0 B8R1.7 C1=C(N=NS1)C(=O)O PI-28513 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [0,0,0,0,0,0|3,1,0]=4 3 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [0,0,0,0,0,0|2,1,0]=3 8 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.7 C1=COC=C1C(=O)O PI-16502 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.7 C1=CON=C1C(=O)O PI-48871 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] PI-10995 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.7 C1=CSC(=N1)C(=N)N PI-45383 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [0,0,0,0,0,0|0,0,0]=0 17 B8R1.7 C1C=CCC1C(=O)O PI-33725 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [0,0,0,0,0,0|1,0,1]=2 19 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [0,0,0,0,0,0|2,0,1]=3 22 B8R1.7 CC(=O)C1=NCCS1 PI-42267 [0,0,0,0,0,0|0,0,2]=2 23 B8R1.7 CC(=O)c1cscc1 PI-16499 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.7 CC(=O)n1cncc1 PI-31807 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.7 CC(C)C1=NC=CN1 PI-31819 [0,0,0,0,0,0|2,0,1]=3 26 B8R1.7 CC(C1=CC=CS1)O PI-12508 [0,0,0,0,0,0|1,0,2]=3 27 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [0,0,0,0,0,0|1,0,0]=1 29 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.7 CC(c1cc[nH]n1)C PI-34763 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [0,0,0,0,0,0|1,0,2]=3 32 B8R1.7 ClC(=O)c1cscc1 PI-10762 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.7 NC(=N)n1cccn1 PI-16548 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.7 NC(=O)c1ncn[nH]1 PI-10146 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.7 NC(=S)c1ccco1 PI-19230 [0,0,0,0,0,0|2,2,0]=4 36 B8R1.7 NC(=S)c1cccs1 PI-39110 [0,0,0,0,0,0|2,1,0]=3 37 B8R1.7 OB(c1cccs1)O PI-16529 [0,0,0,0,0,0|3,0,1]=4 38 B8R1.7 OC(=O)C1=CNN=N1 PI-40359 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [0,0,0,0,0,0|2,0,1]=3 41 B8R1.7 OC(=O)c1cccs1 PI-38239 [0,0,0,0,0,0|2,0,0]=2 42 B8R1.7 OC(=O)c1ccno1 PI-29335 [0,0,0,0,0,0|3,1,0]=4 43 B8R1.7 OC(=O)c1cocn1 PI-43182 [0,0,0,0,0,0|3,0,0]=3 44 B8R1.7 OC(=O)c1cscc1 PI-10764 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.7 OC(=O)c1cscn1 PI-28011 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.7 OC(=O)c1n[nH]cn1 PI-10407 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.7 OC(=O)n1scc[nH]1 PI-29827 [0,0,0,0,0,0|2,0,1]=3 48 B8R1.7 [O-][N+](=O)c1cc[nH]n1 PI-36856 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.7 [O-][N+](=O)c1n[nH]cn1 PI-31126 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.7 [O-][N+](=O)c1ncc[nH]1 PI-10202 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.7 [O-][N+](=O)n1cccn1 PI-16557 [0,0,0,0,0,0|4,0,0]=4 52 B7R1.1 C#CC1=CC=CS1 PI-44556 [1,0,0,0,0,0|1,0,2]=4 53 B7R1.1 C1=C(N=CS1)C=O PI-25454 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.1 C1=C(N=NS1)C=O PI-29425 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 C1=C(NC=N1)C=O PI-34783 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.1 C1=CNC=C1C=O PI-34088 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 C1=CSC(=C1)C=O PI-44709 [1,0,0,0,0,0|1,0,0]=2 58 B7R1.1 C1=CSC(=C1)CCl PI-50490 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.1 C1=CSC(=C1)CO PI-11151 [1,0,0,0,0,0|1,0,2]=4 60 B7R1.1 C1=CSC(=N1)C#N PI-40537 [1,0,0,0,0,0|1,0,1]=3 61 B7R1.1 C1=CSC(=N1)CN PI-45385 [1,0,0,0,0,0|1,0,1]=3 62 B7R1.1 C1=CSC(=N1)NN PI-44075 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.1 CCC1=CC=CS1 PI-10993 [1,0,0,0,0,0|1,0,1]=3 64 B7R1.1 CCc1ncc[nH]1 PI-31817 [1,0,0,0,0,0|1,0,1]=3 65 B7R1.1 CCn1cccn1 PI-35920 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 COC1=NC=CS1 PI-11131 [1,0,0,0,0,0|1,0,0]=2 67 B7R1.1 COc1cccs1 PI-33573 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.1 N#Cc1cccs1 PI-10787 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.1 NCc1cccs1 PI-11152 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.1 NNC1=NC=CS1 PI-41794 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 O=CC1=NC=CO1 PI-39572 [1,0,0,0,0,0|0,1,0]=2 72 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [1,0,0,0,0,0|1,0,1]=3 74 B7R1.1 O=Cc1cnco1 PI-38922 [1,0,0,0,0,0|2,1,0]=4 75 B7R1.1 O=Cc1cncs1 PI-25019 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 O=Cc1cscc1 PI-10763 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [1,0,0,0,0,0|1,0,0]=2 78 B7R1.1 O=Cc1nccs1 PI-11133 [1,0,0,0,0,0|0,0,0]=1 79 B7R1.1 OCC1=NC=CN1 PI-36879 [1,0,0,0,0,0|1,0,2]=4 80 B7R1.1 OCc1nccs1 PI-38807 [1,0,0,0,0,0|0,0,2]=3 81 B9R1.11 C1=CSC(=C1)C(=NO)N PI-29669 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.11 C1=CSC(=C1)C(=O)CCl PI-29443 [0,1,0,0,0,0|1,0,0]=2 83 B9R1.11 C1=CSC(=N1)C(=O)CBr PI-45387 [0,1,0,0,0,0|0,0,0]=1 84 B9R1.11 C1=CSC=C1C(=O)CBr PI-29147 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.11 C1=NNC(=N1)C(=O)NN PI-28276 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.11 CCC(=O)C1=NC=CS1 PI-48498 [0,1,0,0,0,0|0,0,0]=1 88 B9R1.11 CCC(=O)c1ccco1 PI-17052 [0,1,0,0,0,0|1,1,0]=3 89 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [0,1,0,0,0,0|1,1,0]=3 90 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.11 COC(=O)C1=NC=NN1 PI-16818 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.11 COC(=O)C1=NNN=C1 PI-44893 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.11 COC(=O)C1=NNN=C1 PI-44918 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.11 COC(=O)C1CC=CC1 PI-37831 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.11 COC(=O)c1cccs1 PI-30692 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.11 NNC(=O)c1ccco1 PI-28398 [0,1,0,0,0,0|2,1,0]=4 100 B9R1.11 NNC(=O)c1cccs1 PI-18375 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [0,1,0,0,0,0|1,0,1]=3 102 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.19 C1=CSC(=C1)S(=O)(=O)N PI-29805 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.19 CS(=O)(=O)C1=CC=CS1 PI-29538 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.19 C[Si](C)(C)C1=CC=CS1 PI-24187 [0,1,0,0,0,0|2,1,0]=4 106 B9R1.19 C[Si](C)(C)C1=NC=CS1 PI-35343 [0,1,0,0,0,0|1,1,0]=3 107 B9R1.19 ClS(=O)(=O)c1cccs1 PI-24139 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.35 C1(=NN=C(S1)Br)[N+](=O)[O-] PI-50061 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [0,1,0,0,0,0|1,0,0]=2 111 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [0,1,0,0,0,0|2,1,0]=4 113 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,1,0,0,0,0|2,1,0]=4 114 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,1,0,0,0,0|2,1,0]=4 115 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.35 C1=C(SC(=C1)Br)[N+](=O)[O-] PI-16497 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.35 C1=C(SC(=N1)Br)C(=O)O PI-25655 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.35 CC(=O)C1=NC=C(S1)Br PI-43922 [0,1,0,0,0,0|0,0,0]=1 126 B9R1.35 CC(=O)N1C=C(C=N1)I PI-31343 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.35 CC(C1=CN=C(N)S1)=O PI-46739 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,1,0,0,0,0|2,1,0]=4 131 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,1,0,0,0,0|2,1,0]=4 132 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.35 Cc1csc(n1)C(C)C PI-11128 [0,1,0,0,0,0|1,0,1]=3 137 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.35 O=C(C1=NN=C(C)S1)[O-] PI-40879 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,1,0,0,0,0|2,0,1]=4 143 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.41 C1=CSC(=C1Br)C(=O)Cl PI-29405 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.41 C1=CSC(=C1Cl)C(=O)Cl PI-20245 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.41 C1=CSC(=C1Cl)C(=O)N PI-29148 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.41 C1=NC(=C(S1)N)C(=O)N PI-48355 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [0,1,0,0,0,0|1,0,0]=2 153 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [0,1,0,0,0,0|1,0,1]=3 154 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [0,1,0,0,0,0|2,1,0]=4 155 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.41 CC1=C(SC=N1)C(=O)O PI-11138 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.41 CN1C=CN=C1C(=O)O PI-45034 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.41 NC(=O)c1nc[nH]c1N PI-36874 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.41 NC(=O)c1sccc1N PI-14136 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.41 OC(=O)c1occc1Br PI-39205 [0,1,0,0,0,0|2,1,0]=4 164 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [0,0,1,0,0,0|3,0,0]=4 166 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,0,0,0,0,1|3,0,0]=4 167 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,0,0,0,0,1|2,0,0]=3 168 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,0,0,0,0,1|2,0,0]=3 169 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [0,0,0,0,0,1|2,1,0]=4 170 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [0,0,0,0,0,1|2,0,0]=3 171 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,0,0,0,0,1|2,0,0]=3 173 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,0,0,0,1|2,0,0]=3 174 B9R1.6 C1=CN=C(C=N1)C(=N)N PI-33861 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.6 C1=CN=C(N=C1)C(=N)N PI-45842 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,0,0,0,0,1|2,0,0]=3 180 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,0,0,0,1|1,0,0]=2 181 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [0,0,0,0,0,1|2,0,0]=3 182 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [0,0,0,0,0,1|1,0,0]=2 183 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [0,0,0,0,0,1|1,0,0]=2 184 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,0,0,0,1|1,0,0]=2 185 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [0,0,0,0,0,1|2,0,1]=4 187 B9R1.6 CC(c1ccccn1)N PI-38576 [0,0,0,0,0,1|2,0,1]=4 188 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [0,0,0,0,0,1|2,0,1]=4 189 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,0,0,0,0,1|1,0,2]=4 190 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,0,0,0,0,1|1,0,2]=4 191 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,0,0,0,0,1|2,0,0]=3 192 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,0,0,0,0,1|2,0,0]=3 196 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,0,0,0,1|2,0,0]=3 197 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,0,0,0,0,1|2,0,0]=3 198 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,0,0,0,0,1|2,0,0]=3 199 B9R1.13 C1=CN(N=C1)CC(=O)O PI-35655 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.13 C1=CSC(=C1)CC(=O)Cl PI-11881 [0,0,0,0,0,1|2,0,0]=3 201 B9R1.13 CC(=O)NC1=CC=CS1 PI-12512 [0,0,0,0,0,1|1,0,0]=2 202 B9R1.13 CC(=O)NC1=NC=CS1 PI-26514 [0,0,0,0,0,1|0,0,0]=1 203 B9R1.13 CC(C)CC1=NC=CS1 PI-11127 [0,0,0,0,0,1|1,0,1]=3 204 B9R1.13 CC(N)CC1=CC=CS1 PI-40008 [0,0,0,0,0,1|2,0,1]=4 205 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.13 OC(=O)Cc1c[nH]cn1 PI-21909 [0,0,0,0,0,1|3,0,0]=4 207 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [0,0,0,0,0,1|2,0,0]=3 208 B6R1.2 Brc1cccs1 PI-11144 [2,0,0,0,0,0|2,0,0]=4 209 B6R1.2 Brc1ncc[nH]1 PI-39207 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.2 C1=CN=C(N1)N PI-11170 [2,0,0,0,0,0|2,0,0]=4 211 B6R1.2 C1=CN=C(N1)N PI-45241 [2,0,0,0,0,0|2,0,0]=4 212 B6R1.2 C1=CN=C(N1)N PI-45281 [2,0,0,0,0,0|2,0,0]=4 213 B6R1.2 C1=CSC(=N1)Br PI-11814 [2,0,0,0,0,0|1,0,0]=3 214 B6R1.2 C1=NSC(=N1)N PI-31532 [2,0,0,0,0,0|2,0,0]=4 215 B6R1.2 CC1=CC=CS1 PI-11146 [2,0,0,0,0,0|1,0,0]=3 216 B6R1.2 Cc1cc[nH]n1 PI-31344 [2,0,0,0,0,0|2,0,0]=4 217 B6R1.2 Cc1cncs1 PI-33497 [2,0,0,0,0,0|2,0,0]=4 218 B6R1.2 Cc1nc[nH]n1 PI-40309 [2,0,0,0,0,0|2,0,0]=4 219 B6R1.2 Cc1nccs1 PI-11132 [2,0,0,0,0,0|0,0,0]=2 220 B6R1.2 ClC1=NC=NS1 PI-31535 [2,0,0,0,0,0|2,0,0]=4 221 B6R1.2 Clc1ncc[nH]1 PI-20136 [2,0,0,0,0,0|2,0,0]=4 222 B6R1.2 Clc1nccs1 PI-39297 [2,0,0,0,0,0|1,0,0]=3 223 B6R1.2 Cn1cccn1 PI-37584 [2,0,0,0,0,0|2,0,0]=4 224 B6R1.2 Ic1cccs1 PI-11145 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.2 NC1=NC=CO1 PI-40002 [2,0,0,0,0,0|1,1,0]=4 226 B6R1.2 Nc1nncs1 PI-16257 [2,0,0,0,0,0|2,0,0]=4 227 B6R1.2 O=C1CC=CC1 PI-38266 [2,0,0,0,0,0|2,0,0]=4 228 B6R1.2 O=c1occo1 PI-15331 [2,0,0,0,0,0|1,1,0]=4 229 B6R1.2 Sc1cccs1 PI-27908 [2,0,0,0,0,0|1,1,0]=4 230 B6R1.2 Sc1nccs1 PI-11130 [2,0,0,0,0,0|0,1,0]=3 231 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [0,1,1,0,0,0|2,0,0]=4 232 B8R1.1 Brc1cc(oc1)C=O PI-21495 [1,1,0,0,0,0|1,1,0]=4 233 B8R1.1 Brc1cc(sc1)C=O PI-16278 [1,1,0,0,0,0|1,0,0]=3 234 B8R1.1 Brc1ccc(C=O)o1 PI-31098 [1,1,0,0,0,0|1,1,0]=4 235 B8R1.1 Brc1ccc(C=O)s1 PI-35909 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.1 Brc1cnc(s1)C=O PI-39227 [1,1,0,0,0,0|0,0,0]=2 237 B8R1.1 Brc1ncc(s1)C=O PI-25590 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.1 C1=C(OC(=C1)I)C=O PI-31133 [1,1,0,0,0,0|1,1,0]=4 239 B8R1.1 C1=C(SC(=C1)Cl)C=O PI-30886 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.1 C1=C(SC(=N1)N)C=O PI-14095 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [1,1,0,0,0,0|1,1,0]=4 242 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [1,1,0,0,0,0|1,0,0]=3 243 B8R1.1 CC1=NC(=CS1)C=O PI-39568 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.1 CCC1=NC(=CS1)C PI-11124 [1,1,0,0,0,0|0,0,1]=3 245 B8R1.1 CCC1=NC=C(N1)C PI-31806 [1,1,0,0,0,0|1,0,1]=4 246 B8R1.1 CCC1=NN=C(S1)N PI-17273 [1,1,0,0,0,0|1,0,1]=4 247 B8R1.1 CSC1=NC(=NS1)Br PI-22183 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.1 CSC1=NC(=O)NS1 PI-20811 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.1 C[N]1C=CC(=N1)C=O PI-39712 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.1 Cn1cc(nc1)C=O PI-39321 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.1 O=CC1=CN=C(C)S1 PI-39711 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.1 O=CC1=CN=C(Cl)S1 PI-41521 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.1 O=CC1=CSC(Br)=N1 PI-25631 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.1 SC1=NN=C(NC)S1 PI-37181 [1,1,0,0,0,0|2,0,0]=4 256 B8R1.8 CCCC1=NC=CN1 PI-24452 [1,1,0,0,0,0|1,0,1]=4 257 B8R1.8 CCOC1=NC=CS1 PI-11123 [1,1,0,0,0,0|0,0,1]=3 258 B8R1.8 NCCc1cccs1 PI-11168 [1,1,0,0,0,0|1,0,1]=4 259 B8R1.8 O=C=Nc1cccs1 PI-27322 [1,1,0,0,0,0|1,0,1]=4 260 B8R1.8 OCCc1cccs1 PI-11150 [1,1,0,0,0,0|1,0,1]=4 261 B8R1.11 C1=CSC(=C1Br)C=O PI-22616 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.11 C1=CSC(=C1Cl)C=O PI-42060 [1,1,0,0,0,0|1,0,0]=3 263 B8R1.11 C1=NC(=C(S1)C=O)Cl PI-34872 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.11 CC1=C(N=CN1)C=O PI-45102 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.11 CN1C=CC=C1C=O PI-33707 [1,1,0,0,0,0|1,0,1]=4 267 B8R1.11 Cc1ncsc1C=O PI-11136 [1,1,0,0,0,0|2,0,0]=4 268 B8R1.11 O=Cc1nccn1C PI-16496 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [0,1,0,0,0,1|1,0,0]=3 280 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,1,0,0,0,1|1,0,0]=3 281 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,1,0,0,0,1|2,0,0]=4 282 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,1,0,0,0,1|1,0,0]=3 285 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,1,0,0,0,1|2,0,0]=4 286 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [0,1,0,0,0,1|2,0,0]=4 288 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [0,1,0,0,0,1|2,0,0]=4 289 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,1,0,0,0,1|1,0,0]=3 295 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,1,0,0,0,1|1,0,0]=3 297 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.15 C1=CN=C(C=N1)C(=O)NN PI-35467 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,1,0,0,0,1|2,0,0]=4 300 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [0,1,0,0,0,1|1,0,0]=3 303 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [0,1,0,0,0,1|1,0,0]=3 304 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [0,1,0,0,0,1|1,0,0]=3 305 B10R1.15 COC(=O)c1ccccn1 PI-33273 [0,1,0,0,0,1|1,0,0]=3 306 B10R1.15 COC(=O)c1ccncn1 PI-36498 [0,1,0,0,0,1|1,0,0]=3 307 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [0,1,0,0,0,1|2,0,0]=4 309 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,1,0,0,0,1|2,0,0]=4 310 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [0,1,0,0,0,1|2,0,0]=4 311 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,1,0,0,0,1|2,0,0]=4 312 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [0,1,0,0,0,1|2,0,0]=4 313 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [0,1,0,0,0,1|2,0,0]=4 314 B10R1.61 C1=CN=C(C(=O)N1)C(=O)[NH-] PI-49791 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.61 CC1=NC=CN=C1C(=O)C PI-11038 [0,1,0,0,0,1|1,0,0]=3 326 B10R1.61 NC(=O)c1nccnc1N PI-38832 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.61 NC(=O)c1nccnc1O PI-38271 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,1,0,0,0,1|2,0,0]=4 329 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.61 OC(=O)c1nccnc1Cl PI-29423 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.61 OC(=O)c1nccnc1O PI-29323 [0,1,0,0,0,1|2,0,0]=4 341 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,1,0,0,0,1|2,0,0]=4 342 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,1,0,0,0,1|2,0,0]=4 343 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,1,0,0,0,1|2,0,0]=4 348 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,1,0,0,0,1|1,0,0]=3 353 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.113 Cc1ncnc(c1)C(=O)C PI-35999 [0,1,0,0,0,1|1,0,0]=3 359 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.113 O=C(C1=NC(Cl)=CN=C1)O PI-37167 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.23 OC(=O)C(=O)c1cccs1 PI-12233 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.27 COC(=O)CC1=CC=CS1 PI-50442 [0,1,0,0,0,1|1,0,0]=3 372 B10R1.54 C1=C(N=C(S1)CC(=O)N)O PI-20872 [0,1,0,0,0,1|1,0,0]=3 373 B10R1.54 CC(=O)Cc1cnc(s1)N PI-15461 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.54 CC(=O)NC1=NC=C(S1)Cl PI-26276 [0,1,0,0,0,1|0,0,0]=2 375 B10R1.54 CC(=O)NC1=NN=C(S1)Cl PI-45384 [0,1,0,0,0,1|1,0,0]=3 376 B10R1.54 CC(=O)NC1=NNC(=S)S1 PI-11024 [0,1,0,0,0,1|1,0,0]=3 377 B10R1.54 CC(=O)Nc1scc(C)n1 PI-17263 [0,1,0,0,0,1|0,0,0]=2 378 B10R1.54 CC1=CSC(=C1)CC(=O)C PI-48378 [0,1,0,0,0,1|1,0,0]=3 379 B10R1.54 CC1=CSC(=N1)CC(C)C PI-11126 [0,1,0,0,0,1|1,0,1]=4 380 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O PI-40025 [0,2,0,0,0,0|1,0,0]=3 381 B10R1.11 CC(=NOC)C1=CC=CS1 PI-29069 [0,2,0,0,0,0|1,0,1]=4 382 B10R1.11 CCCC(=O)C1=CC=CO1 PI-19566 [0,2,0,0,0,0|1,1,0]=4 383 B10R1.11 CCOC(=O)C1=CC=CO1 PI-45416 [0,2,0,0,0,0|1,1,0]=4 384 B10R1.11 CCOC(=O)C1=CSC=N1 PI-25161 [0,2,0,0,0,0|2,0,0]=4 385 B10R1.11 CCOC(=O)c1cc[nH]n1 PI-39369 [0,2,0,0,0,0|2,0,0]=4 386 B10R1.11 CCOC(=O)c1ccc[nH]1 PI-19322 [0,2,0,0,0,0|1,0,1]=4 387 B10R1.11 CCOC(=O)c1cccs1 PI-11165 [0,2,0,0,0,0|1,0,0]=3 388 B10R1.11 N#CCC(=O)c1ccco1 PI-29476 [0,2,0,0,0,0|1,1,0]=4 389 B10R1.11 N#CCC(=O)c1cccs1 PI-29493 [0,2,0,0,0,0|1,0,0]=3 390 B10R1.14 C1=C(C(OC)=O)N=C(S1)Cl PI-41958 [0,2,0,0,0,0|2,0,0]=4 391 B10R1.14 C1=C(SC(=C1)Br)C(=O)CBr PI-20587 [0,2,0,0,0,0|1,0,0]=3 392 B10R1.14 C1=C(SC(=C1)Br)C(=O)NN PI-22618 [0,2,0,0,0,0|2,0,0]=4 393 B10R1.14 C1=C(SC(=C1)Cl)C(=O)NN PI-29504 [0,2,0,0,0,0|2,0,0]=4 394 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [0,2,0,0,0,0|1,1,0]=4 395 B10R1.14 CC1=NC(=CO1)C(=O)OC PI-48165 [0,2,0,0,0,0|2,0,0]=4 396 B10R1.14 CCC(=O)C1=CC=C(O1)C PI-17359 [0,2,0,0,0,0|1,1,0]=4 397 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [0,2,0,0,0,0|1,1,0]=4 398 B10R1.14 COC(=O)C1=CC=C(S1)Cl PI-45460 [0,2,0,0,0,0|1,0,0]=3 399 B10R1.14 COC(=O)C1=CN=C(S1)Br PI-25654 [0,2,0,0,0,0|2,0,0]=4 400 B10R1.14 COC(=O)C1=CSC(=N1)Br PI-25237 [0,2,0,0,0,0|2,0,0]=4 401 B10R1.14 COC(=O)C1=CSC(=N1)N PI-16259 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.14 COC(=O)c1cc([nH]n1)N PI-39462 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [0,2,0,0,0,0|1,0,1]=4 404 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [0,2,0,0,0,0|1,0,0]=3 405 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [0,2,0,0,0,0|1,0,0]=3 406 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [0,2,0,0,0,0|1,0,1]=4 407 B10R1.14 COC(=O)c1cnc(s1)N PI-25778 [0,2,0,0,0,0|2,0,0]=4 408 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [0,2,0,0,0,0|1,0,0]=3 409 B10R1.14 ClCC(=O)c1ccc(Br)s1 PI-22620 [0,2,0,0,0,0|1,0,0]=3 410 B10R1.14 Clc1ccc(s1)C(=O)CBr PI-20667 [0,2,0,0,0,0|1,0,0]=3 411 B10R1.14 O=C(C1=CSC(C)=N1)OC PI-40824 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.149 CC1=C(OC=C1)C(=O)OC PI-30773 [0,2,0,0,0,0|1,1,0]=4 413 B10R1.149 CC1=C(SC=C1)C(=O)OC PI-29927 [0,2,0,0,0,0|1,0,0]=3 414 B10R1.149 CC1=C(SC=N1)C(=O)OC PI-11143 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.149 CN1C=CC=C1C(=O)OC PI-31682 [0,2,0,0,0,0|1,0,1]=4 416 B10R1.149 CN1C=CN=C1C(=O)OC PI-45283 [0,2,0,0,0,0|1,0,0]=3 417 B10R1.149 COC(=O)C1=C(C=CS1)Br PI-29410 [0,2,0,0,0,0|1,0,0]=3 418 B10R1.149 COC(=O)C1=C(C=CS1)Cl PI-29957 [0,2,0,0,0,0|1,0,0]=3 419 B10R1.149 COC(=O)c1sccc1N PI-31111 [0,2,0,0,0,0|1,0,0]=3 420 B10R1.149 COC(=O)c1sccc1O PI-18017 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.149 O=C(C1=C(F)C=CS1)OC PI-36480 [0,2,0,0,0,0|1,0,0]=3 422 B10R1.31 C1=C(SC(=C1)C(=O)O)C=O PI-29607 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.31 CC(=O)C1=CC=C(S1)C#N PI-26965 [0,2,0,0,0,0|1,0,0]=3 424 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [0,2,0,0,0,0|2,0,0]=4 425 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.58 CC1=C(SC(=C1)C(=O)O)C PI-29578 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.58 CC1=C(SC(=N1)C(C)C)C PI-23868 [0,2,0,0,0,0|1,0,1]=4 428 B10R1.58 OC(=O)c1cc(c(s1)Br)C PI-39423 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.58 OC(=O)c1cc(c(s1)Br)Cl PI-39422 [0,2,0,0,0,0|2,0,0]=4 430 B10R1.58 OC(=O)c1sc(Br)c(Br)c1 PI-26016 [0,2,0,0,0,0|2,0,0]=4 431 B10R1.59 CC1=C(SC(=N1)N)C(=O)C PI-26047 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.59 Cc1nc(c(s1)C(=O)C)C PI-11114 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.194 ClC(=O)c1scc(Br)c1C PI-22180 [0,2,0,0,0,0|2,0,0]=4 434 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.39 CCN1C=CC=C1C(=O)C PI-12064 [0,2,0,0,0,0|1,0,1]=4 436 B8R1.4 CC1=CC(=CN=C1)Br PI-27499 [0,0,1,1,0,0|2,0,0]=4 437 B8R1.4 CC1=CC(=CN=C1)F PI-16772 [0,0,1,1,0,0|2,0,0]=4 438 B8R1.4 CC1=CN=CC(=N1)C PI-11052 [0,0,1,1,0,0|2,0,0]=4 439 B8R1.4 Cc1cncc(Br)n1 PI-32830 [0,0,1,1,0,0|2,0,0]=4 440 B8R1.5 C1=CN=C(C(=N1)C)N PI-40999 [0,0,1,1,0,0|2,0,0]=4 441 B8R1.5 CC1=C(N=CC=C1)F PI-16763 [0,0,1,1,0,0|2,0,0]=4 442 B8R1.5 CC1=C(N=CC=C1)N PI-33812 [0,0,1,1,0,0|2,0,0]=4 443 B8R1.5 CC1=NC=CN=C1C PI-11734 [0,0,1,1,0,0|2,0,0]=4 444 B8R1.5 CC1=NC=CN=C1Cl PI-11816 [0,0,1,1,0,0|2,0,0]=4 445 B8R1.5 CC1=NC=CNC1=O PI-40998 [0,0,1,1,0,0|2,0,0]=4 446 B8R1.5 Cc1cccnc1Br PI-28405 [0,0,1,1,0,0|2,0,0]=4 447 B8R1.5 Cc1cccnc1Cl PI-33878 [0,0,1,1,0,0|2,0,0]=4 448 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [0,0,0,1,0,1|2,0,0]=4 449 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [1,0,0,0,0,1|1,0,0]=3 450 B8R1.2 C1=CN=CN=C1C=O PI-34868 [1,0,0,0,0,1|1,0,0]=3 451 B8R1.2 CCC1=CC=CC=N1 PI-49466 [1,0,0,0,0,1|1,0,1]=4 452 B8R1.2 CCC1=NC=CN=C1 PI-11040 [1,0,0,0,0,1|1,0,1]=4 453 B8R1.2 CNC1=CC=CC=N1 PI-11864 [1,0,0,0,0,1|2,0,0]=4 454 B8R1.2 CNC1=CN=CC=C1 PI-11328 [1,0,0,0,0,1|2,0,0]=4 455 B8R1.2 COC1=CC=CC=N1 PI-33887 [1,0,0,0,0,1|2,0,0]=4 456 B8R1.2 COC1=CN=CC=C1 PI-33889 [1,0,0,0,0,1|2,0,0]=4 457 B8R1.2 COC1=NC=CN=C1 PI-11859 [1,0,0,0,0,1|2,0,0]=4 458 B8R1.2 CSC1=CC=CC=N1 PI-16757 [1,0,0,0,0,1|2,0,0]=4 459 B8R1.2 CSC1=NC=CN=C1 PI-11048 [1,0,0,0,0,1|2,0,0]=4 460 B8R1.2 CSC1=NN=CC=N1 PI-37184 [1,0,0,0,0,1|2,0,0]=4 461 B8R1.2 O=Cc1ccccn1 PI-33895 [1,0,0,0,0,1|1,0,0]=3 462 B8R1.2 O=Cc1cccnc1 PI-33908 [1,0,0,0,0,1|1,0,0]=3 463 B8R1.2 O=Cc1ccncc1 PI-13140 [1,0,0,0,0,1|2,0,0]=4 464 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,0,0,0,2|2,0,0]=4 465 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,0,0,0,2|2,0,0]=4 466 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,0,0,0,2|2,0,0]=4 467 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,0,0,0,2|2,0,0]=4 468 B10R1.18 CC(=O)NC1=NC=CC=N1 PI-44088 [0,0,0,0,0,2|1,0,0]=3 469 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,0,0,0,2|1,0,0]=3 470 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,0,0,0,2|2,0,0]=4 471 B10R1.66 C1=CSC(=N1)CCC(=O)O PI-24109 [0,0,0,0,0,2|1,0,0]=3 472 B10R1.66 CC(=O)C=CC1=CC=CO1 PI-17492 [0,0,0,0,0,2|1,1,0]=4 473 B10R1.66 CC(=O)C=CC1=CC=CS1 PI-29954 [0,0,0,0,0,2|1,0,0]=3 474 B10R1.66 OC(=O)CCc1cccs1 PI-24513 [0,0,0,0,0,2|2,0,0]=4 475 B10R1.66 OC(=O)\C=C\c1cccs1 PI-28053 [0,0,0,0,0,2|2,0,0]=4 476 B10R1.66 OC(=O)\C=C\c1cccs1 PI-39126 [0,0,0,0,0,2|2,0,0]=4