,0,0,0,0|3,0,0]=4 690 B9R1.69 Fc1ccc(c(c1)F)S PI-16902 [0,1,0,0,0,0|3,0,0]=4 691 B9R1.69 Fc1ccc(c(c1)N)Br PI-10617 [0,1,0,0,0,0|3,0,0]=4 692 B9R1.69 Fc1ccc(c(c1)N)F PI-16941 [0,1,0,0,0,0|3,0,0]=4 693 B9R1.69 Fc1ccc(c(c1)N)O PI-15926 [0,1,0,0,0,0|3,0,0]=4 694 B9R1.69 Fc1ccc(c(c1)O)Br PI-31067 [0,1,0,0,0,0|3,0,0]=4 695 B9R1.69 Fc1ccc(c(c1)O)C PI-10656 [0,1,0,0,0,0|3,0,0]=4 696 B9R1.69 Fc1ccc(c(c1)O)Cl PI-10649 [0,1,0,0,0,0|3,0,0]=4 697 B9R1.69 Fc1ccc(c(c1)O)F PI-16913 [0,1,0,0,0,0|3,0,0]=4 698 B9R1.69 Fc1ccc(c(c1)O)O PI-16942 [0,1,0,0,0,0|3,0,0]=4 699 B9R1.69 Fc1cnc(c(c1)C)Br PI-34447 [0,1,0,0,0,0|3,0,0]=4 700 B9R1.69 Fc1ncc(c(c1)C)Br PI-38328 [0,1,0,0,0,0|3,0,0]=4 701 B9R1.69 IC1=CC(O)=C(Cl)C=C1 PI-46497 [0,1,0,0,0,0|3,0,0]=4 702 B9R1.69 IC1=CC=C(Br)C(Br)=C1 PI-41928 [0,1,0,0,0,0|3,0,0]=4 703 B9R1.69 IC1=CC=C(Br)C=C1F PI-21451 [0,1,0,0,0,0|3,0,0]=4 704 B9R1.69 IC1=CC=C(F)C=C1F PI-28291 [0,1,0,0,0,0|3,0,0]=4 705 B9R1.69 Ic1ccc(Br)c(C)c1 PI-21531 [0,1,0,0,0,0|2,0,0]=3 706 B9R1.69 Ic1ccc(F)c(Br)c1 PI-21453 [0,1,0,0,0,0|3,0,0]=4 707 B9R1.69 Ic1ccc(c(c1)F)Br PI-14443 [0,1,0,0,0,0|3,0,0]=4 708 B9R1.69 Ic1cnc(c(n1)Cl)N PI-39428 [0,1,0,0,0,0|3,0,0]=4 709 B9R1.69 NC1=C(Cl)C=C(O)C=C1 PI-39809 [0,1,0,0,0,0|3,0,0]=4 710 B9R1.69 NC1=CC(Br)=CC=C1Cl PI-20602 [0,1,0,0,0,0|3,0,0]=4 711 B9R1.69 NC1=CC=C(Br)C=C1I PI-39519 [0,1,0,0,0,0|3,0,0]=4 712 B9R1.69 NC1=CC=C(Cl)C(N)=C1 PI-11322 [0,1,0,0,0,0|3,0,0]=4 713 B9R1.69 NC1=NC(Br)=C(C)C=C1 PI-39854 [0,1,0,0,0,0|2,0,0]=3 714 B9R1.69 NC1=NC(N)=CC=C1Br PI-46757 [0,1,0,0,0,0|2,0,0]=3 715 B9R1.69 NC1=NC=C(N=C1Br)Cl PI-41714 [0,1,0,0,0,0|3,0,0]=4 716 B9R1.69 Nc1ccc(Br)c(C)c1 PI-21584 [0,1,0,0,0,0|2,0,0]=3 717 B9R1.69 Nc1ccc(C)c(O)c1 PI-11313 [0,1,0,0,0,0|3,0,0]=4 718 B9R1.69 Nc1ccc(F)c(C)n1 PI-34452 [0,1,0,0,0,0|1,0,0]=2 719 B9R1.69 Nc1ccc(O)c(Cl)c1 PI-11818 [0,1,0,0,0,0|3,0,0]=4 720 B9R1.69 Nc1ccc(O)c(F)c1 PI-28497 [0,1,0,0,0,0|3,0,0]=4 721 B9R1.69 Nc1ccc(c(c1)Br)F PI-12304 [0,1,0,0,0,0|3,0,0]=4 722 B9R1.69 Nc1ccc(c(c1)C)N PI-19993 [0,1,0,0,0,0|2,0,0]=3 723 B9R1.69 Nc1ccc(c(c1)Cl)Br PI-20601 [0,1,0,0,0,0|3,0,0]=4 724 B9R1.69 Nc1ccc(c(c1)Cl)I PI-30125 [0,1,0,0,0,0|3,0,0]=4 725 B9R1.69 Nc1ccc(c(c1)Cl)N PI-38011 [0,1,0,0,0,0|3,0,0]=4 726 B9R1.69 Nc1ccc(c(c1)Cl)N PI-38070 [0,1,0,0,0,0|3,0,0]=4 727 B9R1.69 Nc1ccc(c(c1)F)Br PI-10618 [0,1,0,0,0,0|3,0,0]=4 728 B9R1.69 Nc1ccc(c(c1)F)I PI-10620 [0,1,0,0,0,0|3,0,0]=4 729 B9R1.69 Nc1nc(=O)[nH]cc1Br PI-16324 [0,1,0,0,0,0|3,0,0]=4 730 B9R1.69 Nc1nc(=O)[nH]cc1F PI-10154 [0,1,0,0,0,0|3,0,0]=4 731 B9R1.69 O=C1C=CC(N)=CN1C PI-46613 [0,1,0,0,0,0|3,0,0]=4 732 B9R1.69 OC1=CC(Cl)=CC=C1I PI-40949 [0,1,0,0,0,0|3,0,0]=4 733 B9R1.69 OC1=CC=C(Br)C=C1O PI-37116 [0,1,0,0,0,0|3,0,0]=4 734 B9R1.69 OC1=CC=C(C)C=C1Br PI-14476 [0,1,0,0,0,0|2,0,0]=3 735 B9R1.69 OC1=CC=C(N)C(Cl)=C1 PI-42395 [0,1,0,0,0,0|3,0,0]=4 736 B9R1.69 OC1=CC=C(N)C=C1N PI-32464 [0,1,0,0,0,0|3,0,0]=4 737 B9R1.69 OC1=NC=C(Br)N=C1Br PI-38253 [0,1,0,0,0,0|3,0,0]=4 738 B9R1.69 Oc1cc(Cl)ccc1Cl PI-34659 [0,1,0,0,0,0|3,0,0]=4 739 B9R1.69 Oc1ccc(Br)c(F)c1 PI-10426 [0,1,0,0,0,0|3,0,0]=4 740 B9R1.69 Oc1ccc(Br)c(O)c1 PI-28737 [0,1,0,0,0,0|3,0,0]=4 741 B9R1.69 Oc1ccc(C)c(C)c1 PI-34164 [0,1,0,0,0,0|2,0,0]=3 742 B9R1.69 Oc1ccc(C)c(F)c1 PI-10654 [0,1,0,0,0,0|3,0,0]=4 743 B9R1.69 Oc1ccc(F)c(N)c1 PI-33926 [0,1,0,0,0,0|3,0,0]=4 744 B9R1.69 Oc1ccc(c(c1)Br)Cl PI-39217 [0,1,0,0,0,0|3,0,0]=4 745 B9R1.69 Oc1ccc(c(c1)Br)F PI-10647 [0,1,0,0,0,0|3,0,0]=4 746 B9R1.69 Oc1ccc(c(c1)C)Br PI-14477 [0,1,0,0,0,0|2,0,0]=3 747 B9R1.69 Oc1ccc(c(c1)F)F PI-16914 [0,1,0,0,0,0|3,0,0]=4 748 B9R1.69 Oc1ccc(c(c1)O)C PI-19649 [0,1,0,0,0,0|3,0,0]=4 749 B9R1.69 Oc1ccc(c(c1)O)F PI-10442 [0,1,0,0,0,0|3,0,0]=4 750 B9R1.69 Oc1ccc(c(c1)O)O PI-31220 [0,1,0,0,0,0|3,0,0]=4 751 B9R1.69 Sc1ccc(C)c(F)c1 PI-23787 [0,1,0,0,0,0|3,0,0]=4 752 B9R1.69 Sc1ccc(c(c1)C)O PI-18459 [0,1,0,0,0,0|2,0,0]=3 753 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [0,0,1,0,0,0|2,0,0]=3 754 B7R0.7 CC=CC(=O)OC=C PI-13581 [0,0,1,0,0,0|3,0,0]=4 755 B7R1.2 Brc1c[nH]c(n1)C PI-14475 [0,0,0,0,1,0|2,0,0]=3 756 B7R1.2 Brc1ccc(Br)o1 PI-17239 [0,0,0,0,1,0|3,0,0]=4 757 B7R1.2 C1=C(Br)SC(=C1)Br PI-11156 [0,0,0,0,1,0|3,0,0]=4 758 B7R1.2 C1=C(N=C(Br)S1)Br PI-12155 [0,0,0,0,1,0|3,0,0]=4 759 B7R1.2 C1=C(N=C(S1)Br)Cl PI-40882 [0,0,0,0,1,0|3,0,0]=4 760 B7R1.2 C1=C(N=C(S1)Br)N PI-41000 [0,0,0,0,1,0|3,0,0]=4 761 B7R1.2 C1=C(N=C(S1)N)O PI-45401 [0,0,0,0,1,0|3,0,0]=4 762 B7R1.2 C1=C(SC(=C1)Br)Cl PI-20666 [0,0,0,0,1,0|3,0,0]=4 763 B7R1.2 C1=C(SC(=C1)Br)N PI-45449 [0,0,0,0,1,0|3,0,0]=4 764 B7R1.2 C1=C(SC(=C1)Cl)Cl PI-11157 [0,0,0,0,1,0|3,0,0]=4 765 B7R1.2 C1=C(SC(=C1)I)I PI-21280 [0,0,0,0,1,0|3,0,0]=4 766 B7R1.2 CC1=CC(=CS1)Br PI-22178 [0,0,0,0,1,0|3,0,0]=4 767 B7R1.2 CC1=CC(=NO1)C PI-11253 [0,0,0,0,1,0|3,0,0]=4 768 B7R1.2 CC1=CC=C(O1)C PI-44542 [0,0,0,0,1,0|1,0,0]=2 769 B7R1.2 CC1=CC=C(S1)Br PI-11164 [0,0,0,0,1,0|2,0,0]=3 770 B7R1.2 CC1=CC=C(S1)C PI-11158 [0,0,0,0,1,0|1,0,0]=2 771 B7R1.2 CC1=CN=C(S1)Br PI-45050 [0,0,0,0,1,0|3,0,0]=4 772 B7R1.2 CC1=CN=C(S1)C PI-11134 [0,0,0,0,1,0|2,0,0]=3 773 B7R1.2 CC1=CN=C(S1)Cl PI-11122 [0,0,0,0,1,0|3,0,0]=4 774 B7R1.2 CC1=CNC(=O)N1 PI-31820 [0,0,0,0,1,0|2,0,1]=4 775 B7R1.2 CC1=CSC(=N1)Br PI-40542 [0,0,0,0,1,0|2,0,0]=3 776 B7R1.2 CC1=CSC(=N1)C PI-11115 [0,0,0,0,1,0|1,0,0]=2 777 B7R1.2 CC1=CSC(=S)N1 PI-30630 [0,0,0,0,1,0|2,0,1]=4 778 B7R1.2 CC1=CSC(Cl)=N1 PI-40543 [0,0,0,0,1,0|2,0,0]=3 779 B7R1.2 CC1=NC(=S)NN1 PI-49044 [0,0,0,0,1,0|3,0,0]=4 780 B7R1.2 CC1=NC=C(N1)I PI-45234 [0,0,0,0,1,0|2,0,1]=4 781 B7R1.2 CC1=NC=C(S1)Br PI-44984 [0,0,0,0,1,0|3,0,0]=4 782 B7R1.2 CC1=NN=C(C)N1 PI-41438 [0,0,0,0,1,0|2,0,1]=4 783 B7R1.2 CC1=NSC(=N1)Cl PI-31536 [0,0,0,0,1,0|3,0,0]=4 784 B7R1.2 CC1=NSC(=N1)N PI-13650 [0,0,0,0,1,0|3,0,0]=4 785 B7R1.2 Cc1[nH]cc(c1)C PI-10987 [0,0,0,0,1,0|2,0,0]=3 786 B7R1.2 Cc1[nH]cc(n1)C PI-31821 [0,0,0,0,1,0|1,0,0]=2 787 B7R1.2 Cc1[nH]nc(C)c1 PI-31342 [0,0,0,0,1,0|3,0,0]=4 788 B7R1.2 Cc1ccc(s1)Cl PI-29205 [0,0,0,0,1,0|2,0,0]=3 789 B7R1.2 Cc1ccn(n1)C PI-37587 [0,0,0,0,1,0|1,0,0]=2 790 B7R1.2 Cc1cnc(s1)N PI-31294 [0,0,0,0,1,0|3,0,0]=4 791 B7R1.2 Cc1csc(n1)N PI-31078 [0,0,0,0,1,0|2,0,0]=3 792 B7R1.2 Cc1scc(c1)C PI-29816 [0,0,0,0,1,0|2,0,0]=3 793 B7R1.2 Cn1cc[n+](c1)C PI-38784 [0,0,0,0,1,0|3,0,0]=4 794 B7R1.2 Cn1ccc(I)n1 PI-37412 [0,0,0,0,1,0|2,0,0]=3 795 B7R1.2 Cn1ccc(n1)Br PI-38258 [0,0,0,0,1,0|2,0,0]=3 796 B7R1.2 Cn1ccc(n1)N PI-38170 [0,0,0,0,1,0|2,0,0]=3 797 B7R1.2 NC1=NC=C(C)N1 PI-40524 [0,0,0,0,1,0|2,0,1]=4 798 B7R1.2 O=C1C=CC(=O)N1 PI-29681 [0,0,0,0,1,0|2,0,1]=4 799 B7R1.4 Brc1cocc1Br PI-19445 [0,0,0,0,1,0|3,0,0]=4 800 B7R1.4 Brc1cscc1Br PI-10758 [0,0,0,0,1,0|3,0,0]=4 801 B7R1.4 Brc1cscc1C PI-39112 [0,0,0,0,1,0|2,0,0]=3 802 B7R1.4 Brc1sccc1Br PI-11154 [0,0,0,0,1,0|3,0,0]=4 803 B7R1.4 C1=C(C(=CN1)F)F PI-49257 [0,0,0,0,1,0|3,0,0]=4 804 B7R1.4 C1=C(C(=CS1)F)F PI-49324 [0,0,0,0,1,0|3,0,0]=4 805 B7R1.4 C1=C(C(=CS1)N)N PI-45454 [0,0,0,0,1,0|3,0,0]=4 806 B7R1.4 C1=COC(=C1Br)Br PI-17204 [0,0,0,0,1,0|3,0,0]=4 807 B7R1.4 C1=CSC(=C1Br)Cl PI-11159 [0,0,0,0,1,0|3,0,0]=4 808 B7R1.4 CC1=C(Br)NC=N1 PI-39631 [0,0,0,0,1,0|3,0,0]=4 809 B7R1.4 CC1=C(OC=N1)C PI-35004 [0,0,0,0,1,0|2,0,0]=3 810 B7R1.4 CC1=C(SC=C1)Cl PI-10992 [0,0,0,0,1,0|2,0,0]=3 811 B7R1.4 CC1=C(SC=N1)Br PI-50077 [0,0,0,0,1,0|3,0,0]=4 812 B7R1.4 CC1=C(SC=N1)C PI-11140 [0,0,0,0,1,0|2,0,0]=3 813 B7R1.4 CC1=CCOC1=O PI-46986 [0,0,0,0,1,0|2,0,1]=4 814 B7R1.4 CC1=CNN=C1C PI-41141 [0,0,0,0,1,0|2,0,0]=3 815 B7R1.4 CC1=CSC=C1C PI-35053 [0,0,0,0,1,0|1,0,0]=2 816 B7R1.4 CC1=NC=CN1C PI-31811 [0,0,0,0,1,0|2,0,0]=3 817 B7R1.4 CC1=NNC=C1Br PI-13601 [0,0,0,0,1,0|3,0,0]=4 818 B7R1.4 CC1=NNC=C1I PI-33035 [0,0,0,0,1,0|3,0,0]=4 819 B7R1.4 CN1C=CN=C1Cl PI-20160 [0,0,0,0,1,0|3,0,0]=4 820 B7R1.4 CN1C=CNC1=S PI-18739 [0,0,0,0,1,0|3,0,0]=4 821 B7R1.4 CN1C=NC=C1Cl PI-11701 [0,0,0,0,1,0|3,0,0]=4 822 B7R1.4 CN1C=NC=C1Cl PI-12996 [0,0,0,0,1,0|3,0,0]=4 823 B7R1.4 CN1C=NC=C1I PI-25811 [0,0,0,0,1,0|3,0,0]=4 824 B7R1.4 Cc1ccsc1Br PI-10990 [0,0,0,0,1,0|2,0,0]=3 825 B7R1.4 Clc1sccc1Cl PI-26200 [0,0,0,0,1,0|3,0,0]=4 826 B7R1.4 Cn1ccnc1Br PI-14474 [0,0,0,0,1,0|3,0,0]=4 827 B7R1.4 Cn1nccc1C PI-37575 [0,0,0,0,1,0|2,0,0]=3 828 B7R1.4 Cn1nccc1N PI-28081 [0,0,0,0,1,0|3,0,0]=4 829 B7R1.4 Cn1nccc1O PI-37212 [0,0,0,0,1,0|3,0,0]=4 830 B7R1.4 Cn1sccc1=O PI-11861 [0,0,0,0,1,0|3,0,0]=4 831 B7R1.4 Oc1cscc1O PI-33661 [0,0,0,0,1,0|3,0,0]=4 832 B7R1.4 SC1=C(C)OC=C1 PI-14227 [0,0,0,0,1,0|2,0,0]=3 833 B6R0.6 CC=CC=CCO PI-24146 [1,0,1,0,0,0|1,0,1]=4 834 B6R1.1 C1=CN=CC=N1 PI-14237 [2,0,0,0,0,0|1,0,0]=3 835 B6R1.1 [c-]1ncccn1 PI-40989 [2,0,0,0,0,0|1,0,1]=4 836 B6R1.1 c1[c-]cccc1 PI-15765 [2,0,0,0,0,0|1,0,0]=3 837 B6R1.1 c1[c-]cccc1 PI-24613 [2,0,0,0,0,0|1,0,0]=3 838 B6R1.1 c1cccn[c-]1 PI-24182 [2,0,0,0,0,0|0,0,1]=3 839 B6R1.1 c1cccnc1 PI-14207 [2,0,0,0,0,0|0,0,0]=2 840 B6R1.1 c1ccncn1 PI-11036 [2,0,0,0,0,0|1,0,0]=3 841 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [0,1,1,0,0,0|1,0,0]=3 842 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [1,1,0,0,0,0|1,0,0]=3 843 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [1,1,0,0,0,0|1,0,1]=4 844 B8R1.2 C#CC1=NC=CC=C1 PI-37137 [1,1,0,0,0,0|0,0,1]=3 845 B8R1.2 C1=C(N=CC=N1)CN PI-42651 [1,1,0,0,0,0|1,0,0]=3 846 B8R1.2 C1=CC(=CN=C1)CCl PI-16717 [1,1,0,0,0,0|2,0,0]=4 847 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [1,1,0,0,0,0|1,0,0]=3 848 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [1,1,0,0,0,0|1,0,0]=3 849 B8R1.2 C1=CN=C(C=N1)NN PI-48275 [1,1,0,0,0,0|2,0,0]=4 850 B8R1.2 C1=CN=C(N=C1)C#N PI-15315 [1,1,0,0,0,0|1,0,1]=4 851 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [1,1,0,0,0,0|1,0,1]=4 852 B8R1.2 C1=CN=C(N=C1)CO PI-35153 [1,1,0,0,0,0|1,0,0]=3 853 B8R1.2 C1=CN=CC=C1CCl PI-31734 [1,1,0,0,0,0|2,0,0]=4 854 B8R1.2 C1=CN=CC=C1CO PI-16744 [1,1,0,0,0,0|2,0,0]=4 855 B8R1.2 C1=CN=CN=C1C=O PI-34868 [1,1,0,0,0,0|1,0,1]=4 856 B8R1.2 C1=CN=CN=C1CO PI-35498 [1,1,0,0,0,0|1,0,0]=3 857 B8R1.2 CCC1=CC=CC=N1 PI-49466 [1,1,0,0,0,0|0,0,0]=2 858 B8R1.2 CCC1=NC=CN=C1 PI-11040 [1,1,0,0,0,0|1,0,0]=3 859 B8R1.2 CC[N+]1=CC=CC=C1 PI-13342 [1,1,0,0,0,0|2,0,0]=4 860 B8R1.2 CC[N+]1=CC=CC=C1 PI-13347 [1,1,0,0,0,0|2,0,0]=4 861 B8R1.2 CNC1=CC=CC=N1 PI-11864 [1,1,0,0,0,0|0,0,0]=2 862 B8R1.2 CNC1=CC=NC=C1 PI-23603 [1,1,0,0,0,0|2,0,0]=4 863 B8R1.2 CNC1=CN=CC=C1 PI-11328 [1,1,0,0,0,0|2,0,0]=4 864 B8R1.2 COC1=CC=CC=N1 PI-33887 [1,1,0,0,0,0|0,0,0]=2 865 B8R1.2 COC1=CC=NC=C1 PI-10034 [1,1,0,0,0,0|2,0,0]=4 866 B8R1.2 COC1=CN=CC=C1 PI-33889 [1,1,0,0,0,0|2,0,0]=4 867 B8R1.2 COC1=NC=CN=C1 PI-11859 [1,1,0,0,0,0|1,0,0]=3 868 B8R1.2 CSC1=CC=CC=N1 PI-16757 [1,1,0,0,0,0|0,0,0]=2 869 B8R1.2 CSC1=NC=CN=C1 PI-11048 [1,1,0,0,0,0|1,0,0]=3 870 B8R1.2 CSC1=NN=CC=N1 PI-37184 [1,1,0,0,0,0|2,0,0]=4 871 B8R1.2 ClCC1=CN=CC=N1 PI-39634 [1,1,0,0,0,0|1,0,0]=3 872 B8R1.2 ClCC1=NC=CC=C1 PI-11827 [1,1,0,0,0,0|0,0,0]=2 873 B8R1.2 ClCc1ccccn1 PI-16716 [1,1,0,0,0,0|0,0,0]=2 874 B8R1.2 ClCc1ncccn1 PI-35014 [1,1,0,0,0,0|1,0,0]=3 875 B8R1.2 ClCc1ncccn1 PI-40553 [1,1,0,0,0,0|1,0,0]=3 876 B8R1.2 NCC1=CC=CC=C1 PI-37209 [1,1,0,0,0,0|1,0,0]=3 877 B8R1.2 NCC1=CC=NC=C1 PI-41875 [1,1,0,0,0,0|2,0,0]=4 878 B8R1.2 NCc1ccccn1 PI-33905 [1,1,0,0,0,0|0,0,0]=2 879 B8R1.2 NCc1cccnc1 PI-15236 [1,1,0,0,0,0|2,0,0]=4 880 B8R1.2 NCc1ccncc1 PI-31790 [1,1,0,0,0,0|2,0,0]=4 881 B8R1.2 NCc1ncccn1 PI-34855 [1,1,0,0,0,0|1,0,0]=3 882 B8R1.2 NCc1ncccn1 PI-34856 [1,1,0,0,0,0|1,0,0]=3 883 B8R1.2 NNC1=CC=CC=C1 PI-41551 [1,1,0,0,0,0|2,0,0]=4 884 B8R1.2 O=Cc1ccccn1 PI-33895 [1,1,0,0,0,0|0,0,1]=3 885 B8R1.2 OCC1=CC=CN=C1 PI-11019 [1,1,0,0,0,0|2,0,0]=4 886 B8R1.2 OCC1=NC=CC=C1 PI-16261 [1,1,0,0,0,0|0,0,0]=2 887 B8R1.2 OCc1ccncc1 PI-16686 [1,1,0,0,0,0|2,0,0]=4 888 B8R1.2 ONc1ccccc1 PI-38448 [1,1,0,0,0,0|2,0,0]=4 889 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [1,1,0,0,0,0|1,0,1]=4 890 B8R1.2 c1nccnc1C#N PI-11837 [1,1,0,0,0,0|1,0,1]=4 891 B8R1.3 Brc1ccc(C)cn1 PI-10149 [1,1,0,0,0,0|1,0,0]=3 892 B8R1.3 Brc1ccc(I)cc1 PI-21525 [1,1,0,0,0,0|2,0,0]=4 893 B8R1.3 Brc1ccc(cn1)F PI-23448 [1,1,0,0,0,0|1,0,0]=3 894 B8R1.3 Brc1ccc(cn1)N PI-31056 [1,1,0,0,0,0|1,0,0]=3 895 B8R1.3 Brc1cnc(Cl)nc1 PI-20664 [1,1,0,0,0,0|2,0,0]=4 896 B8R1.3 Brc1cnc(nc1)I PI-24188 [1,1,0,0,0,0|2,0,0]=4 897 B8R1.3 Brc1cnc(nc1)N PI-31304 [1,1,0,0,0,0|2,0,0]=4 898 B8R1.3 C1=C(C=NC(=N1)Cl)Cl PI-32939 [1,1,0,0,0,0|2,0,0]=4 899 B8R1.3 C1=C(C=NC(=N1)Cl)I PI-39116 [1,1,0,0,0,0|2,0,0]=4 900 B8R1.3 C1=C(C=NC(=N1)Cl)O PI-40987 [1,1,0,0,0,0|2,0,0]=4 901 B8R1.3 C1=C(C=NC(=N1)F)I PI-45099 [1,1,0,0,0,0|2,0,0]=4 902 B8R1.3 C1=C(C=NC(=N1)N)Cl PI-30697 [1,1,0,0,0,0|2,0,0]=4 903 B8R1.3 C1=C(C=NC(=N1)N)F PI-43297 [1,1,0,0,0,0|2,0,0]=4 904 B8R1.3 C1=C(C=NC(=N1)N)I PI-21304 [1,1,0,0,0,0|2,0,0]=4 905 B8R1.3 C1=C(C=NC(=N1)N)N PI-34826 [1,1,0,0,0,0|2,0,0]=4 906 B8R1.3 C1=C(C=NC(=O)N1)Br PI-31176 [1,1,0,0,0,0|2,0,0]=4 907 B8R1.3 C1=C(C=NC(=O)N1)I PI-32628 [1,1,0,0,0,0|2,0,0]=4 908 B8R1.3 C1=C(I)C=CC(=N1)Br PI-38918 [1,1,0,0,0,0|1,0,0]=3 909 B8R1.3 C1=C(N=CC(=N1)Br)Br PI-45094 [1,1,0,0,0,0|2,0,0]=4 910 B8R1.3 C1=C(N=CC(=N1)Br)N PI-45009 [1,1,0,0,0,0|2,0,0]=4 911 B8R1.3 C1=C(N=CC(=N1)Cl)Cl PI-43294 [1,1,0,0,0,0|2,0,0]=4 912 B8R1.3 C1=C(N=CC(=N1)Cl)N PI-44940 [1,1,0,0,0,0|2,0,0]=4 913 B8R1.3 C1=C(N=CC(=O)N1)Cl PI-45666 [1,1,0,0,0,0|2,0,0]=4 914 B8R1.3 C1=CC(=CC=C1Cl)Br PI-48678 [1,1,0,0,0,0|2,0,0]=4 915 B8R1.3 C1=CC(=CC=C1Cl)I PI-20137 [1,1,0,0,0,0|2,0,0]=4 916 B8R1.3 C1=CC(=CC=C1F)S PI-17595 [1,1,0,0,0,0|2,0,0]=4 917 B8R1.3 C1=CC(=CC=C1F)[S-] PI-28110 [1,1,0,0,0,0|2,0,0]=4 918 B8R1.3 C1=CC(=CC=C1N)S PI-14246 [1,1,0,0,0,0|2,0,0]=4 919 B8R1.3 C1=CC(=CC=C1S)Br PI-21352 [1,1,0,0,0,0|2,0,0]=4 920 B8R1.3 C1=CC(=NC=C1Br)F PI-23450 [1,1,0,0,0,0|1,0,0]=3 921 B8R1.3 C1=CC(=NC=C1Br)I PI-22827 [1,1,0,0,0,0|1,0,0]=3 922 B8R1.3 C1=CC(=NC=C1Cl)Br PI-10389 [1,1,0,0,0,0|1,0,0]=3 923 B8R1.3 C1=CC(=NC=C1Cl)F PI-16762 [1,1,0,0,0,0|1,0,0]=3 924 B8R1.3 C1=CC(=NC=C1Cl)I PI-34652 [1,1,0,0,0,0|1,0,0]=3 925 B8R1.3 C1=CC(=NC=C1F)Cl PI-10085 [1,1,0,0,0,0|1,0,0]=3 926 B8R1.3 C1=CC(=NC=C1F)N PI-23434 [1,1,0,0,0,0|1,0,0]=3 927 B8R1.3 C1=CC(=NC=C1I)Cl PI-20140 [1,1,0,0,0,0|1,0,0]=3 928 B8R1.3 C1=CC(=NC=C1I)F PI-16769 [1,1,0,0,0,0|1,0,0]=3 929 B8R1.3 C1=CC(=NC=C1N)N PI-33879 [1,1,0,0,0,0|1,0,0]=3 930 B8R1.3 C1=CC(=NC=C1O)Cl PI-10086 [1,1,0,0,0,0|1,0,0]=3 931 B8R1.3 C1=CC(=NC=C1O)I PI-34186 [1,1,0,0,0,0|1,0,0]=3 932 B8R1.3 C1=CC(=NC=C1O)N PI-34189 [1,1,0,0,0,0|1,0,0]=3 933 B8R1.3 C1=CC(=NN=C1Cl)I PI-40021 [1,1,0,0,0,0|2,0,0]=4 934 B8R1.3 C1=CC(=NN=C1N)Cl PI-30704 [1,1,0,0,0,0|2,0,0]=4 935 B8R1.3 C1=CC(=NNC1=O)Cl PI-48747 [1,1,0,0,0,0|2,0,0]=4 936 B8R1.3 CC1=CN=C(C=C1)F PI-34372 [1,1,0,0,0,0|1,0,0]=3 937 B8R1.3 CC1=CN=C(C=N1)C PI-29099 [1,1,0,0,0,0|1,0,0]=3 938 B8R1.3 CC1=CN=C(C=N1)N PI-48187 [1,1,0,0,0,0|1,0,0]=3 939 B8R1.3 CC1=CNC(=O)C=C1 PI-15774 [1,1,0,0,0,0|1,0,1]=4 940 B8R1.3 CC1=NC=C(C=C1)F PI-16773 [1,1,0,0,0,0|0,0,0]=2 941 B8R1.3 CC1=NC=C(C=C1)O PI-11928 [1,1,0,0,0,0|0,0,0]=2 942 B8R1.3 CC1=NC=C(C=N1)Br PI-35175 [1,1,0,0,0,0|1,0,0]=3 943 B8R1.3 CC1=NC=C(C=N1)F PI-45025 [1,1,0,0,0,0|1,0,0]=3 944 B8R1.3 CC1=NC=C(C=N1)N PI-32948 [1,1,0,0,0,0|1,0,0]=3 945 B8R1.3 CC1=NC=C(C=N1)O PI-42081 [1,1,0,0,0,0|1,0,0]=3 946 B8R1.3 CC1=NN=C(C=C1)N PI-44739 [1,1,0,0,0,0|1,0,0]=3 947 B8R1.3 CC1=NNC(=O)C=C1 PI-44765 [1,1,0,0,0,0|1,0,0]=3 948 B8R1.3 Cc1ccc(Cl)cn1 PI-36942 [1,1,0,0,0,0|0,0,0]=2 949 B8R1.3 Cc1ccc(Cl)nn1 PI-30064 [1,1,0,0,0,0|1,0,0]=3 950 B8R1.3 Cc1ccc(F)cc1 PI-34120 [1,1,0,0,0,0|1,0,0]=3 951 B8R1.3 Cc1ccc(I)cc1 PI-13709 [1,1,0,0,0,0|1,0,0]=3 952 B8R1.3 Cc1ccc(cn1)Br PI-23479 [1,1,0,0,0,0|0,0,0]=2 953 B8R1.3 Cc1ccc(cn1)N PI-13104 [1,1,0,0,0,0|0,0,0]=2 954 B8R1.3 Cc1ncc(nc1)Br PI-36981 [1,1,0,0,0,0|1,0,0]=3 955 B8R1.3 ClC1=NN=C(Cl)C=C1 PI-16281 [1,1,0,0,0,0|2,0,0]=4 956 B8R1.3 Clc1ccc(Br)cn1 PI-31223 [1,1,0,0,0,0|1,0,0]=3 957 B8R1.3 Clc1ccc(Cl)nc1 PI-10179 [1,1,0,0,0,0|1,0,0]=3 958 B8R1.3 Clc1ccc(cn1)C PI-16696 [1,1,0,0,0,0|1,0,0]=3 959 B8R1.3 Clc1ccc(cn1)N PI-10026 [1,1,0,0,0,0|1,0,0]=3 960 B8R1.3 Clc1cnc(O)nc1 PI-21321 [1,1,0,0,0,0|2,0,0]=4 961 B8R1.3 Clc1cnc(nc1)I PI-38331 [1,1,0,0,0,0|2,0,0]=4 962 B8R1.3 Clc1ncc(nc1)Br PI-39468 [1,1,0,0,0,0|2,0,0]=4 963 B8R1.3 FC1=CC=C(Br)C=C1 PI-33066 [1,1,0,0,0,0|2,0,0]=4 964 B8R1.3 FC1=NC=C(C=C1)O PI-40204 [1,1,0,0,0,0|1,0,0]=3 965 B8R1.3 Fc1ccc(I)cc1 PI-15769 [1,1,0,0,0,0|2,0,0]=4 966 B8R1.3 Fc1ccc(N)cn1 PI-10292 [1,1,0,0,0,0|1,0,0]=3 967 B8R1.3 Fc1ccc(cc1)F PI-11683 [1,1,0,0,0,0|2,0,0]=4 968 B8R1.3 Fc1ccc(cn1)F PI-35922 [1,1,0,0,0,0|1,0,0]=3 969 B8R1.3 Fc1cnc(Cl)nc1 PI-21320 [1,1,0,0,0,0|2,0,0]=4 970 B8R1.3 Ic1ccc(cc1)I PI-10976 [1,1,0,0,0,0|2,0,0]=4 971 B8R1.3 Ic1ccc(cn1)I PI-32190 [1,1,0,0,0,0|1,0,0]=3 972 B8R1.3 NC1=CN=C(N)C=C1 PI-16689 [1,1,0,0,0,0|1,0,0]=3 973 B8R1.3 Nc1ccc(O)cc1 PI-34110 [1,1,0,0,0,0|2,0,0]=4 974 B8R1.3 Nc1ccc(cc1)F PI-33065 [1,1,0,0,0,0|2,0,0]=4 975 B8R1.3 Nc1ccc(cc1)I PI-25653 [1,1,0,0,0,0|2,0,0]=4 976 B8R1.3 Nc1ccc(cn1)Br PI-22846 [1,1,0,0,0,0|1,0,0]=3 977 B8R1.3 Nc1ccc(cn1)C PI-25208 [1,1,0,0,0,0|1,0,0]=3 978 B8R1.3 Nc1ccc(cn1)Cl PI-31015 [1,1,0,0,0,0|1,0,0]=3 979 B8R1.3 Nc1ccc(cn1)I PI-10252 [1,1,0,0,0,0|1,0,0]=3 980 B8R1.3 Nc1cnc(nc1)Cl PI-21313 [1,1,0,0,0,0|2,0,0]=4 981 B8R1.3 OC1=CN=C(Br)C=C1 PI-40203 [1,1,0,0,0,0|1,0,0]=3 982 B8R1.3 OC1=NC=C(N)C=C1 PI-37317 [1,1,0,0,0,0|1,0,0]=3 983 B8R1.3 Oc1ccc(Br)cc1 PI-22230 [1,1,0,0,0,0|2,0,0]=4 984 B8R1.3 Oc1ccc(I)cc1 PI-10956 [1,1,0,0,0,0|2,0,0]=4 985 B8R1.3 Oc1ccc(cc1)F PI-27532 [1,1,0,0,0,0|2,0,0]=4 986 B8R1.3 Oc1ccc(cc1)S PI-21361 [1,1,0,0,0,0|2,0,0]=4 987 B8R1.3 Oc1ccc(cn1)Br PI-16568 [1,1,0,0,0,0|1,0,0]=3 988 B8R1.3 Oc1ccc(cn1)C PI-37410 [1,1,0,0,0,0|1,0,0]=3 989 B8R1.3 Oc1ccc(cn1)Cl PI-15823 [1,1,0,0,0,0|1,0,0]=3 990 B8R1.3 Oc1ccc(cn1)F PI-34437 [1,1,0,0,0,0|1,0,0]=3 991 B8R1.3 Oc1ccc(cn1)N PI-28402 [1,1,0,0,0,0|1,0,0]=3 992 B8R1.3 Oc1cnc(N)nc1 PI-36493 [1,1,0,0,0,0|2,0,0]=4 993 B8R1.3 [O-][n+]1ccc(cc1)C PI-33172 [1,1,0,0,0,0|2,0,0]=4 994 B8R1.5 BrC1=NC=CC=C1N PI-28492 [1,1,0,0,0,0|1,0,0]=3 995 B8R1.5 Brc1ccccc1Br PI-38145 [1,1,0,0,0,0|2,0,0]=4 996 B8R1.5 Brc1cccnc1Cl PI-28602 [1,1,0,0,0,0|1,0,0]=3 997 B8R1.5 Brc1cccnc1N PI-30126 [1,1,0,0,0,0|1,0,0]=3 998 B8R1.5 C1=C(C(=NC=N1)Cl)F PI-42904 [1,1,0,0,0,0|2,0,0]=4 999 B8R1.5 C1=C(C(=NC=N1)N)F PI-45138 [1,1,0,0,0,0|2,0,0]=4 1000 B8R1.5 C1=CC(=C(N=C1)Br)Br PI-28122 [1,1,0,0,0,0|1,0,0]=3 1001 B8R1.5 C1=CC(=C(N=C1)Br)Cl PI-27992 [1,1,0,0,0,0|1,0,0]=3 1002 B8R1.5 C1=CC(=C(N=C1)Br)F PI-34450 [1,1,0,0,0,0|1,0,0]=3 1003 B8R1.5 C1=CC(=C(N=C1)Cl)Cl PI-10112 [1,1,0,0,0,0|1,0,0]=3 1004 B8R1.5 C1=CC(=C(N=C1)Cl)F PI-16375 [1,1,0,0,0,0|1,0,0]=3 1005 B8R1.5 C1=CC(=C(N=C1)Cl)I PI-11389 [1,1,0,0,0,0|1,0,0]=3 1006 B8R1.5 C1=CC(=C(N=C1)Cl)O PI-16697 [1,1,0,0,0,0|1,0,0]=3 1007 B8R1.5 C1=CC(=C(N=C1)F)I PI-16040 [1,1,0,0,0,0|1,0,0]=3 1008 B8R1.5 C1=CC(=C(N=C1)F)N PI-16374 [1,1,0,0,0,0|1,0,0]=3 1009 B8R1.5 C1=CC(=C(N=C1)F)O PI-40205 [1,1,0,0,0,0|1,0,0]=3 1010 B8R1.5 C1=CC(=C(N=C1)N)Cl PI-31793 [1,1,0,0,0,0|1,0,0]=3 1011 B8R1.5 C1=CC(=O)N(C=C1)O PI-43160 [1,1,0,0,0,0|1,0,1]=4 1012 B8R1.5 C1=CC(=S)N(C=C1)O PI-13313 [1,1,0,0,0,0|1,0,1]=4 1013 B8R1.5 C1=CC(=S)N(C=C1)O PI-15830 [1,1,0,0,0,0|1,0,1]=4 1014 B8R1.5 C1=CC=C(C(=C1)Cl)Br PI-41004 [1,1,0,0,0,0|2,0,0]=4 1015 B8R1.5 C1=CC=C(C(=C1)Cl)Cl PI-21004 [1,1,0,0,0,0|2,0,0]=4 1016 B8R1.5 C1=CC=C(C(=C1)F)I PI-23606 [1,1,0,0,0,0|2,0,0]=4 1017 B8R1.5 C1=CC=C(C(=C1)F)S PI-16911 [1,1,0,0,0,0|2,0,0]=4 1018 B8R1.5 C1=CC=C(C(=C1)N)I PI-10964 [1,1,0,0,0,0|2,0,0]=4 1019 B8R1.5 C1=CC=C(C(=C1)N)N PI-17100 [1,1,0,0,0,0|2,0,0]=4 1020 B8R1.5 C1=CC=C(C(=C1)O)F PI-11848 [1,1,0,0,0,0|2,0,0]=4 1021 B8R1.5 C1=CC=[N+](C(=C1)Br)[O-] PI-10991 [1,1,0,0,0,0|1,0,1]=4 1022 B8R1.5 C1=CC=[N+](C(=C1)Br)[O-] PI-31783 [1,1,0,0,0,0|1,0,1]=4 1023 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] PI-11832 [1,1,0,0,0,0|1,0,1]=4 1024 B8R1.5 C1=CC=[N+](C(=C1)Cl)[O-] PI-42568 [1,1,0,0,0,0|1,0,1]=4 1025 B8R1.5 C1=CN=C(C(=N1)C)N PI-40999 [1,1,0,0,0,0|1,0,0]=3 1026 B8R1.5 C1=CN=C(C(=N1)Cl)Cl PI-11728 [1,1,0,0,0,0|2,0,0]=4 1027 B8R1.5 C1=CNC(=O)C(=C1)Cl PI-35282 [1,1,0,0,0,0|1,0,1]=4 1028 B8R1.5 C1=CNC(=O)C(=C1)F PI-34509 [1,1,0,0,0,0|1,0,1]=4 1029 B8R1.5 C1=CNC(=O)C(=C1)N PI-10375 [1,1,0,0,0,0|1,0,1]=4 1030 B8R1.5 C1=CNC(=S)C(=C1)N PI-36113 [1,1,0,0,0,0|1,0,1]=4 1031 B8R1.5 CC1=C(Br)C=CN=C1 PI-40508 [1,1,0,0,0,0|2,0,0]=4 1032 B8R1.5 CC1=C(C=CC=N1)Br PI-23460 [1,1,0,0,0,0|0,0,0]=2 1033 B8R1.5 CC1=C(C=CN=C1)Cl PI-40252 [1,1,0,0,0,0|2,0,0]=4 1034 B8R1.5 CC1=C(C=CN=C1)N PI-14242 [1,1,0,0,0,0|2,0,0]=4 1035 B8R1.5 CC1=C(C=NC=C1)F PI-16771 [1,1,0,0,0,0|2,0,0]=4 1036 B8R1.5 CC1=C(C=NC=C1)O PI-34258 [1,1,0,0,0,0|2,0,0]=4 1037 B8R1.5 CC1=C(N=CC=C1)F PI-16763 [1,1,0,0,0,0|1,0,0]=3 1038 B8R1.5 CC1=C(N=CC=C1)N PI-33812 [1,1,0,0,0,0|1,0,0]=3 1039 B8R1.5 CC1=CC=CC=C1I PI-10980 [1,1,0,0,0,0|1,0,0]=3 1040 B8R1.5 CC1=CC=CC=[N+]1N PI-45950 [1,1,0,0,0,0|0,0,1]=3 1041 B8R1.5 CC1=NC=CN=C1C PI-11734 [1,1,0,0,0,0|1,0,0]=3 1042 B8R1.5 CC1=NC=CN=C1Cl PI-11816 [1,1,0,0,0,0|1,0,0]=3 1043 B8R1.5 CC1=NC=CNC1=O PI-40998 [1,1,0,0,0,0|1,0,0]=3 1044 B8R1.5 Cc1ccccc1F PI-34118 [1,1,0,0,0,0|1,0,0]=3 1045 B8R1.5 Cc1cccnc1Br PI-28405 [1,1,0,0,0,0|1,0,0]=3 1046 B8R1.5 Cc1cccnc1Cl PI-33878 [1,1,0,0,0,0|1,0,0]=3 1047 B8R1.5 Cc1ccncc1Br PI-23509 [1,1,0,0,0,0|2,0,0]=4 1048 B8R1.5 Cc1ccncc1N PI-24336 [1,1,0,0,0,0|2,0,0]=4 1049 B8R1.5 Cc1ccnnc1Cl PI-34083 [1,1,0,0,0,0|2,0,0]=4 1050 B8R1.5 Cc1cnccc1Br PI-33360 [1,1,0,0,0,0|2,0,0]=4 1051 B8R1.5 Cc1cnccc1O PI-38275 [1,1,0,0,0,0|2,0,0]=4 1052 B8R1.5 ClC1=CC=NN=C1Cl PI-37111 [1,1,0,0,0,0|2,0,0]=4 1053 B8R1.5 Clc1cccc[n+]1C PI-17309 [1,1,0,0,0,0|1,0,1]=4 1054 B8R1.5 Clc1ncncc1Cl PI-31681 [1,1,0,0,0,0|2,0,0]=4 1055 B8R1.5 FC1=NC=CC=C1Br PI-34449 [1,1,0,0,0,0|1,0,0]=3 1056 B8R1.5 Fc1ccccc1Br PI-33063 [1,1,0,0,0,0|2,0,0]=4 1057 B8R1.5 Fc1ccccc1F PI-11671 [1,1,0,0,0,0|2,0,0]=4 1058 B8R1.5 Fc1ncccc1F PI-16764 [1,1,0,0,0,0|1,0,0]=3 1059 B8R1.5 IC1=CC=CC=C1Br PI-21523 [1,1,0,0,0,0|2,0,0]=4 1060 B8R1.5 IC1=CC=CC=C1I PI-21274 [1,1,0,0,0,0|2,0,0]=4 1061 B8R1.5 Ic1cccnc1N PI-36512 [1,1,0,0,0,0|1,0,0]=3 1062 B8R1.5 Ic1cncnc1Cl PI-39068 [1,1,0,0,0,0|2,0,0]=4 1063 B8R1.5 Nc1cccnc1C PI-13066 [1,1,0,0,0,0|0,0,0]=2 1064 B8R1.5 Nc1cccnc1Cl PI-24529 [1,1,0,0,0,0|1,0,0]=3 1065 B8R1.5 Nc1cccnc1N PI-10159 [1,1,0,0,0,0|1,0,0]=3 1066 B8R1.5 Nc1cncnc1Cl PI-38851 [1,1,0,0,0,0|2,0,0]=4 1067 B8R1.5 Nc1nccnc1Br PI-38204 [1,1,0,0,0,0|2,0,0]=4 1068 B8R1.5 Nc1nccnc1Cl PI-38205 [1,1,0,0,0,0|2,0,0]=4 1069 B8R1.5 Nc1ncncc1N PI-21323 [1,1,0,0,0,0|2,0,0]=4 1070 B8R1.5 O=c1[nH]cccc1C PI-16687 [1,1,0,0,0,0|1,0,1]=4 1071 B8R1.5 O=c1ccccn1C PI-10985 [1,1,0,0,0,0|1,0,1]=4 1072 B8R1.5 OC1=C(I)C=CC=C1 PI-10953 [1,1,0,0,0,0|2,0,0]=4 1073 B8R1.5 OC1=NC=CC=C1Br PI-37057 [1,1,0,0,0,0|1,0,0]=3 1074 B8R1.5 Oc1ccccc1Br PI-10952 [1,1,0,0,0,0|2,0,0]=4 1075 B8R1.5 Oc1ccccc1O PI-31351 [1,1,0,0,0,0|2,0,0]=4 1076 B8R1.5 Oc1ccccc1S PI-20878 [1,1,0,0,0,0|2,0,0]=4 1077 B8R1.5 Oc1cccnc1Br PI-16727 [1,1,0,0,0,0|1,0,0]=3 1078 B8R1.5 Oc1cccnc1C PI-13315 [1,1,0,0,0,0|0,0,0]=2 1079 B8R1.5 Oc1cccnc1N PI-16260 [1,1,0,0,0,0|1,0,0]=3 1080 B8R1.5 Oc1ncccc1O PI-11386 [1,1,0,0,0,0|1,0,0]=3 1081 B8R1.5 [S-]c1cccc[n+]1[O-] PI-15322 [1,1,0,0,0,0|1,0,1]=4 1082 B8R1.5 [S-]c1cccc[n+]1[O-] PI-15323 [1,1,0,0,0,0|1,0,1]=4 1083 B8R1.1 C1=C(N=C(S1)Br)CO PI-25632 [0,1,0,0,1,0|2,0,0]=4 1084 B8R1.1 C1=C(SC(=C1)Br)CO PI-45451 [0,1,0,0,1,0|2,0,0]=4 1085 B8R1.1 C1=C(SC(=C1)Cl)CCl PI-27377 [0,1,0,0,1,0|2,0,0]=4 1086 B8R1.1 C1=C(SC(=C1)Cl)CO PI-45044 [0,1,0,0,1,0|2,0,0]=4 1087 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [0,1,0,0,1,0|1,0,1]=4 1088 B8R1.1 CC1=CC=C(O1)CN PI-43985 [0,1,0,0,1,0|1,0,0]=3 1089 B8R1.1 CC1=NC(=CS1)C=O PI-39568 [0,1,0,0,1,0|1,0,1]=4 1090 B8R1.1 CC1=NC(=CS1)CCl PI-20165 [0,1,0,0,1,0|1,0,0]=3 1091 B8R1.1 CCC1=NC(=CS1)C PI-11124 [0,1,0,0,1,0|1,0,0]=3 1092 B8R1.1 CCC1=NC=C(N1)C PI-31806 [0,1,0,0,1,0|1,0,1]=4 1093 B8R1.1 C[N]1C=CC(=N1)C=O PI-39712 [0,1,0,0,1,0|1,0,1]=4 1094 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [0,1,0,0,1,0|1,0,1]=4 1095 B8R1.18 CC1=C(SC(=N1)C)Br PI-14420 [0,1,0,0,1,0|1,0,0]=3 1096 B8R1.18 CC1=C(SC(=N1)C)C PI-11116 [0,1,0,0,1,0|1,0,0]=3 1097 B8R1.18 CC1=C(SC(=N1)N)Br PI-31540 [0,1,0,0,1,0|2,0,0]=4 1098 B8R1.18 CC1=C(SC(=N1)N)C PI-30877 [0,1,0,0,1,0|2,0,0]=4 1099 B8R1.18 CC1=CC(=C(O1)C)S PI-48469 [0,1,0,0,1,0|1,0,0]=3 1100 B8R1.18 CC1=CC(=C(S1)C)C PI-29262 [0,1,0,0,1,0|1,0,0]=3 1101 B8R1.18 CC1=CC(=O)N(N1)C PI-33909 [0,1,0,0,1,0|1,0,1]=4 1102 B8R1.18 CC1=NN(C(=C1)N)C PI-15881 [0,1,0,0,1,0|1,0,0]=3 1103 B8R1.18 CC1=NN(C(=O)C1)C PI-11679 [0,1,0,0,1,0|1,0,1]=4 1104 B8R1.18 CC1C(=O)C=C(O1)C PI-27174 [0,1,0,0,1,0|1,0,1]=4 1105 B8R1.18 Cc1cc(n(n1)C)C PI-37586 [0,1,0,0,1,0|1,0,0]=3 1106 B8R1.18 NC1=CN(C)N=C1C PI-39715 [0,1,0,0,1,0|1,0,0]=3 1107 B8R1.18 Nc1sc(c(n1)C)C PI-32188 [0,1,0,0,1,0|2,0,0]=4 1108 B8R1.11 C1=CSC(=C1CCl)Cl PI-35066 [0,1,0,0,1,0|2,0,0]=4 1109 B8R1.11 C1=CSC(=C1CN)Br PI-14463 [0,1,0,0,1,0|2,0,0]=4 1110 B8R1.11 CC1=C(C=CO1)SC PI-14230 [0,1,0,0,1,0|1,0,0]=3 1111 B8R1.11 CC1=C(CO)NC=N1 PI-11991 [0,1,0,0,1,0|2,0,0]=4 1112 B8R1.11 CC1=C(N=CN1)CO PI-32341 [0,1,0,0,1,0|2,0,0]=4 1113 B8R1.11 CC1=C(SC=C1)C#N PI-30712 [0,1,0,0,1,0|1,0,1]=4 1114 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [0,1,0,0,1,0|1,0,1]=4 1115 B8R1.11 CCC1=CC=CN1N PI-40301 [0,1,0,0,1,0|2,0,0]=4 1116 B8R1.11 CN1C=CC=C1C=O PI-33707 [0,1,0,0,1,0|1,0,1]=4 1117 B8R1.11 CN1C=CN=C1CO PI-33166 [0,1,0,0,1,0|2,0,0]=4 1118 B8R1.11 CN1N=CC=C1CC PI-39594 [0,1,0,0,1,0|2,0,0]=4 1119 B8R1.11 COC1=C(SC=C1)Br PI-39262 [0,1,0,0,1,0|2,0,0]=4 1120 B8R1.11 N#Cc1cccn1C PI-34307 [0,1,0,0,1,0|1,0,1]=4 1121 B8R1.11 NCC1=CC=NN1C PI-40532 [0,1,0,0,1,0|2,0,0]=4 1122 B8R1.11 NCc1nccn1C PI-38209 [0,1,0,0,1,0|2,0,0]=4 1123 B10R1.2 C1=CC(=C(C(=C1)Cl)F)CBr PI-28865 [0,2,0,0,0,0|2,0,0]=4 1124 B10R1.2 C1=CC(=C(C(=C1)F)F)CBr PI-28061 [0,2,0,0,0,0|2,0,0]=4 1125 B10R1.2 C1=CC(=C(C(=C1)F)F)CN PI-21148 [0,2,0,0,0,0|2,0,0]=4 1126 B10R1.2 C1=CC(=C(C(=C1)F)F)CO PI-21147 [0,2,0,0,0,0|2,0,0]=4 1127 B10R1.2 CC1=C(C(=CC=C1)C#N)C PI-21940 [0,2,0,0,0,0|1,0,1]=4 1128 B10R1.2 CC1=C(C(=CC=C1)C#N)F PI-10707 [0,2,0,0,0,0|1,0,1]=4 1129 B10R1.2 CC1=C(C(=CC=C1)C=O)C PI-10267 [0,2,0,0,0,0|1,0,1]=4 1130 B10R1.2 CC1=C(C(=CC=C1)CBr)C PI-19918 [0,2,0,0,0,0|1,0,0]=3 1131 B10R1.2 CC1=C(C(=CC=C1)CBr)F PI-23752 [0,2,0,0,0,0|1,0,0]=3 1132 B10R1.2 CC1=C(C(=CC=C1)NN)C PI-29705 [0,2,0,0,0,0|2,0,0]=4 1133 B10R1.2 CC1=C(C(=CC=C1)OC)C PI-33340 [0,2,0,0,0,0|1,0,0]=3 1134 B10R1.2 CC1=C(C=CC=C1Cl)OC PI-19448 [0,2,0,0,0,0|2,0,0]=4 1135 B10R1.2 CC1=C(C=CC=C1N)CO PI-44883 [0,2,0,0,0,0|2,0,0]=4 1136 B10R1.2 CC1=C(C=CC=C1N)CO PI-44908 [0,2,0,0,0,0|2,0,0]=4 1137 B10R1.2 CC1=C(C=CC=C1OC)N PI-19271 [0,2,0,0,0,0|2,0,0]=4 1138 B10R1.2 CCC1=CC=CC(=C1N)C PI-34080 [0,2,0,0,0,0|1,0,0]=3 1139 B10R1.2 COC1=C(C(=CC=C1)F)Br PI-34352 [0,2,0,0,0,0|2,0,0]=4 1140 B10R1.2 COC1=C(C(=CC=C1)F)F PI-28119 [0,2,0,0,0,0|2,0,0]=4 1141 B10R1.2 COC1=CC=CC(=C1Cl)N PI-34739 [0,2,0,0,0,0|2,0,0]=4 1142 B10R1.2 COc1cccc(O)c1Br PI-34766 [0,2,0,0,0,0|2,0,0]=4 1143 B10R1.2 COc1cccc(c1N)O PI-38206 [0,2,0,0,0,0|2,0,0]=4 1144 B10R1.2 COc1cccc(c1O)O PI-19986 [0,2,0,0,0,0|2,0,0]=4 1145 B10R1.2 CSC1=C(C)C(Cl)=CC=C1 PI-39859 [0,2,0,0,0,0|2,0,0]=4 1146 B10R1.2 FC1=C(Cl)C(CBr)=CC=C1 PI-39696 [0,2,0,0,0,0|2,0,0]=4 1147 B10R1.2 NCC1=CC=CC(F)=C1Br PI-46659 [0,2,0,0,0,0|2,0,0]=4 1148 B10R1.2 NCc1cccc(Cl)c1F PI-20073 [0,2,0,0,0,0|2,0,0]=4 1149 B10R1.2 O=Cc1cccc(C)c1F PI-28944 [0,2,0,0,0,0|1,0,1]=4 1150 B10R1.2 O=Cc1cccc(C)c1O PI-27937 [0,2,0,0,0,0|1,0,1]=4 1151 B10R1.8 BrCC1=CC(Br)=CC(Br)=C1 PI-30725 [0,2,0,0,0,0|2,0,0]=4 1152 B10R1.8 C1=C(C=C(C=C1Br)Br)CO PI-30149 [0,2,0,0,0,0|2,0,0]=4 1153 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CN PI-21013 [0,2,0,0,0,0|2,0,0]=4 1154 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CO PI-30760 [0,2,0,0,0,0|2,0,0]=4 1155 B10R1.8 C1=C(C=C(C=C1F)F)CBr PI-16885 [0,2,0,0,0,0|2,0,0]=4 1156 B10R1.8 C1=C(C=C(C=C1F)F)CN PI-33740 [0,2,0,0,0,0|2,0,0]=4 1157 B10R1.8 C1=C(C=C(N=C1Cl)Cl)C#N PI-21049 [0,2,0,0,0,0|2,0,0]=4 1158 B10R1.8 C1=C(N=C(N=C1OC)N)Cl PI-31235 [0,2,0,0,0,0|2,0,0]=4 1159 B10R1.8 CC1=CC(=CC(=C1)Br)OC PI-19403 [0,2,0,0,0,0|1,0,0]=3 1160 B10R1.8 CC1=CC(=CC(=C1)C#N)C PI-23424 [0,2,0,0,0,0|1,0,0]=3 1161 B10R1.8 CC1=CC(=CC(=C1)CBr)C PI-24287 [0,2,0,0,0,0|1,0,0]=3 1162 B10R1.8 CC1=CC(=CC(=C1)CN)C PI-21942 [0,2,0,0,0,0|1,0,0]=3 1163 B10R1.8 CC1=CC(=CC(=C1)F)C#N PI-10708 [0,2,0,0,0,0|1,0,1]=4 1164 B10R1.8 CC1=CC(=CC(=C1)NN)C PI-21975 [0,2,0,0,0,0|1,0,0]=3 1165 B10R1.8 CC1=CC(=CC(=O)O1)OC PI-48746 [0,2,0,0,0,0|2,0,0]=4 1166 B10R1.8 CC1=CC(=NC(=N1)CCl)C PI-45126 [0,2,0,0,0,0|1,0,0]=3 1167 B10R1.8 CC1=CC(=NC(=N1)Cl)SC PI-33600 [0,2,0,0,0,0|2,0,0]=4 1168 B10R1.8 CC1=CC(=NC(=N1)N)NN PI-16300 [0,2,0,0,0,0|2,0,0]=4 1169 B10R1.8 CC1=CC(=NC(=N1)N)OC PI-30926 [0,2,0,0,0,0|2,0,0]=4 1170 B10R1.8 CC1=CC(=NC(=N1)SC)Cl PI-33599 [0,2,0,0,0,0|1,0,0]=3 1171 B10R1.8 CC1=CC(CCl)=CC(Cl)=N1 PI-41850 [0,2,0,0,0,0|1,0,0]=3 1172 B10R1.8 CC1=NC(Cl)=CC(NC)=N1 PI-46734 [0,2,0,0,0,0|1,0,0]=3 1173 B10R1.8 CC1=NC(OC)=CC(Cl)=N1 PI-46743 [0,2,0,0,0,0|1,0,0]=3 1174 B10R1.8 CCC1=CC(=NC(=N1)Cl)Cl PI-45163 [0,2,0,0,0,0|2,0,0]=4 1175 B10R1.8 CCC1=CC(=NC(=N1)N)Cl PI-34993 [0,2,0,0,0,0|2,0,0]=4 1176 B10R1.8 CCC1=CC(=O)NC(=N1)N PI-34995 [0,2,0,0,0,0|2,0,0]=4 1177 B10R1.8 CNC1=CC(=NC(=C1)Cl)Cl PI-47310 [0,2,0,0,0,0|2,0,0]=4 1178 B10R1.8 COC1=CC(=CC(=C1)Br)Br PI-19875 [0,2,0,0,0,0|2,0,0]=4 1179 B10R1.8 COC1=CC(=CC(=C1)Cl)F PI-20056 [0,2,0,0,0,0|2,0,0]=4 1180 B10R1.8 COC1=CC(=NC(=N1)N)F PI-16304 [0,2,0,0,0,0|2,0,0]=4 1181 B10R1.8 COC1=CC(Cl)=CC(Br)=C1 PI-41830 [0,2,0,0,0,0|2,0,0]=4 1182 B10R1.8 COc1cc(C)cc(c1)C PI-34203 [0,2,0,0,0,0|1,0,0]=3 1183 B10R1.8 COc1cc(C)nc(Cl)n1 PI-36372 [0,2,0,0,0,0|2,0,0]=4 1184 B10R1.8 COc1cc(F)cc(F)c1 PI-31329 [0,2,0,0,0,0|2,0,0]=4 1185 B10R1.8 COc1cc(F)cc(c1)Br PI-10475 [0,2,0,0,0,0|2,0,0]=4 1186 B10R1.8 COc1cc(O)cc(c1)O PI-17720 [0,2,0,0,0,0|2,0,0]=4 1187 B10R1.8 CSC1=CC(=CC(=C1)Cl)Cl PI-11896 [0,2,0,0,0,0|2,0,0]=4 1188 B10R1.8 CSC1=NC(=CC(=N1)Cl)N PI-30030 [0,2,0,0,0,0|2,0,0]=4 1189 B10R1.8 CSc1nc(Cl)cc(n1)Cl PI-16277 [0,2,0,0,0,0|2,0,0]=4 1190 B10R1.8 CSc1nc(O)cc(n1)O PI-11954 [0,2,0,0,0,0|2,0,0]=4 1191 B10R1.8 ClCc1cc(F)cc(c1)F PI-21151 [0,2,0,0,0,0|2,0,0]=4 1192 B10R1.8 NC1=CC(C)=CC(OC)=C1 PI-37340 [0,2,0,0,0,0|1,0,0]=3 1193 B10R1.8 NC1=CC(OC)=CC(Cl)=C1 PI-36641 [0,2,0,0,0,0|2,0,0]=4 1194 B10R1.8 O=Cc1cc(C)cc(F)c1 PI-28945 [0,2,0,0,0,0|1,0,1]=4 1195 B10R1.8 O=Cc1cc(C)cc(c1)C PI-27730 [0,2,0,0,0,0|1,0,0]=3 1196 B10R1.8 O=Cc1cc(Cl)nc(c1)Cl PI-38198 [0,2,0,0,0,0|2,0,0]=4 1197 B10R1.8 OC1=CC(C)=CC(OC)=C1 PI-20801 [0,2,0,0,0,0|1,0,0]=3 1198 B10R1.8 OCc1cc(Cl)cc(c1)Br PI-36975 [0,2,0,0,0,0|2,0,0]=4 1199 B10R1.8 OCc1cc(F)cc(c1)F PI-31311 [0,2,0,0,0,0|2,0,0]=4 1200 B10R1.8 OCc1cc(O)cc(O)c1 PI-31143 [0,2,0,0,0,0|2,0,0]=4 1201 B10R1.10 BrCCc1cccc(C)c1 PI-21424 [0,2,0,0,0,0|1,0,0]=3 1202 B10R1.10 BrCCc1cccc(Cl)c1 PI-21414 [0,2,0,0,0,0|2,0,0]=4 1203 B10R1.10 C1=CC(=CC(=C1)Br)CCN PI-48226 [0,2,0,0,0,0|2,0,0]=4 1204 B10R1.10 C1=CC(=CC(=C1)F)CCBr PI-23811 [0,2,0,0,0,0|2,0,0]=4 1205 B10R1.10 C1=CC(=CC(=C1)O)CCN PI-12399 [0,2,0,0,0,0|2,0,0]=4 1206 B10R1.10 C1=CC(=CC(=C1)O)CCO PI-48194 [0,2,0,0,0,0|2,0,0]=4 1207 B10R1.10 CC1=CC(=CC=C1)N=C=O PI-50375 [0,2,0,0,0,0|1,0,1]=4 1208 B10R1.10 CCNC1=NC(Cl)=NC=C1 PI-46718 [0,2,0,0,0,0|2,0,0]=4 1209 B10R1.10 CCNC1=NC=CC(Cl)=N1 PI-46735 [0,2,0,0,0,0|2,0,0]=4 1210 B10R1.10 CCOC1=CC(=CC=C1)F PI-33067 [0,2,0,0,0,0|2,0,0]=4 1211 B10R1.10 CCOC1=CC(=CC=C1)S PI-21359 [0,2,0,0,0,0|2,0,0]=4 1212 B10R1.10 CCOc1cccc(c1)Br PI-38261 [0,2,0,0,0,0|2,0,0]=4 1213 B10R1.10 COCc1ccnc(n1)Cl PI-39178 [0,2,0,0,0,0|2,0,0]=4 1214 B10R1.10 N#CCc1cccc(Cl)c1 PI-11917 [0,2,0,0,0,0|2,0,0]=4 1215 B10R1.10 N#CCc1cccc(F)c1 PI-16867 [0,2,0,0,0,0|2,0,0]=4 1216 B10R1.10 N#CCc1cccc(c1)Br PI-11912 [0,2,0,0,0,0|2,0,0]=4 1217 B10R1.10 NCCc1cccc(c1)F PI-33071 [0,2,0,0,0,0|2,0,0]=4 1218 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [0,2,0,0,0,0|2,0,0]=4 1219 B10R1.10 [C-]#[N+]Cc1cccc(c1)Cl PI-23614 [0,2,0,0,0,0|2,0,0]=4 1220 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [0,2,0,0,0,0|2,0,0]=4 1221 B10R1.30 BrCc1cc(Cl)ccc1Cl PI-38192 [0,2,0,0,0,0|2,0,0]=4 1222 B10R1.30 BrCc1cc(Cl)ccc1F PI-20079 [0,2,0,0,0,0|2,0,0]=4 1223 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [0,2,0,0,0,0|2,0,0]=4 1224 B10R1.30 C1=CC(=C(C=C1Br)CN)N PI-44072 [0,2,0,0,0,0|2,0,0]=4 1225 B10R1.30 C1=CC(=C(C=C1Br)CO)F PI-14437 [0,2,0,0,0,0|2,0,0]=4 1226 B10R1.30 C1=CC(=C(C=C1Br)CO)N PI-46965 [0,2,0,0,0,0|2,0,0]=4 1227 B10R1.30 C1=CC(=C(C=C1Cl)CCl)Cl PI-27419 [0,2,0,0,0,0|2,0,0]=4 1228 B10R1.30 C1=CC(=C(C=C1Cl)CO)Cl PI-30501 [0,2,0,0,0,0|2,0,0]=4 1229 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [0,2,0,0,0,0|2,0,0]=4 1230 B10R1.30 C1=CC(=C(C=C1F)CBr)Br PI-14438 [0,2,0,0,0,0|2,0,0]=4 1231 B10R1.30 C1=CC(=C(C=C1F)CBr)Cl PI-34130 [0,2,0,0,0,0|2,0,0]=4 1232 B10R1.30 C1=CC(=C(C=C1F)CBr)F PI-13390 [0,2,0,0,0,0|2,0,0]=4 1233 B10R1.30 C1=CC(=C(C=C1F)CN)F PI-31317 [0,2,0,0,0,0|2,0,0]=4 1234 B10R1.30 C1=CC(=C(C=C1F)CO)Br PI-42946 [0,2,0,0,0,0|2,0,0]=4 1235 B10R1.30 C1=CC(=C(C=C1F)CO)F PI-33073 [0,2,0,0,0,0|2,0,0]=4 1236 B10R1.30 C1=CC(=C(C=C1I)CO)Br PI-41207 [0,2,0,0,0,0|2,0,0]=4 1237 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [0,2,0,0,0,0|2,0,0]=4 1238 B10R1.30 CC1=C(C=C(C=C1)F)CBr PI-23755 [0,2,0,0,0,0|2,0,0]=4 1239 B10R1.30 CC1=CC(=C(C=C1)C)C#C PI-19877 [0,2,0,0,0,0|1,0,1]=4 1240 B10R1.30 CC1=CC(=C(C=C1)C)C#N PI-23423 [0,2,0,0,0,0|1,0,1]=4 1241 B10R1.30 CC1=CC(=C(C=C1)C)C=O PI-27729 [0,2,0,0,0,0|1,0,1]=4 1242 B10R1.30 CC1=CC(=C(C=C1)C)NN PI-29706 [0,2,0,0,0,0|2,0,0]=4 1243 B10R1.30 CC1=CC(=C(C=C1)F)C#N PI-28713 [0,2,0,0,0,0|1,0,1]=4 1244 B10R1.30 CC1=CC(=C(C=C1)F)C=O PI-10457 [0,2,0,0,0,0|1,0,1]=4 1245 B10R1.30 CC1=CC(=C(C=C1)N)C#N PI-34275 [0,2,0,0,0,0|1,0,1]=4 1246 B10R1.30 CC1=CC=C(O)C(CC)=N1 PI-33202 [0,2,0,0,0,0|0,0,0]=2 1247 B10R1.30 CC1=NC(=C(C=C1)F)OC PI-34436 [0,2,0,0,0,0|0,0,0]=2 1248 B10R1.30 CC1=NC(=C(C=C1)N)NC PI-35679 [0,2,0,0,0,0|0,0,0]=2 1249 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [0,2,0,0,0,0|2,0,0]=4 1250 B10R1.30 CCc1cc(Br)ccc1I PI-21420 [0,2,0,0,0,0|2,0,0]=4 1251 B10R1.30 CNC1=C(C=CC(=C1)F)Br PI-39646 [0,2,0,0,0,0|2,0,0]=4 1252 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [0,2,0,0,0,0|2,0,0]=4 1253 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [0,2,0,0,0,0|2,0,0]=4 1254 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [0,2,0,0,0,0|2,0,0]=4 1255 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [0,2,0,0,0,0|2,0,0]=4 1256 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [0,2,0,0,0,0|2,0,0]=4 1257 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [0,2,0,0,0,0|2,0,0]=4 1258 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [0,2,0,0,0,0|2,0,0]=4 1259 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [0,2,0,0,0,0|2,0,0]=4 1260 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [0,2,0,0,0,0|2,0,0]=4 1261 B10R1.30 COC1=NC(=CN=C1Cl)Br PI-45641 [0,2,0,0,0,0|2,0,0]=4 1262 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [0,2,0,0,0,0|2,0,0]=4 1263 B10R1.30 COc1cc(Br)ccc1F PI-34341 [0,2,0,0,0,0|2,0,0]=4 1264 B10R1.30 COc1nc(Br)cnc1N PI-37313 [0,2,0,0,0,0|2,0,0]=4 1265 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [0,2,0,0,0,0|2,0,0]=4 1266 B10R1.30 NCc1cc(Cl)ccc1F PI-20075 [0,2,0,0,0,0|2,0,0]=4 1267 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [0,2,0,0,0,0|1,0,1]=4 1268 B10R1.30 OC1=CC=C(C)N=C1CC PI-40313 [0,2,0,0,0,0|0,0,0]=2 1269 B10R1.30 OCc1cc(Cl)ccc1Br PI-35234 [0,2,0,0,0,0|2,0,0]=4 1270 B10R1.113 B(C1=CC(=CC=C1)C)(O)O PI-11574 [0,2,0,0,0,0|2,0,0]=4 1271 B10R1.113 B(C1=NC(=CC=C1)Br)(O)O PI-33786 [0,2,0,0,0,0|2,0,0]=4 1272 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [0,2,0,0,0,0|2,0,0]=4 1273 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [0,2,0,0,0,0|2,0,0]=4 1274 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,2,0,0,0,0|1,0,1]=4 1275 B10R1.113 C1=CC(=CC(=C1)Br)C(F)F PI-21635 [0,2,0,0,0,0|2,0,0]=4 1276 B10R1.113 C1=CC(=CC(=C1)Cl)C(Cl)Cl PI-19154 [0,2,0,0,0,0|2,0,0]=4 1277 B10R1.113 C1=CC(=CC(=C1)F)C(Cl)Cl PI-19546 [0,2,0,0,0,0|2,0,0]=4 1278 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,2,0,0,0,0|1,0,1]=4 1279 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,2,0,0,0,0|2,0,0]=4 1280 B10R1.113 CC(C)C1=NC(=CC=C1)Cl PI-31678 [0,2,0,0,0,0|1,0,0]=3 1281 B10R1.113 CC(C1=CC(=CC=C1)Br)O PI-19679 [0,2,0,0,0,0|2,0,0]=4 1282 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [0,2,0,0,0,0|2,0,0]=4 1283 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [0,2,0,0,0,0|2,0,0]=4 1284 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [0,2,0,0,0,0|2,0,0]=4 1285 B10R1.113 CC(C1=CC(=CC=C1)F)O PI-32581 [0,2,0,0,0,0|2,0,0]=4 1286 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [0,2,0,0,0,0|1,0,1]=4 1287 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,2,0,0,0,0|1,0,0]=3 1288 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [0,2,0,0,0,0|1,0,0]=3 1289 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [0,2,0,0,0,0|1,0,0]=3 1290 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,2,0,0,0,0|0,0,1]=3 1291 B10R1.113 CC1=NC(=CC=C1)[N+](=O)[O-] PI-28224 [0,2,0,0,0,0|1,0,0]=3 1292 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,2,0,0,0,0|2,0,0]=4 1293 B10R1.113 C[C@@H](C1=CC(=CC=C1)Br)O PI-49804 [0,2,0,0,0,0|2,0,0]=4 1294 B10R1.113 C[C@@H](O)C1=CC=CC(Br)=C1 PI-37056 [0,2,0,0,0,0|2,0,0]=4 1295 B10R1.113 Cc1cccc(n1)B(O)O PI-25500 [0,2,0,0,0,0|1,0,0]=3 1296 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,2,0,0,0,0|1,0,1]=4 1297 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [0,2,0,0,0,0|2,0,0]=4 1298 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [0,2,0,0,0,0|2,0,0]=4 1299 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,2,0,0,0,0|1,0,1]=4 1300 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,2,0,0,0,0|2,0,0]=4 1301 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,2,0,0,0,0|1,0,1]=4 1302 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,2,0,0,0,0|2,0,0]=4 1303 B10R1.113 Nc1cccc(c1)N(C)C PI-30522 [0,2,0,0,0,0|2,0,0]=4 1304 B10R1.113 O=[N+](C1=CC=CC(Br)=N1)[O-] PI-37150 [0,2,0,0,0,0|2,0,0]=4 1305 B10R1.113 O=[N+](C1=CC=CC(Cl)=N1)[O-] PI-37415 [0,2,0,0,0,0|2,0,0]=4 1306 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,2,0,0,0,0|1,0,1]=4 1307 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,2,0,0,0,0|2,0,0]=4 1308 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [0,2,0,0,0,0|1,0,1]=4 1309 B10R1.113 Sc1cccc(c1)N(C)C PI-23411 [0,2,0,0,0,0|2,0,0]=4 1310 B10R1.172 BrCC1=CC(CBr)=CC=C1 PI-32198 [0,2,0,0,0,0|1,0,0]=3 1311 B10R1.172 BrCc1cccc(C=O)c1 PI-26927 [0,2,0,0,0,0|1,0,1]=4 1312 B10R1.172 C1=CC(=CC(=C1)C#N)CBr PI-11546 [0,2,0,0,0,0|1,0,1]=4 1313 B10R1.172 C1=CC(=CC(=C1)C#N)CO PI-46956 [0,2,0,0,0,0|1,0,1]=4 1314 B10R1.172 C1=CC(=CC(=C1)CO)CO PI-11678 [0,2,0,0,0,0|1,0,0]=3 1315 B10R1.172 C1=CC(=NC(=C1)C#N)C#N PI-44760 [0,2,0,0,0,0|0,0,2]=4 1316 B10R1.172 C1=CC(=NC(=C1)CCl)CCl PI-46996 [0,2,0,0,0,0|0,0,0]=2 1317 B10R1.172 CCC1=CC(=CC=C1)C#N PI-22051 [0,2,0,0,0,0|1,0,1]=4 1318 B10R1.172 CNC1=NC(=CC=C1)OC PI-11646 [0,2,0,0,0,0|0,0,0]=2 1319 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [0,2,0,0,0,0|1,0,0]=3 1320 B10R1.172 COC1=CC(=NC=C1)CN PI-50083 [0,2,0,0,0,0|2,0,0]=4 1321 B10R1.172 COC1=CC(=NC=C1)OC PI-26237 [0,2,0,0,0,0|2,0,0]=4 1322 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [0,2,0,0,0,0|1,0,1]=4 1323 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [0,2,0,0,0,0|1,0,0]=3 1324 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [0,2,0,0,0,0|1,0,0]=3 1325 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [0,2,0,0,0,0|2,0,0]=4 1326 B10R1.172 COC1=NC(=CC=C1)OC PI-34404 [0,2,0,0,0,0|0,0,0]=2 1327 B10R1.172 COC1=NC(=NC=C1)OC PI-21327 [0,2,0,0,0,0|1,0,0]=3 1328 B10R1.172 COc1cccc(c1)C=O PI-32570 [0,2,0,0,0,0|1,0,1]=4 1329 B10R1.172 COc1cccc(n1)C=O PI-26723 [0,2,0,0,0,0|0,0,1]=3 1330 B10R1.172 COc1nccc(c1)CO PI-39370 [0,2,0,0,0,0|2,0,0]=4 1331 B10R1.172 CSc1nccc(n1)C=O PI-38235 [0,2,0,0,0,0|1,0,1]=4 1332 B10R1.172 ClCc1cccc(c1)OC PI-32021 [0,2,0,0,0,0|1,0,0]=3 1333 B10R1.172 N#CC1=NC(OC)=CC=C1 PI-46677 [0,2,0,0,0,0|0,0,1]=3 1334 B10R1.172 OCc1cccc(CBr)c1 PI-22137 [0,2,0,0,0,0|1,0,0]=3 1335 B10R1.172 OCc1cccc(c1)OC PI-31272 [0,2,0,0,0,0|1,0,0]=3 1336 B10R1.172 OCc1cccc(n1)CO PI-10381 [0,2,0,0,0,0|0,0,0]=2 1337 B10R1.176 BrCc1ccc(C)c(F)c1 PI-23753 [0,2,0,0,0,0|2,0,0]=4 1338 B10R1.176 BrCc1ccc(F)c(C)c1 PI-23754 [0,2,0,0,0,0|1,0,0]=3 1339 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl PI-35255 [0,2,0,0,0,0|2,0,0]=4 1340 B10R1.176 C1=CC(=C(C=C1CBr)Cl)F PI-20078 [0,2,0,0,0,0|2,0,0]=4 1341 B10R1.176 C1=CC(=C(C=C1CBr)F)Br PI-35170 [0,2,0,0,0,0|2,0,0]=4 1342 B10R1.176 C1=CC(=C(C=C1CBr)F)F PI-13391 [0,2,0,0,0,0|2,0,0]=4 1343 B10R1.176 C1=CC(=C(C=C1CCl)F)F PI-21150 [0,2,0,0,0,0|2,0,0]=4 1344 B10R1.176 C1=CC(=C(C=C1CN)Br)F PI-43947 [0,2,0,0,0,0|2,0,0]=4 1345 B10R1.176 C1=CC(=C(C=C1CN)Cl)Cl PI-11886 [0,2,0,0,0,0|2,0,0]=4 1346 B10R1.176 C1=CC(=C(C=C1CN)Cl)F PI-20074 [0,2,0,0,0,0|2,0,0]=4 1347 B10R1.176 C1=CC(=C(C=C1CN)F)F PI-33741 [0,2,0,0,0,0|2,0,0]=4 1348 B10R1.176 C1=CC(=C(C=C1CO)Br)F PI-14435 [0,2,0,0,0,0|2,0,0]=4 1349 B10R1.176 C1=CC(=C(C=C1CO)Cl)Cl PI-32224 [0,2,0,0,0,0|2,0,0]=4 1350 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [0,2,0,0,0,0|2,0,0]=4 1351 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [0,2,0,0,0,0|2,0,0]=4 1352 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [0,2,0,0,0,0|1,0,1]=4 1353 B10R1.176 CC1=C(C=C(C=C1)CCl)C PI-23827 [0,2,0,0,0,0|1,0,0]=3 1354 B10R1.176 CC1=C(C=C(C=C1)CN)C PI-33680 [0,2,0,0,0,0|1,0,0]=3 1355 B10R1.176 CC1=C(C=C(C=C1)CN)Cl PI-20155 [0,2,0,0,0,0|2,0,0]=4 1356 B10R1.176 CC1=C(C=C(C=C1)NN)C PI-50516 [0,2,0,0,0,0|2,0,0]=4 1357 B10R1.176 CC1=C(C=C(C=C1)OC)Cl PI-10076 [0,2,0,0,0,0|2,0,0]=4 1358 B10R1.176 CC1=C(C=C(C=C1)OC)F PI-28510 [0,2,0,0,0,0|2,0,0]=4 1359 B10R1.176 CC1=C(C=CC(=C1)C#N)Br PI-14470 [0,2,0,0,0,0|1,0,1]=4 1360 B10R1.176 CC1=C(C=CC(=C1)C#N)F PI-10709 [0,2,0,0,0,0|1,0,1]=4 1361 B10R1.176 CC1=C(C=CC(=C1)C#N)N PI-30932 [0,2,0,0,0,0|1,0,1]=4 1362 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [0,2,0,0,0,0|1,0,1]=4 1363 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [0,2,0,0,0,0|1,0,1]=4 1364 B10R1.176 CC1=C(C=CC(=C1)OC)Br PI-31134 [0,2,0,0,0,0|1,0,0]=3 1365 B10R1.176 CC1=C(C=CC(=C1)OC)Cl PI-19110 [0,2,0,0,0,0|1,0,0]=3 1366 B10R1.176 CC1=C(C=CC(=C1)OC)F PI-28300 [0,2,0,0,0,0|1,0,0]=3 1367 B10R1.176 CC1=C(C=CC(=C1)OC)N PI-11298 [0,2,0,0,0,0|1,0,0]=3 1368 B10R1.176 CC1=NC(OC)=NC=C1Br PI-46809 [0,2,0,0,0,0|1,0,0]=3 1369 B10R1.176 CCC1=CN=C(C(=N1)C)C PI-11050 [0,2,0,0,0,0|1,0,0]=3 1370 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [0,2,0,0,0,0|2,0,0]=4 1371 B10R1.176 COC1=CC(=C(C=C1)Br)Cl PI-20604 [0,2,0,0,0,0|2,0,0]=4 1372 B10R1.176 COC1=CC(=C(C=C1)Br)F PI-10453 [0,2,0,0,0,0|2,0,0]=4 1373 B10R1.176 COC1=CC(=C(C=C1)Cl)Br PI-33016 [0,2,0,0,0,0|2,0,0]=4 1374 B10R1.176 COC1=CC(=C(C=C1)N)O PI-34837 [0,2,0,0,0,0|2,0,0]=4 1375 B10R1.176 COC1=CC(=C(C=C1)O)Br PI-14462 [0,2,0,0,0,0|2,0,0]=4 1376 B10R1.176 COC1=CC(=C(C=C1)O)N PI-34807 [0,2,0,0,0,0|2,0,0]=4 1377 B10R1.176 COC1=CC(F)=C(O)C=C1 PI-40578 [0,2,0,0,0,0|2,0,0]=4 1378 B10R1.176 COC1=CC=C(Cl)C(F)=C1 PI-39520 [0,2,0,0,0,0|2,0,0]=4 1379 B10R1.176 COC1=CC=C(N)C(N)=C1 PI-12090 [0,2,0,0,0,0|2,0,0]=4 1380 B10R1.176 COC1=NC(=C(C=C1)N)N PI-10380 [0,2,0,0,0,0|1,0,0]=3 1381 B10R1.176 COC1=NC(=C(C=C1)N)N PI-33881 [0,2,0,0,0,0|1,0,0]=3 1382 B10R1.176 COC1=NC=C(C(=N1)Cl)F PI-45130 [0,2,0,0,0,0|2,0,0]=4 1383 B10R1.176 COc1ccc(c(c1)Cl)O PI-20143 [0,2,0,0,0,0|2,0,0]=4 1384 B10R1.176 COc1ccc(c(c1)F)F PI-28067 [0,2,0,0,0,0|2,0,0]=4 1385 B10R1.176 COc1ccc(c(c1)F)N PI-39131 [0,2,0,0,0,0|2,0,0]=4 1386 B10R1.176 COc1ccc(c(c1)N)Br PI-35266 [0,2,0,0,0,0|2,0,0]=4 1387 B10R1.176 COc1ccc(c(c1)N)N PI-29731 [0,2,0,0,0,0|2,0,0]=4 1388 B10R1.176 COc1ccc(c(n1)C)Br PI-38912 [0,2,0,0,0,0|0,0,0]=2 1389 B10R1.176 COc1cnc(c(n1)N)Br PI-38260 [0,2,0,0,0,0|2,0,0]=4 1390 B10R1.176 COc1ncc(c(c1)C)Br PI-38911 [0,2,0,0,0,0|2,0,0]=4 1391 B10R1.176 CSC1=CC(=C(C=C1)Cl)Cl PI-11888 [0,2,0,0,0,0|2,0,0]=4 1392 B10R1.176 N#Cc1ccc(c(c1)C)C PI-29364 [0,2,0,0,0,0|1,0,1]=4 1393 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [0,2,0,0,0,0|2,0,0]=4 1394 B10R1.176 NNc1ccc(c(c1)C)C PI-29749 [0,2,0,0,0,0|2,0,0]=4 1395 B10R1.176 OCc1ccc(c(c1)F)Br PI-39169 [0,2,0,0,0,0|2,0,0]=4 1396 B10R1.22 Brc1cc(C)c(c(c1)C)F PI-21493 [0,2,0,0,0,0|1,0,0]=3 1397 B10R1.22 CC1=C(Br)C(C)=CC(Cl)=C1 PI-46853 [0,2,0,0,0,0|1,0,0]=3 1398 B10R1.22 CC1=C(Br)C(C)=CC(I)=C1 PI-46854 [0,2,0,0,0,0|1,0,0]=3 1399 B10R1.22 CC1=C(C(=NC(=N1)C)Cl)Cl PI-45159 [0,2,0,0,0,0|1,0,0]=3 1400 B10R1.22 CC1=C(C(=NC(=N1)C)N)Cl PI-30429 [0,2,0,0,0,0|1,0,0]=3 1401 B10R1.22 CC1=C(C(=NC(=N1)Cl)C)Br PI-36359 [0,2,0,0,0,0|2,0,0]=4 1402 B10R1.22 CC1=C(C(=NC(=N1)Cl)Cl)N PI-47239 [0,2,0,0,0,0|2,0,0]=4 1403 B10R1.22 CC1=C(C(=NC(=N1)N)C)Br PI-16327 [0,2,0,0,0,0|2,0,0]=4 1404 B10R1.22 CC1=C(C(=O)NC(=N1)N)Br PI-13774 [0,2,0,0,0,0|2,0,0]=4 1405 B10R1.22 CC1=C(N=C(N=C1Cl)C)Cl PI-45113 [0,2,0,0,0,0|2,0,0]=4 1406 B10R1.22 CC1=C(N=C(NC1=O)N)C PI-30571 [0,2,0,0,0,0|2,0,0]=4 1407 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Br PI-11245 [0,2,0,0,0,0|2,0,0]=4 1408 B10R1.22 CC1=CC(=C(C(=C1)Br)N)C PI-21676 [0,2,0,0,0,0|1,0,0]=3 1409 B10R1.22 CC1=CC(=C(C(=C1)C)Cl)C PI-19184 [0,2,0,0,0,0|1,0,0]=3 1410 B10R1.22 CC1=CC(=C(C(=C1)C)I)C PI-27568 [0,2,0,0,0,0|1,0,0]=3 1411 B10R1.22 CC1=CC(=C(C(=C1)C)S)C PI-17216 [0,2,0,0,0,0|1,0,0]=3 1412 B10R1.22 CC1=CC(=C(C(=C1)N)O)C PI-27576 [0,2,0,0,0,0|1,0,0]=3 1413 B10R1.22 CC1=CC(=C(C(=C1)O)C)C PI-11725 [0,2,0,0,0,0|1,0,0]=3 1414 B10R1.22 CC1=CC(=C(C(=C1)O)O)O PI-19757 [0,2,0,0,0,0|2,0,0]=4 1415 B10R1.22 CC1=CC(=C([N+](=C1)[O-])C)C PI-42566 [0,2,0,0,0,0|2,0,0]=4 1416 B10R1.22 CC1=CC(=CC(=C1C)C)N PI-36166 [0,2,0,0,0,0|1,0,0]=3 1417 B10R1.22 CC1=CC(=CC(=C1Cl)C)F PI-19148 [0,2,0,0,0,0|1,0,0]=3 1418 B10R1.22 CC1=CC(=CC(=C1I)C)O PI-21959 [0,2,0,0,0,0|1,0,0]=3 1419 B10R1.22 CC1=CC(=CC(=C1N)Br)Br PI-11778 [0,2,0,0,0,0|2,0,0]=4 1420 B10R1.22 CC1=CC(=CC(=C1N)Br)F PI-21460 [0,2,0,0,0,0|2,0,0]=4 1421 B10R1.22 CC1=CC(=CC(=C1N)C)Br PI-12728 [0,2,0,0,0,0|1,0,0]=3 1422 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PI-30373 [0,2,0,0,0,0|1,0,0]=3 1423 B10R1.22 CC1=CC(=CC(=C1N)C)Cl PI-30732 [0,2,0,0,0,0|1,0,0]=3 1424 B10R1.22 CC1=CC(=CC(=C1N)C)I PI-32315 [0,2,0,0,0,0|1,0,0]=3 1425 B10R1.22 CC1=CC(=CC(=C1N)C)O PI-27461 [0,2,0,0,0,0|1,0,0]=3 1426 B10R1.22 CC1=CC(=CC(=C1N)Cl)Cl PI-30446 [0,2,0,0,0,0|2,0,0]=4 1427 B10R1.22 CC1=CC(=CC(=C1N)N)Br PI-19894 [0,2,0,0,0,0|2,0,0]=4 1428 B10R1.22 CC1=CC(=CC(=C1O)Br)F PI-42951 [0,2,0,0,0,0|2,0,0]=4 1429 B10R1.22 CC1=CC(=CC(=C1O)C)Cl PI-30067 [0,2,0,0,0,0|1,0,0]=3 1430 B10R1.22 CC1=CC(=CC(=C1O)C)I PI-21958 [0,2,0,0,0,0|1,0,0]=3 1431 B10R1.22 CC1=CC(=CC(=C1O)C)O PI-44190 [0,2,0,0,0,0|1,0,0]=3 1432 B10R1.22 CC1=CC(=[N+](C(=C1)C)[O-])C PI-42563 [0,2,0,0,0,0|0,0,1]=3 1433 B10R1.22 CC1=CC(Br)=C(Cl)C(Br)=C1 PI-46838 [0,2,0,0,0,0|2,0,0]=4 1434 B10R1.22 CC1=CC(N)=CC(C)=C1I PI-24054 [0,2,0,0,0,0|1,0,0]=3 1435 B10R1.22 CC1=NC(=C(C(=N1)Cl)F)Cl PI-45136 [0,2,0,0,0,0|2,0,0]=4 1436 B10R1.22 CC1=NC(=C(C(=N1)Cl)F)N PI-45154 [0,2,0,0,0,0|2,0,0]=4 1437 B10R1.22 CC1=NC(=C(C(=O)N1)Br)O PI-45156 [0,2,0,0,0,0|2,0,0]=4 1438 B10R1.22 CC1=NC(=C(C(=O)N1)F)O PI-45144 [0,2,0,0,0,0|2,0,0]=4 1439 B10R1.22 Cc1cc(C)c(Br)c(C)c1 PI-36916 [0,2,0,0,0,0|1,0,0]=3 1440 B10R1.22 Cc1cc(C)c(N)c(C)c1 PI-34167 [0,2,0,0,0,0|1,0,0]=3 1441 B10R1.22 Cc1cc(C)c(c(c1)Br)O PI-38211 [0,2,0,0,0,0|1,0,0]=3 1442 B10R1.22 Cc1cc(O)c(C)c(O)c1 PI-19644 [0,2,0,0,0,0|2,0,0]=4 1443 B10R1.22 Cc1nc(Cl)c(N)c(Cl)n1 PI-12022 [0,2,0,0,0,0|2,0,0]=4 1444 B10R1.22 Clc1cc(C)c(c(c1)Cl)I PI-19228 [0,2,0,0,0,0|2,0,0]=4 1445 B10R1.22 Clc1nc(C)c(c(n1)Cl)Br PI-36913 [0,2,0,0,0,0|2,0,0]=4 1446 B10R1.22 Fc1cc(C)c(c(c1)F)F PI-19105 [0,2,0,0,0,0|2,0,0]=4 1447 B10R1.22 O=C1C=C(C)C(=O)C(=C1)C PI-29659 [0,2,0,0,0,0|1,0,0]=3 1448 B10R1.22 Oc1cc(C)c(c(c1)C)Br PI-21392 [0,2,0,0,0,0|1,0,0]=3 1449 B10R1.119 CC1=C(C(=C(C=C1)C)F)C PI-19379 [0,2,0,0,0,0|1,0,0]=3 1450 B10R1.119 CC1=C(C(=C(C=C1)Cl)Br)Cl PI-21604 [0,2,0,0,0,0|2,0,0]=4 1451 B10R1.119 CC1=C(C(=C(C=C1)Cl)C)N PI-30403 [0,2,0,0,0,0|1,0,0]=3 1452 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PI-13570 [0,2,0,0,0,0|2,0,0]=4 1453 B10R1.119 CC1=C(C(=C(C=C1)N)Cl)O PI-16013 [0,2,0,0,0,0|2,0,0]=4 1454 B10R1.119 CC1=C(C(=C(C=C1)N)N)C PI-17413 [0,2,0,0,0,0|2,0,0]=4 1455 B10R1.119 CC1=C(C=CC(=C1C)F)N PI-19202 [0,2,0,0,0,0|2,0,0]=4 1456 B10R1.119 CC1=C(C=CC(=C1C)O)N PI-27460 [0,2,0,0,0,0|2,0,0]=4 1457 B10R1.119 CC1=C(C=CC(=C1Cl)Br)N PI-20643 [0,2,0,0,0,0|2,0,0]=4 1458 B10R1.119 CC1=C(C=CC(=C1Cl)Cl)Cl PI-34318 [0,2,0,0,0,0|2,0,0]=4 1459 B10R1.119 CC1=CC=C(Cl)C(Cl)=C1Cl PI-24595 [0,2,0,0,0,0|2,0,0]=4 1460 B10R1.119 Cc1ccc(F)c(F)c1F PI-33076 [0,2,0,0,0,0|2,0,0]=4 1461 B10R1.119 Fc1ccc(c(c1C)F)Br PI-19325 [0,2,0,0,0,0|2,0,0]=4 1462 B10R1.119 Oc1ccc(O)c(C)c1C PI-10300 [0,2,0,0,0,0|2,0,0]=4 1463 B10R1.245 CC1=C(C(=CC=C1)C)C#N PI-29833 [0,2,0,0,0,0|1,0,0]=3 1464 B10R1.245 CC1=C(C(=CC=C1)C)C=O PI-27082 [0,2,0,0,0,0|1,0,0]=3 1465 B10R1.245 CC1=C(C(=CC=C1)C)CO PI-19775 [0,2,0,0,0,0|1,0,0]=3 1466 B10R1.245 CC1=C(C(=CC=C1)C)NN PI-50511 [0,2,0,0,0,0|1,0,0]=3 1467 B10R1.245 CC1=CC=CC(Cl)=C1C=O PI-27105 [0,2,0,0,0,0|2,0,0]=4 1468 B10R1.245 ClCc1c(C)cccc1C PI-23826 [0,2,0,0,0,0|1,0,0]=3 1469 B10R1.245 N#Cc1c(C)cccc1F PI-34464 [0,2,0,0,0,0|2,0,0]=4 1470 B10R1.245 N#Cc1c(C)cccc1N PI-30717 [0,2,0,0,0,0|2,0,0]=4 1471 B10R1.245 NCc1c(C)cccc1C PI-39516 [0,2,0,0,0,0|1,0,0]=3 1472 B10R1.25 C1=NC(=NC(=C1CN)N)C PI-40746 [0,2,0,0,0,0|2,0,0]=4 1473 B10R1.25 CC1=C(C=CC(=C1)Br)C#N PI-22131 [0,2,0,0,0,0|2,0,0]=4 1474 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [0,2,0,0,0,0|2,0,0]=4 1475 B10R1.25 CC1=C(C=CC(=C1)Cl)NN PI-29295 [0,2,0,0,0,0|2,0,0]=4 1476 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [0,2,0,0,0,0|2,0,0]=4 1477 B10R1.25 CC1=C(C=CC(=C1)F)C#N PI-10521 [0,2,0,0,0,0|2,0,0]=4 1478 B10R1.25 CC1=C(C=CC(=C1)F)C=O PI-10459 [0,2,0,0,0,0|2,0,0]=4 1479 B10R1.25 CC1=C(C=CC(=N1)Cl)C#N PI-44536 [0,2,0,0,0,0|1,0,0]=3 1480 B10R1.25 CC1=CC(=C(C=C1)C#N)C PI-23422 [0,2,0,0,0,0|1,0,0]=3 1481 B10R1.25 CC1=CC(=C(C=C1)C#N)N PI-30405 [0,2,0,0,0,0|2,0,0]=4 1482 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [0,2,0,0,0,0|2,0,0]=4 1483 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [0,2,0,0,0,0|2,0,0]=4 1484 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [0,2,0,0,0,0|1,0,0]=3 1485 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [0,2,0,0,0,0|2,0,0]=4 1486 B10R1.25 CC1=CC(=C(C=C1)NN)C PI-29747 [0,2,0,0,0,0|1,0,0]=3 1487 B10R1.25 CC1=CC(=C(C=C1)NN)Cl PI-20171 [0,2,0,0,0,0|2,0,0]=4 1488 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [0,2,0,0,0,0|2,0,0]=4 1489 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [0,2,0,0,0,0|2,0,0]=4 1490 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [0,2,0,0,0,0|2,0,0]=4 1491 B10R1.25 CC1=CC(=C(C=C1)[N+]#[C-])Br PI-22160 [0,2,0,0,0,0|2,0,0]=4 1492 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [0,2,0,0,0,0|2,0,0]=4 1493 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [0,2,0,0,0,0|2,0,0]=4 1494 B10R1.25 CCC1=C(N=C(C=C1)C)N PI-30602 [0,2,0,0,0,0|1,0,0]=3 1495 B10R1.25 CSc1ccc(cc1C)O PI-18452 [0,2,0,0,0,0|2,0,0]=4 1496 B10R1.25 Cc1ccc(c(n1)Cl)C#N PI-17315 [0,2,0,0,0,0|1,0,0]=3 1497 B10R1.25 Cc1ccc(c(n1)Cl)CO PI-36936 [0,2,0,0,0,0|1,0,0]=3 1498 B10R1.25 ClC1=NC(=CC=C1C=O)Cl PI-41418 [0,2,0,0,0,0|2,0,0]=4 1499 B10R1.25 N#Cc1ccc(cc1F)C PI-28867 [0,2,0,0,0,0|2,0,0]=4 1500 B10R1.25 N#Cc1cnc(nc1N)C PI-14073 [0,2,0,0,0,0|2,0,0]=4 1501 B10R1.25 NCc1ccc(cc1C)C PI-27988 [0,2,0,0,0,0|1,0,0]=3 1502 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [0,2,0,0,0,0|2,0,0]=4 1503 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [0,2,0,0,0,0|1,0,0]=3 1504 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [0,2,0,0,0,0|2,0,0]=4 1505 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [0,2,0,0,0,0|2,0,0]=4 1506 B10R1.25 OCc1ccc(cc1C)C PI-38556 [0,2,0,0,0,0|1,0,0]=3 1507 B10R1.25 [C-]#[N+]c1ccc(F)cc1C PI-23767 [0,2,0,0,0,0|2,0,0]=4 1508 B10R1.118 Brc1cc(Br)c(Br)cc1C PI-30476 [0,2,0,0,0,0|2,0,0]=4 1509 B10R1.118 Brc1cc(F)c(F)cc1C PI-19963 [0,2,0,0,0,0|2,0,0]=4 1510 B10R1.118 C1=C(C(=NC(=C1Cl)Cl)Cl)Cl PI-16739 [0,2,0,0,0,0|2,0,0]=4 1511 B10R1.118 C1=C(C(=NC(=C1F)F)F)F PI-40867 [0,2,0,0,0,0|2,0,0]=4 1512 B10R1.118 C1=C(C(=NC(=C1F)N)N)F PI-42366 [0,2,0,0,0,0|2,0,0]=4 1513 B10R1.118 CC1=C(C)N=C(C)C(C)=N1 PI-42737 [0,2,0,0,0,0|1,0,0]=3 1514 B10R1.118 CC1=CC(=C(C=C1Br)C)Br PI-33682 [0,2,0,0,0,0|2,0,0]=4 1515 B10R1.118 CC1=CC(=C(C=C1Br)N)F PI-43271 [0,2,0,0,0,0|2,0,0]=4 1516 B10R1.118 CC1=CC(=C(C=C1C)N)N PI-30467 [0,2,0,0,0,0|2,0,0]=4 1517 B10R1.118 CC1=CC(=C(C=C1C)S)C PI-17211 [0,2,0,0,0,0|1,0,0]=3 1518 B10R1.118 CC1=CC(=C(C=C1Cl)C)S PI-17574 [0,2,0,0,0,0|2,0,0]=4 1519 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)Cl PI-19822 [0,2,0,0,0,0|2,0,0]=4 1520 B10R1.118 CC1=CC(=C(C=C1Cl)N)N PI-19789 [0,2,0,0,0,0|2,0,0]=4 1521 B10R1.118 CC1=CC(=C(C=C1F)Cl)Br PI-20637 [0,2,0,0,0,0|2,0,0]=4 1522 B10R1.118 CC1=CC(=C(C=C1F)N)Br PI-21461 [0,2,0,0,0,0|2,0,0]=4 1523 B10R1.118 CC1=CC(=C(C=C1I)C)O PI-21957 [0,2,0,0,0,0|2,0,0]=4 1524 B10R1.118 CC1=CC(=C(C=C1O)C)N PI-27462 [0,2,0,0,0,0|2,0,0]=4 1525 B10R1.118 CC1=CC(=C(N=C1Br)Br)Br PI-28485 [0,2,0,0,0,0|2,0,0]=4 1526 B10R1.118 CC1=CC(=O)C(=CC1=O)Cl PI-19280 [0,2,0,0,0,0|2,0,0]=4 1527 B10R1.118 CC1=NC(=C(C=C1Br)Br)N PI-13316 [0,2,0,0,0,0|1,0,0]=3 1528 B10R1.118 Cc1cc(Br)c(cc1C)Br PI-19362 [0,2,0,0,0,0|2,0,0]=4 1529 B10R1.118 Cc1cc(I)c(cc1I)C PI-19056 [0,2,0,0,0,0|2,0,0]=4 1530 B10R1.118 Cc1nc(C)c(nc1C)C PI-14239 [0,2,0,0,0,0|1,0,0]=3 1531 B10R1.118 Fc1cc(Br)c(cc1C)Cl PI-20636 [0,2,0,0,0,0|2,0,0]=4 1532 B10R1.118 Fc1cc(Cl)c(cc1C)N PI-28095 [0,2,0,0,0,0|2,0,0]=4 1533 B10R1.118 Nc1cc(F)c(Br)cc1C PI-21463 [0,2,0,0,0,0|2,0,0]=4 1534 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [0,0,1,1,0,0|2,0,0]=4 1535 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [0,0,1,1,0,0|2,0,0]=4 1536 B10R2.31 BrC1=CC2=C(CC2)C=C1 PI-37003 [0,1,0,1,0,0|2,0,0]=4 1537 B10R2.31 NC1=CC=C2CCC2=C1 PI-40931 [0,1,0,1,0,0|2,0,0]=4 1538 B10R2.31 OC1=CC=C2CCC2=C1 PI-42598 [0,1,0,1,0,0|2,0,0]=4 1539 B6R1.2 Brc1c[nH]cn1 PI-31938 [1,0,0,0,1,0|2,0,0]=4 1540 B6R1.2 Brc1ccco1 PI-14449 [1,0,0,0,1,0|2,0,0]=4 1541 B6R1.2 Brc1cccs1 PI-11144 [1,0,0,0,1,0|2,0,0]=4 1542 B6R1.2 Brc1cscc1 PI-10760 [1,0,0,0,1,0|2,0,0]=4 1543 B6R1.2 Brc1cscn1 PI-38310 [1,0,0,0,1,0|2,0,0]=4 1544 B6R1.2 Brc1ncc[nH]1 PI-39207 [1,0,0,0,1,0|2,0,0]=4 1545 B6R1.2 C1=CN=C(N1)N PI-11170 [1,0,0,0,1,0|2,0,0]=4 1546 B6R1.2 C1=CN=C(N1)N PI-45241 [1,0,0,0,1,0|2,0,0]=4 1547 B6R1.2 C1=CN=C(N1)N PI-45281 [1,0,0,0,1,0|2,0,0]=4 1548 B6R1.2 C1=CNC=C1F PI-49258 [1,0,0,0,1,0|2,0,0]=4 1549 B6R1.2 C1=CSC(=N1)Br PI-11814 [1,0,0,0,1,0|2,0,0]=4 1550 B6R1.2 C1=CSC=C1F PI-49323 [1,0,0,0,1,0|2,0,0]=4 1551 B6R1.2 CC1=CC=CS1 PI-11146 [1,0,0,0,1,0|1,0,0]=3 1552 B6R1.2 CC1=CN=CN1 PI-44758 [1,0,0,0,1,0|1,0,1]=4 1553 B6R1.2 CC1=COC=C1 PI-41011 [1,0,0,0,1,0|1,0,0]=3 1554 B6R1.2 Cc1c[nH]nc1 PI-34810 [1,0,0,0,1,0|2,0,0]=4 1555 B6R1.2 Cc1cc[nH]n1 PI-31344 [1,0,0,0,1,0|1,0,0]=3 1556 B6R1.2 Cc1cncs1 PI-33497 [1,0,0,0,1,0|2,0,0]=4 1557 B6R1.2 Cc1nc[nH]n1 PI-40309 [1,0,0,0,1,0|2,0,0]=4 1558 B6R1.2 Cc1nccs1 PI-11132 [1,0,0,0,1,0|1,0,0]=3 1559 B6R1.2 ClC1=CSC=C1 PI-11160 [1,0,0,0,1,0|2,0,0]=4 1560 B6R1.2 Clc1ncc[nH]1 PI-20136 [1,0,0,0,1,0|2,0,0]=4 1561 B6R1.2 Clc1nccs1 PI-39297 [1,0,0,0,1,0|2,0,0]=4 1562 B6R1.2 Cn1cccn1 PI-37584 [1,0,0,0,1,0|1,0,0]=3 1563 B6R1.2 Cn1cncc1 PI-31809 [1,0,0,0,1,0|2,0,0]=4 1564 B6R1.2 Cn1cncn1 PI-37321 [1,0,0,0,1,0|2,0,0]=4 1565 B6R1.2 Ic1c[nH]cn1 PI-31936 [1,0,0,0,1,0|2,0,0]=4 1566 B6R1.2 Ic1cc[nH]n1 PI-39060 [1,0,0,0,1,0|2,0,0]=4 1567 B6R1.2 Ic1cccs1 PI-11145 [1,0,0,0,1,0|2,0,0]=4 1568 B6R1.2 NC1=NC=CO1 PI-40002 [1,0,0,0,1,0|2,0,0]=4 1569 B6R1.2 NC1=NOC=C1 PI-13009 [1,0,0,0,1,0|2,0,0]=4 1570 B6R1.2 Sc1cccs1 PI-27908 [1,0,0,0,1,0|2,0,0]=4 1571 B6R1.2 Sc1nccs1 PI-11130 [1,0,0,0,1,0|2,0,0]=4