0 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.7 C1=C(N=NS1)C(=O)O PI-28513 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.7 C1=C(NC=N1)[N+](=O)[O-] PI-31145 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.7 C1=COC=C1C(=N)N PI-19708 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 C1=COC=C1C(=O)O PI-16502 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 C1=COC=C1C(=S)N PI-19750 [0,0,0,0,0,0|3,1,0]=4 14 B8R1.7 C1=CON=C1C(=O)O PI-48871 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] PI-10995 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.7 C1=CSC(=N1)C(=N)N PI-45383 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [0,0,0,0,0,0|1,0,1]=2 21 B8R1.7 C1C=CCC1C(=O)O PI-33725 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.7 C1COC=C1C(=O)O PI-48370 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [0,0,0,0,0,0|0,0,0]=0 25 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [0,0,0,0,0,0|1,0,0]=1 26 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [0,0,0,0,0,0|1,0,0]=1 27 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [0,0,0,0,0,0|1,0,0]=1 28 B8R1.7 CC(=O)C1=NCCS1 PI-42267 [0,0,0,0,0,0|1,0,3]=4 29 B8R1.7 CC(=O)c1cscc1 PI-16499 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.7 CC(=O)n1cncc1 PI-31807 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.7 CC(C)C1=NC=CN1 PI-31819 [0,0,0,0,0,0|2,0,1]=3 32 B8R1.7 CC(C1=CC=CS1)O PI-12508 [0,0,0,0,0,0|1,0,2]=3 33 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [0,0,0,0,0,0|1,0,2]=3 34 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [0,0,0,0,0,0|1,0,0]=1 35 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.7 CC(c1cc[nH]n1)C PI-34763 [0,0,0,0,0,0|2,0,2]=4 37 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [0,0,0,0,0,0|1,0,2]=3 38 B8R1.7 ClC(=O)c1cscc1 PI-10762 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.7 NC(=N)n1cccn1 PI-16548 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.7 NC(=O)c1ncn[nH]1 PI-10146 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.7 NC(=S)c1ccco1 PI-19230 [0,0,0,0,0,0|2,1,0]=3 42 B8R1.7 NC(=S)c1cccs1 PI-39110 [0,0,0,0,0,0|2,1,0]=3 43 B8R1.7 NC(=S)c1cscc1 PI-29381 [0,0,0,0,0,0|3,1,0]=4 44 B8R1.7 OB(c1ccco1)O PI-33002 [0,0,0,0,0,0|3,0,1]=4 45 B8R1.7 OB(c1cccs1)O PI-16529 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.7 OC(=O)C1=CNN=N1 PI-40359 [0,0,0,0,0,0|3,0,1]=4 47 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [0,0,0,0,0,0|1,0,2]=3 48 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [0,0,0,0,0,0|4,0,0]=4 49 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [0,0,0,0,0,0|2,0,1]=3 50 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [0,0,0,0,0,0|1,0,0]=1 51 B8R1.7 OC(=O)c1cccs1 PI-38239 [0,0,0,0,0,0|2,0,0]=2 52 B8R1.7 OC(=O)c1ccno1 PI-29335 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.7 OC(=O)c1cocn1 PI-43182 [0,0,0,0,0,0|2,0,1]=3 54 B8R1.7 OC(=O)c1cscc1 PI-10764 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.7 OC(=O)c1cscn1 PI-28011 [0,0,0,0,0,0|2,0,1]=3 56 B8R1.7 OC(=O)c1n[nH]cn1 PI-10407 [0,0,0,0,0,0|3,0,1]=4 57 B8R1.7 OC(=O)n1scc[nH]1 PI-29827 [0,0,0,0,0,0|3,0,0]=3 58 B8R1.7 [O-][N+](=O)c1cc[nH]n1 PI-36856 [0,0,0,0,0,0|3,0,1]=4 59 B8R1.7 [O-][N+](=O)c1ncc[nH]1 PI-10202 [0,0,0,0,0,0|3,0,0]=3 60 B8R1.7 [O-][N+](=O)n1cccn1 PI-16557 [0,0,0,0,0,0|3,0,1]=4 61 B7R1.1 C#CC1=CC=CS1 PI-44556 [1,0,0,0,0,0|1,0,2]=4 62 B7R1.1 C1=C(C=N[NH]1)C=O PI-39404 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 C1=C(N=CS1)C=O PI-25454 [1,0,0,0,0,0|1,0,1]=3 64 B7R1.1 C1=C(N=NS1)C=O PI-29425 [1,0,0,0,0,0|2,0,1]=4 65 B7R1.1 C1=C(NC=N1)C#N PI-40207 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.1 C1=C(NC=N1)C=O PI-34783 [1,0,0,0,0,0|1,0,0]=2 67 B7R1.1 C1=C(NC=N1)CO PI-31940 [1,0,0,0,0,0|1,0,2]=4 68 B7R1.1 C1=CNC=C1C=O PI-34088 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.1 C1=COC(=C1)CS PI-48474 [1,0,0,0,0,0|1,1,1]=4 70 B7R1.1 C1=CSC(=C1)C=O PI-44709 [1,0,0,0,0,0|1,0,0]=2 71 B7R1.1 C1=CSC(=C1)CCl PI-50490 [1,0,0,0,0,0|2,0,1]=4 72 B7R1.1 C1=CSC(=C1)CO PI-11151 [1,0,0,0,0,0|1,0,2]=4 73 B7R1.1 CCC1=CC=CS1 PI-10993 [1,0,0,0,0,0|1,0,1]=3 74 B7R1.1 CCC1=CSC=C1 PI-35073 [1,0,0,0,0,0|2,0,1]=4 75 B7R1.1 CCN1C=CC=C1 PI-12065 [1,0,0,0,0,0|2,0,1]=4 76 B7R1.1 CCc1ncc[nH]1 PI-31817 [1,0,0,0,0,0|1,0,1]=3 77 B7R1.1 CCn1cccn1 PI-35920 [1,0,0,0,0,0|1,0,2]=4 78 B7R1.1 COC1=NC=CS1 PI-11131 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.1 COc1cccs1 PI-33573 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.1 COc1cscc1 PI-27269 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.1 CSC1=CSC=C1 PI-29322 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 N#Cc1cccs1 PI-10787 [1,0,0,0,0,0|2,0,1]=4 83 B7R1.1 NCc1cccs1 PI-11152 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.1 O=CC1=CCCC1 PI-39104 [1,0,0,0,0,0|1,0,2]=4 85 B7R1.1 O=CC1=NC=CO1 PI-39572 [1,0,0,0,0,0|1,0,1]=3 86 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [1,0,0,0,0,0|1,0,1]=3 87 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [1,0,0,0,0,0|0,0,0]=1 88 B7R1.1 O=Cc1cnco1 PI-38922 [1,0,0,0,0,0|2,0,0]=3 89 B7R1.1 O=Cc1cncs1 PI-25019 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.1 O=Cc1cscc1 PI-10763 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [1,0,0,0,0,0|1,0,0]=2 92 B7R1.1 O=Cc1nccs1 PI-11133 [1,0,0,0,0,0|1,0,1]=3 93 B7R1.1 OCC1=NC=CN1 PI-36879 [1,0,0,0,0,0|1,0,2]=4 94 B9R1.11 C1=COC(=C1)C(=NO)N PI-19376 [0,1,0,0,0,0|2,0,1]=4 95 B9R1.11 C1=CSC(=C1)C(=NO)N PI-29669 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.11 C1=CSC(=C1)C(=O)CCl PI-29443 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.11 C1=CSC(=N1)C(=O)CBr PI-45387 [0,1,0,0,0,0|1,0,1]=3 98 B9R1.11 C1=CSC=C1C(=O)CBr PI-29147 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.11 C1=CSC=C1C(=O)NN PI-29542 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.11 C1=NNC(=N1)C(=O)NN PI-28276 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.11 CC(C1=CC=CO1)NO PI-19088 [0,1,0,0,0,0|1,0,2]=4 102 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.11 CCC(=O)C1=NC=CS1 PI-48498 [0,1,0,0,0,0|1,0,1]=3 104 B9R1.11 CCC(=O)c1ccco1 PI-17052 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [0,1,0,0,0,0|1,0,0]=2 106 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.11 COC(=O)C1=CCCC1 PI-38160 [0,1,0,0,0,0|1,0,2]=4 108 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.11 COC(=O)C1=NC=NN1 PI-16818 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.11 COC(=O)C1=NNN=C1 PI-44893 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.11 COC(=O)C1=NNN=C1 PI-44918 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.11 COC(=O)C1CC=CC1 PI-37831 [0,1,0,0,0,0|1,0,2]=4 115 B9R1.11 COC(=O)c1cccs1 PI-30692 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.11 NCC(c1ccco1)O PI-15941 [0,1,0,0,0,0|1,0,2]=4 117 B9R1.11 NNC(=O)c1ccco1 PI-28398 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.11 NNC(=O)c1cccs1 PI-18375 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [0,1,0,0,0,0|0,0,0]=1 120 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.19 C1=CSC(=C1)S(=O)(=O)N PI-29805 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.19 CC(C1=CC=CC1)(C)C PI-38470 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.19 CS(=O)(=O)C1=CC=CS1 PI-29538 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.19 C[Si](C)(C)C1=CC=CS1 PI-24187 [0,1,0,0,0,0|2,1,0]=4 125 B9R1.19 ClS(=O)(=O)c1cccs1 PI-24139 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.35 C1=C(NC(=N1)Br)[N+](=O)[O-] PI-44703 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.35 C1=C(NC(=N1)Cl)[N+](=O)[O-] PI-44934 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.35 C1=C(OC(=C1)Br)[N+](=O)[O-] PI-17302 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.35 C1=C(SC(=C1)Br)[N+](=O)[O-] PI-16497 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.35 C1=C(SC(=N1)Br)C(=O)O PI-25655 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.35 C1=C(SC=C1C(=O)N)Br PI-44107 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.35 CC(=O)C1=NC=C(S1)Br PI-43922 [0,1,0,0,0,0|1,0,1]=3 148 B9R1.35 CC(=O)N1C=C(C=N1)I PI-31343 [0,1,0,0,0,0|1,0,1]=3 149 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [0,1,0,0,0,0|1,0,1]=3 150 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.35 CC(C1=CN=C(N)S1)=O PI-46739 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.35 CC1=NC=C(N1)[N+](=O)[O-] PI-31739 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [0,1,0,0,0,0|2,0,1]=4 163 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [0,1,0,0,0,0|2,0,1]=4 168 B9R1.35 OC(=O)c1cc(no1)Br PI-39414 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [0,1,0,0,0,0|2,0,1]=4 170 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.41 C1=CSC(=C1Br)C(=O)Cl PI-29405 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.41 C1=CSC(=C1Cl)C(=O)Cl PI-20245 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.41 C1=CSC(=C1Cl)C(=O)N PI-29148 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.41 C1=NC(=C(N1)C(=O)N)N PI-10147 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.41 C1=NC(=C(S1)N)C(=O)N PI-48355 [0,1,0,0,0,0|2,0,1]=4 178 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [0,1,0,0,0,0|0,0,0]=1 180 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.41 CC1=C(SC=N1)C(=O)O PI-11138 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.41 CN1C=CN=C1C(=O)O PI-45034 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.41 Cn1cncc1C(=O)O PI-35821 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.41 NC(=O)c1[nH]cnc1N PI-31291 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.41 NC(=O)c1nc[nH]c1N PI-36874 [0,1,0,0,0,0|2,0,1]=4 191 B9R1.41 NC(=O)c1sccc1N PI-14136 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.41 O=C(C1=C(N)SC=C1)N PI-37067 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.41 OC(=O)c1occc1Br PI-39205 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [0,0,1,0,0,0|2,0,0]=3 197 B7R0.4 O=C(O)CNCC=C PI-37297 [0,0,1,0,0,0|1,0,2]=4 198 B7R0.5 C=CCC(C(=O)O)N PI-43236 [0,0,1,0,0,0|1,0,2]=4 199 B7R0.5 C=CCC(C(=O)O)N PI-43396 [0,0,1,0,0,0|1,0,2]=4 200 B7R0.5 NC(CC=C)C(O)=O PI-29913 [0,0,1,0,0,0|1,0,2]=4 201 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [0,0,0,0,0,1|2,0,1]=4 202 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [0,0,0,0,0,1|1,0,1]=3 203 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [0,0,0,0,0,1|1,0,1]=3 204 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [0,0,0,0,0,1|1,1,1]=4 205 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [0,0,0,0,0,1|1,0,1]=3 206 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [0,0,0,0,0,1|2,0,0]=3 207 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [0,0,0,0,0,1|1,0,1]=3 208 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,0,0,0,1|1,0,1]=3 209 B9R1.6 C1=CN=C(C=N1)C(=N)N PI-33861 [0,0,0,0,0,1|2,0,1]=4 210 B9R1.6 C1=CN=C(N=C1)C(=N)N PI-45842 [0,0,0,0,0,1|2,0,1]=4 211 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [0,0,0,0,0,1|3,0,0]=4 212 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [0,0,0,0,0,1|2,0,0]=3 214 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [0,0,0,0,0,1|2,0,0]=3 215 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [0,0,0,0,0,1|2,1,0]=4 216 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [0,0,0,0,0,1|2,0,1]=4 217 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [0,0,0,0,0,1|1,0,1]=3 218 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [0,0,0,0,0,1|0,0,1]=2 219 B9R1.6 CC(=O)C1=CCCCC1 PI-26979 [0,0,0,0,0,1|1,0,2]=4 220 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [0,0,0,0,0,1|1,0,1]=3 221 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [0,0,0,0,0,1|0,0,1]=2 222 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [0,0,0,0,0,1|0,0,1]=2 223 B9R1.6 CC(=O)c1cccnc1 PI-32250 [0,0,0,0,0,1|0,0,1]=2 224 B9R1.6 CC(=O)c1ccncc1 PI-38297 [0,0,0,0,0,1|1,0,0]=2 225 B9R1.6 CC(C)c1ccncc1 PI-16693 [0,0,0,0,0,1|2,0,1]=4 226 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [0,0,0,0,0,1|2,0,1]=4 227 B9R1.6 CC(C1=NC=CN=C1)N PI-37121 [0,0,0,0,0,1|1,0,2]=4 228 B9R1.6 CC(c1ccccn1)N PI-38576 [0,0,0,0,0,1|1,0,2]=4 229 B9R1.6 CC(c1ccncc1)N PI-38572 [0,0,0,0,0,1|2,0,1]=4 230 B9R1.6 CN(C)c1ccncc1 PI-16263 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [0,0,0,0,0,1|1,0,2]=4 233 B9R1.6 C[C@@H](C1=CC=NC=C1)O PI-49831 [0,0,0,0,0,1|1,0,2]=4 234 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [0,0,0,0,0,1|1,0,2]=4 235 B9R1.6 C[C@@H](O)C1=NC=CC=C1 PI-42552 [0,0,0,0,0,1|0,0,3]=4 236 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [0,0,0,0,0,1|2,0,1]=4 237 B9R1.6 C[C@H](C1=CC=NC=C1)O PI-49830 [0,0,0,0,0,1|1,0,2]=4 238 B9R1.6 C[C@H](O)C1=NC=CC=C1 PI-42531 [0,0,0,0,0,1|0,0,3]=4 239 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [0,0,0,0,0,1|2,0,1]=4 240 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [0,0,0,0,0,1|1,0,2]=4 241 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [0,0,0,0,0,1|2,1,0]=4 242 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [0,0,0,0,0,1|1,0,1]=3 243 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [0,0,0,0,0,1|2,0,1]=4 244 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [0,0,0,0,0,1|2,0,1]=4 245 B9R1.6 NC(=N)c1ccccc1 PI-30200 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.6 NC(=N)c1ccccn1 PI-30669 [0,0,0,0,0,1|2,0,1]=4 247 B9R1.6 NC(=O)c1cccnc1 PI-12870 [0,0,0,0,0,1|1,0,1]=3 248 B9R1.6 NC(=S)c1ccccc1 PI-29356 [0,0,0,0,0,1|2,1,0]=4 249 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [0,0,0,0,0,1|3,0,0]=4 250 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,0,0,0,1|1,0,1]=3 251 B9R1.6 OC(=O)c1ccncn1 PI-32629 [0,0,0,0,0,1|1,0,1]=3 252 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [0,0,0,0,0,1|1,0,1]=3 253 B9R1.13 C1=CN(N=C1)CC(=O)O PI-35655 [0,0,0,0,0,1|2,0,1]=4 254 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.13 C1=CSC(=C1)CC(=O)Cl PI-11881 [0,0,0,0,0,1|2,0,0]=3 256 B9R1.13 CC(=O)NC1=CC=CS1 PI-12512 [0,0,0,0,0,1|1,0,0]=2 257 B9R1.13 CC(=O)NC1=NC=CS1 PI-26514 [0,0,0,0,0,1|1,0,1]=3 258 B9R1.13 CC(N)CC1=CC=CS1 PI-40008 [0,0,0,0,0,1|2,0,1]=4 259 B9R1.13 CC(N)Cc1ccco1 PI-36445 [0,0,0,0,0,1|2,0,1]=4 260 B9R1.13 CN(C)C=C1C=CC=C1 PI-48994 [0,0,0,0,0,1|3,0,0]=4 261 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [0,0,0,0,0,1|2,0,0]=3 262 B9R1.13 OC(=O)Cc1c[nH]cn1 PI-21909 [0,0,0,0,0,1|2,0,1]=4 263 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [0,0,0,0,0,1|2,0,0]=3 264 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [0,0,0,0,0,1|3,0,0]=4 265 B6R0.6 CC=CC=CCO PI-24146 [1,0,1,0,0,0|1,0,1]=4 266 B6R1.2 Brc1ccco1 PI-14449 [2,0,0,0,0,0|2,0,0]=4 267 B6R1.2 Brc1cccs1 PI-11144 [2,0,0,0,0,0|2,0,0]=4 268 B6R1.2 Brc1ncc[nH]1 PI-39207 [2,0,0,0,0,0|2,0,0]=4 269 B6R1.2 C1=C(NN=C1)N PI-10514 [2,0,0,0,0,0|2,0,0]=4 270 B6R1.2 C1=CN=C(N1)N PI-11170 [2,0,0,0,0,0|2,0,0]=4 271 B6R1.2 C1=CN=C(N1)N PI-45241 [2,0,0,0,0,0|2,0,0]=4 272 B6R1.2 C1=CN=C(N1)N PI-45281 [2,0,0,0,0,0|2,0,0]=4 273 B6R1.2 C1OC(=O)C=C1 PI-37270 [2,0,0,0,0,0|1,0,1]=4 274 B6R1.2 CC1=CC=CS1 PI-11146 [2,0,0,0,0,0|1,0,0]=3 275 B6R1.2 CC1=CN=CN1 PI-44758 [2,0,0,0,0,0|1,0,0]=3 276 B6R1.2 CC1=COC=C1 PI-41011 [2,0,0,0,0,0|2,0,0]=4 277 B6R1.2 Cc1cc[nH]n1 PI-31344 [2,0,0,0,0,0|1,0,1]=4 278 B6R1.2 Cc1cncs1 PI-33497 [2,0,0,0,0,0|2,0,0]=4 279 B6R1.2 Cc1nccs1 PI-11132 [2,0,0,0,0,0|1,0,1]=4 280 B6R1.2 Clc1ncc[nH]1 PI-20136 [2,0,0,0,0,0|2,0,0]=4 281 B6R1.2 Cn1cccn1 PI-37584 [2,0,0,0,0,0|1,0,1]=4 282 B6R1.2 Ic1cccs1 PI-11145 [2,0,0,0,0,0|2,0,0]=4 283 B6R1.2 O=C1CC=CC1 PI-38266 [2,0,0,0,0,0|1,0,1]=4 284 B6R1.2 O=c1occo1 PI-15331 [2,0,0,0,0,0|2,0,0]=4 285 B6R1.2 Sc1cccs1 PI-27908 [2,0,0,0,0,0|1,1,0]=4 286 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [0,1,1,0,0,0|1,0,0]=3 287 B8R0.23 CC(=O)NC(=C)C(=O)O PI-26724 [0,1,1,0,0,0|1,0,1]=4 288 B8R1.1 Brc1cc(oc1)C=O PI-21495 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.1 Brc1cc(sc1)C=O PI-16278 [1,1,0,0,0,0|1,0,0]=3 290 B8R1.1 Brc1ccc(C=O)o1 PI-31098 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.1 Brc1ccc(C=O)s1 PI-35909 [1,1,0,0,0,0|1,0,0]=3 292 B8R1.1 Brc1cnc(s1)C=O PI-39227 [1,1,0,0,0,0|1,0,1]=4 293 B8R1.1 Brc1ncc(s1)C=O PI-25590 [1,1,0,0,0,0|2,0,0]=4 294 B8R1.1 C1=C(OC(=C1)I)C=O PI-31133 [1,1,0,0,0,0|1,0,0]=3 295 B8R1.1 C1=C(SC(=C1)Cl)C=O PI-30886 [1,1,0,0,0,0|1,0,0]=3 296 B8R1.1 C1=C(SC(=N1)N)C=O PI-14095 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [1,1,0,0,0,0|1,0,0]=3 298 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [1,1,0,0,0,0|1,0,0]=3 299 B8R1.1 CC1=NC(=CS1)C=O PI-39568 [1,1,0,0,0,0|1,0,1]=4 300 B8R1.1 CCC1=NC=C(N1)C PI-31806 [1,1,0,0,0,0|1,0,1]=4 301 B8R1.1 C[N]1C=CC(=N1)C=O PI-39712 [1,1,0,0,0,0|1,0,1]=4 302 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [1,1,0,0,0,0|1,0,0]=3 303 B8R1.1 Cn1cc(nc1)C=O PI-39321 [1,1,0,0,0,0|1,0,1]=4 304 B8R1.1 O=CC1=CN=C(C)S1 PI-39711 [1,1,0,0,0,0|2,0,0]=4 305 B8R1.1 O=CC1=CN=C(Cl)S1 PI-41521 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.1 O=CC1=CSC(Br)=N1 PI-25631 [1,1,0,0,0,0|1,0,1]=4 307 B8R1.8 C1=C(NC=N1)CCN PI-44999 [1,1,0,0,0,0|1,0,1]=4 308 B8R1.8 C1=C(NC=N1)CCO PI-31941 [1,1,0,0,0,0|1,0,1]=4 309 B8R1.8 CCCC1=NC=CN1 PI-24452 [1,1,0,0,0,0|1,0,1]=4 310 B8R1.8 CSCC1=CC=CO1 PI-48491 [1,1,0,0,0,0|1,0,1]=4 311 B8R1.8 NCCc1cccs1 PI-11168 [1,1,0,0,0,0|1,0,1]=4 312 B8R1.8 O=C=Nc1cccs1 PI-27322 [1,1,0,0,0,0|1,0,1]=4 313 B8R1.8 OCCc1cccs1 PI-11150 [1,1,0,0,0,0|1,0,1]=4 314 B8R1.11 Brc1cscc1C=O PI-36834 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.11 C1=CSC(=C1Br)C=O PI-22616 [1,1,0,0,0,0|1,0,0]=3 316 B8R1.11 C1=CSC(=C1Cl)C=O PI-42060 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.11 C1=NC(=C(S1)C=O)Cl PI-34872 [1,1,0,0,0,0|2,0,0]=4 318 B8R1.11 CC1=C(N=CN1)C=O PI-45102 [1,1,0,0,0,0|1,0,1]=4 319 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.11 CCC1=CC=CN1N PI-40301 [1,1,0,0,0,0|0,0,1]=3 321 B8R1.11 CN1C=CC=C1C=O PI-33707 [1,1,0,0,0,0|0,0,0]=2 322 B8R1.11 CN1C=NC=C1C=O PI-25534 [1,1,0,0,0,0|1,0,0]=3 323 B8R1.11 CN1N=CC=C1CC PI-39594 [1,1,0,0,0,0|1,0,1]=4 324 B8R1.11 Cc1ncsc1C=O PI-11136 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.11 N#Cc1cccn1C PI-34307 [1,1,0,0,0,0|1,0,1]=4 326 B8R1.11 O=Cc1nccn1C PI-16496 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,1,0,0,0,1|1,0,1]=4 329 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,1,0,0,0,1|1,0,1]=4 330 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [0,1,0,0,0,1|1,0,1]=4 331 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [0,1,0,0,0,1|1,0,1]=4 339 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [0,1,0,0,0,1|1,0,1]=4 340 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,1,0,0,0,1|1,0,1]=4 341 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,1,0,0,0,1|1,0,1]=4 342 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,1,0,0,0,1|1,0,1]=4 343 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,1,0,0,0,1|1,0,0]=3 344 B10R1.13 C1=CC(=O)NC=C1[N+](=O)[O-] PI-11016 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,1,0,0,0,1|1,0,0]=3 348 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,1,0,0,0,1|1,0,0]=3 349 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [0,1,0,0,0,1|0,0,1]=3 350 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,1,0,0,0,1|0,0,1]=3 351 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,1,0,0,0,1|1,0,0]=3 352 B10R1.13 CC(C)C1=NNC(=O)C=C1 PI-48300 [0,1,0,0,0,1|1,0,1]=4 353 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,1,0,0,0,1|1,0,0]=3 354 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,1,0,0,0,1|1,0,0]=3 355 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,1,0,0,0,1|0,0,1]=3 357 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,1,0,0,0,1|1,0,1]=4 358 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [0,1,0,0,0,1|1,0,1]=4 359 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [0,1,0,0,0,1|1,0,1]=4 363 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [0,1,0,0,0,1|1,0,1]=4 367 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,1,0,0,0,1|1,0,1]=4 368 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [0,1,0,0,0,1|1,0,1]=4 370 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [0,1,0,0,0,1|1,0,1]=4 371 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [0,1,0,0,0,1|1,0,1]=4 372 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [0,1,0,0,0,1|1,0,1]=4 373 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [0,1,0,0,0,1|0,0,1]=3 374 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [0,1,0,0,0,1|1,0,0]=3 375 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [0,1,0,0,0,1|0,0,1]=3 376 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [0,1,0,0,0,1|1,0,1]=4 377 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [0,1,0,0,0,1|1,0,1]=4 378 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [0,1,0,0,0,1|2,0,0]=4 379 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [0,1,0,0,0,1|1,0,1]=4 380 B10R1.15 C1=CN=C(C=N1)C(=O)NN PI-35467 [0,1,0,0,0,1|1,0,1]=4 381 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [0,1,0,0,0,1|1,0,1]=4 382 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [0,1,0,0,0,1|1,0,0]=3 383 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [0,1,0,0,0,1|1,0,0]=3 384 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.15 COC(=N)C1=CC=CC=N1 PI-46993 [0,1,0,0,0,1|1,0,1]=4 386 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [0,1,0,0,0,1|0,0,1]=3 387 B10R1.15 COC(=O)C1=NC=CC=N1 PI-42078 [0,1,0,0,0,1|0,0,1]=3 388 B10R1.15 COC(=O)C1=NC=CN=C1 PI-30782 [0,1,0,0,0,1|0,0,1]=3 389 B10R1.15 COC(=O)c1ccccn1 PI-33273 [0,1,0,0,0,1|0,0,1]=3 390 B10R1.15 COC(=O)c1ccncn1 PI-36498 [0,1,0,0,0,1|0,0,1]=3 391 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [0,1,0,0,0,1|1,0,0]=3 392 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [0,1,0,0,0,1|1,0,1]=4 393 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [0,1,0,0,0,1|1,0,0]=3 394 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [0,1,0,0,0,1|1,0,1]=4 397 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,1,0,0,0,1|1,0,1]=4 398 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [0,1,0,0,0,1|1,0,1]=4 399 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [0,1,0,0,0,1|1,0,1]=4 400 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.61 C1=CN=C(C(=O)N1)C(=O)[NH-] PI-49791 [0,1,0,0,0,1|1,0,1]=4 407 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,1,0,0,0,1|1,0,1]=4 408 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [0,1,0,0,0,1|1,0,0]=3 411 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [0,1,0,0,0,1|1,0,0]=3 412 B10R1.61 C1=CNC=C(C1=O)[N+](=O)[O-] PI-12188 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.61 C1=CNC=C(C1=O)[N+](=O)[O-] PI-16572 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [0,1,0,0,0,1|1,0,0]=3 415 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,1,0,0,0,1|1,0,0]=3 416 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,1,0,0,0,1|1,0,0]=3 417 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,1,0,0,0,1|1,0,0]=3 418 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,1,0,0,0,1|1,0,0]=3 419 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,1,0,0,0,1|1,0,0]=3 420 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,1,0,0,0,1|1,0,0]=3 421 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,1,0,0,0,1|1,0,1]=4 423 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,1,0,0,0,1|1,0,0]=3 424 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.61 CC1=NC=CN=C1C(=O)C PI-11038 [0,1,0,0,0,1|0,0,1]=3 426 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.61 NC(=O)c1nccnc1N PI-38832 [0,1,0,0,0,1|1,0,1]=4 428 B10R1.61 NC(=O)c1nccnc1O PI-38271 [0,1,0,0,0,1|1,0,1]=4 429 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.61 OC(=O)c1ccccc1F PI-16976 [0,1,0,0,0,1|2,0,0]=4 431 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,1,0,0,0,1|1,0,1]=4 432 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,1,0,0,0,1|1,0,1]=4 433 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,1,0,0,0,1|1,0,1]=4 434 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,1,0,0,0,1|1,0,1]=4 435 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.61 OC(=O)c1ccncc1I PI-38273 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.61 OC(=O)c1ccncc1N PI-10177 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.61 OC(=O)c1ccncc1O PI-28020 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,1,0,0,0,1|1,0,1]=4 440 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,1,0,0,0,1|1,0,1]=4 441 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,1,0,0,0,1|1,0,1]=4 442 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,1,0,0,0,1|1,0,1]=4 443 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,1,0,0,0,1|1,0,1]=4 444 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,1,0,0,0,1|1,0,1]=4 445 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,1,0,0,0,1|1,0,1]=4 446 B10R1.61 OC(=O)c1nccnc1Cl PI-29423 [0,1,0,0,0,1|1,0,1]=4 447 B10R1.61 OC(=O)c1nccnc1O PI-29323 [0,1,0,0,0,1|1,0,1]=4 448 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,1,0,0,0,1|1,0,1]=4 451 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,1,0,0,0,1|1,0,1]=4 453 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,1,0,0,0,1|1,0,1]=4 454 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,1,0,0,0,1|1,0,1]=4 455 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,1,0,0,0,1|1,0,1]=4 456 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N PI-14714 [0,1,0,0,0,1|1,0,1]=4 463 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,1,0,0,0,1|1,0,1]=4 464 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,1,0,0,0,1|1,0,1]=4 465 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [0,1,0,0,0,1|1,0,1]=4 468 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,1,0,0,0,1|1,0,1]=4 469 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [0,1,0,0,0,1|1,0,1]=4 470 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [0,1,0,0,0,1|1,0,0]=3 471 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,1,0,0,0,1|1,0,0]=3 473 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,1,0,0,0,1|0,0,1]=3 474 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,1,0,0,0,1|1,0,0]=3 475 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,1,0,0,0,1|1,0,1]=4 476 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,1,0,0,0,1|1,0,1]=4 477 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,1,0,0,0,1|1,0,0]=3 478 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [0,1,0,0,0,1|1,0,1]=4 479 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,1,0,0,0,1|1,0,1]=4 480 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [0,1,0,0,0,1|1,0,1]=4 481 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,1,0,0,0,1|1,0,1]=4 482 B10R1.113 Cc1ncnc(c1)C(=O)C PI-35999 [0,1,0,0,0,1|0,0,1]=3 483 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,1,0,0,0,1|1,0,1]=4 484 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [0,1,0,0,0,1|1,0,0]=3 485 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,1,0,0,0,1|1,0,0]=3 486 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,1,0,0,0,1|1,0,1]=4 487 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [0,1,0,0,0,1|1,0,1]=4 491 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,1,0,0,0,1|1,0,0]=3 492 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.113 O=C(C1=NC(Cl)=CN=C1)O PI-37167 [0,1,0,0,0,1|1,0,1]=4 496 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,1,0,0,0,1|1,0,1]=4 497 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,1,0,0,0,1|1,0,0]=3 498 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,1,0,0,0,1|2,0,0]=4 500 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,1,0,0,0,1|1,0,1]=4 501 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [0,1,0,0,0,1|1,0,1]=4 502 B10R1.23 OC(=O)C(=O)c1cccs1 PI-12233 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.27 COC(=O)CC1=CC=CS1 PI-50442 [0,1,0,0,0,1|1,0,0]=3 504 B10R1.27 COC(=O)CC1=CSC=C1 PI-30743 [0,1,0,0,0,1|2,0,0]=4 505 B10R1.54 CC(=O)Cc1cnc(s1)N PI-15461 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.54 CC(=O)NC1=NC=C(S1)Cl PI-26276 [0,1,0,0,0,1|1,0,1]=4 507 B10R1.54 CC(=O)Nc1scc(C)n1 PI-17263 [0,1,0,0,0,1|1,0,1]=4 508 B10R1.54 CC1=CSC(=C1)CC(=O)C PI-48378 [0,1,0,0,0,1|1,0,0]=3 509 B10R1.64 CC1=C(C=CO1)SC(=O)C PI-46984 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O PI-40025 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.11 CC(=NOC)C1=CC=CS1 PI-29069 [0,2,0,0,0,0|1,0,1]=4 512 B10R1.11 CCCC(=O)C1=CC=CO1 PI-19566 [0,2,0,0,0,0|1,0,0]=3 513 B10R1.11 CCOC(=O)C1=CC=CO1 PI-45416 [0,2,0,0,0,0|1,0,0]=3 514 B10R1.11 CCOC(=O)C1=CN=CN1 PI-45041 [0,2,0,0,0,0|1,0,0]=3 515 B10R1.11 CCOC(=O)C1=CN=CO1 PI-41911 [0,2,0,0,0,0|2,0,0]=4 516 B10R1.11 CCOC(=O)C1=CSC=C1 PI-29710 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.11 CCOC(=O)C1=CSC=N1 PI-25161 [0,2,0,0,0,0|1,0,1]=4 518 B10R1.11 CCOC(=O)c1cc[nH]n1 PI-39369 [0,2,0,0,0,0|1,0,1]=4 519 B10R1.11 CCOC(=O)c1ccc[nH]1 PI-19322 [0,2,0,0,0,0|0,0,0]=2 520 B10R1.11 CCOC(=O)c1cccs1 PI-11165 [0,2,0,0,0,0|1,0,0]=3 521 B10R1.11 CCOC(=O)c1cocc1 PI-13055 [0,2,0,0,0,0|2,0,0]=4 522 B10R1.11 N#CCC(=O)c1ccco1 PI-29476 [0,2,0,0,0,0|1,0,0]=3 523 B10R1.11 N#CCC(=O)c1cccs1 PI-29493 [0,2,0,0,0,0|1,0,0]=3 524 B10R1.14 C1=C(C(OC)=O)N=C(S1)Cl PI-41958 [0,2,0,0,0,0|1,0,1]=4 525 B10R1.14 C1=C(OC(=C1)Br)C(=O)NN PI-21498 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.14 C1=C(SC(=C1)Br)C(=O)CBr PI-20587 [0,2,0,0,0,0|1,0,0]=3 527 B10R1.14 C1=C(SC(=C1)Br)C(=O)NN PI-22618 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.14 C1=C(SC(=C1)Cl)C(=O)NN PI-29504 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [0,2,0,0,0,0|1,0,0]=3 530 B10R1.14 CC1=NC(=CO1)C(=O)OC PI-48165 [0,2,0,0,0,0|1,0,1]=4 531 B10R1.14 CCC(=O)C1=CC=C(O1)C PI-17359 [0,2,0,0,0,0|1,0,0]=3 532 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [0,2,0,0,0,0|1,0,0]=3 533 B10R1.14 COC(=O)C1=CC=C(S1)Cl PI-45460 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.14 COC(=O)C1=CN=C(S1)Br PI-25654 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.14 COC(=O)C1=CSC(=N1)Br PI-25237 [0,2,0,0,0,0|1,0,1]=4 536 B10R1.14 COC(=O)C1=CSC(=N1)N PI-16259 [0,2,0,0,0,0|1,0,1]=4 537 B10R1.14 COC(=O)c1cc([nH]n1)N PI-39462 [0,2,0,0,0,0|1,0,1]=4 538 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [0,2,0,0,0,0|0,0,0]=2 539 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [0,2,0,0,0,0|1,0,0]=3 540 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [0,2,0,0,0,0|1,0,0]=3 541 B10R1.14 COC(=O)c1cc(no1)O PI-36768 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [0,2,0,0,0,0|0,0,0]=2 543 B10R1.14 COC(=O)c1cnc(s1)N PI-25778 [0,2,0,0,0,0|2,0,0]=4 544 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.14 ClCC(=O)c1ccc(Br)s1 PI-22620 [0,2,0,0,0,0|1,0,0]=3 546 B10R1.14 Clc1ccc(s1)C(=O)CBr PI-20667 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.14 O=C(C1=CSC(Br)=C1)OC PI-46727 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.14 O=C(C1=CSC(C)=N1)OC PI-40824 [0,2,0,0,0,0|1,0,1]=4 549 B10R1.149 CC1=C(OC=C1)C(=O)OC PI-30773 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.149 CC1=C(SC=C1)C(=O)OC PI-29927 [0,2,0,0,0,0|1,0,0]=3 551 B10R1.149 CC1=C(SC=N1)C(=O)OC PI-11143 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.149 CN1C=CC=C1C(=O)OC PI-31682 [0,2,0,0,0,0|0,0,0]=2 553 B10R1.149 CN1C=CN=C1C(=O)OC PI-45283 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.149 COC(=O)C1=C(C=CS1)Br PI-29410 [0,2,0,0,0,0|1,0,0]=3 555 B10R1.149 COC(=O)C1=C(C=CS1)Cl PI-29957 [0,2,0,0,0,0|1,0,0]=3 556 B10R1.149 COC(=O)c1ccsc1N PI-15241 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.149 COC(=O)c1cscc1N PI-29564 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.149 COC(=O)c1cscc1N PI-29848 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.149 COC(=O)c1sccc1N PI-31111 [0,2,0,0,0,0|1,0,0]=3 560 B10R1.149 COC(=O)c1sccc1O PI-18017 [0,2,0,0,0,0|1,0,0]=3 561 B10R1.149 O=C(C1=C(Br)SC=C1)OC PI-46673 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.149 O=C(C1=C(F)C=CS1)OC PI-36480 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.149 O=C(C1=CSC=C1Br)OC PI-46670 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.31 C1=C(SC(=C1)C(=O)O)C=O PI-29607 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.31 CC(=O)C1=CC=C(S1)C#N PI-26965 [0,2,0,0,0,0|1,0,0]=3 566 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.31 N#Cc1c[nH]c(c1)C(=O)O PI-36278 [0,2,0,0,0,0|1,0,0]=3 569 B10R1.31 O=Cc1ccc([nH]1)C(=O)O PI-36297 [0,2,0,0,0,0|1,0,0]=3 570 B10R1.31 O=Cc1ccc(o1)C(=O)O PI-17709 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.31 OCc1ccc(o1)C(=O)O PI-19793 [0,2,0,0,0,0|2,0,0]=4 572 B10R1.58 CC1=C(SC(=C1)C(=O)O)C PI-29578 [0,2,0,0,0,0|2,0,0]=4 573 B10R1.58 OC(=O)c1cc(c(s1)Br)C PI-39423 [0,2,0,0,0,0|2,0,0]=4 574 B10R1.58 OC(=O)c1cc(c(s1)Br)Cl PI-39422 [0,2,0,0,0,0|2,0,0]=4 575 B10R1.58 OC(=O)c1oc(C)c(C)c1 PI-17532 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.58 OC(=O)c1sc(Br)c(Br)c1 PI-26016 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O PI-49746 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.59 CC1=C(SC(=N1)N)C(=O)C PI-26047 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.59 CC1=CC(=C(O1)C)C(=O)C PI-26051 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.59 CC1=NN(C(=C1)C(=O)Cl)C PI-21981 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.59 CC1=NN(C(=C1)C(=O)N)C PI-21983 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.59 CC1=NN(C(=C1)C(=O)O)C PI-21984 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.59 Cc1nc(c(s1)C(=O)C)C PI-11114 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.59 Clc1sc(Cl)c(c1)C(=O)C PI-21085 [0,2,0,0,0,0|2,0,0]=4 586 B10R1.194 ClC(=O)c1scc(Br)c1C PI-22180 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.39 C1=NC(=C(N1)C(=O)N)C#N PI-20303 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.39 CCN1C=CC=C1C(=O)C PI-12064 [0,2,0,0,0,0|0,0,0]=2 590 B10R1.192 CC(=O)c1c(C)c[nH]c1C PI-26336 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.192 Cn1ncc(Br)c1C(=O)O PI-22169 [0,2,0,0,0,0|2,0,0]=4 592 B8R1.4 C1=CC(=CC(=C1)I)N PI-41422 [0,0,1,1,0,0|1,0,1]=4 593 B8R1.4 C1=CC(=NC(=C1)Br)N PI-14243 [0,0,1,1,0,0|2,0,0]=4 594 B8R1.4 C1=CC(=O)NC(=C1)N PI-28596 [0,0,1,1,0,0|1,0,0]=3 595 B8R1.4 C1=CC(=O)NC(=C1)O PI-11767 [0,0,1,1,0,0|2,0,0]=4 596 B8R1.4 C1=CN=C(NC1=O)N PI-12796 [0,0,1,1,0,0|2,0,0]=4 597 B8R1.4 C1=CNC(=O)C=C1N PI-34824 [0,0,1,1,0,0|1,0,1]=4 598 B8R1.4 CC1=CC(=CC=C1)I PI-10981 [0,0,1,1,0,0|2,0,0]=4 599 B8R1.4 CC1=CC=CC(=O)N1 PI-16688 [0,0,1,1,0,0|2,0,0]=4 600 B8R1.4 CC1=NC(=CC=C1)Br PI-23524 [0,0,1,1,0,0|2,0,0]=4 601 B8R1.4 CC1=NC=CC(=C1)N PI-13314 [0,0,1,1,0,0|2,0,0]=4 602 B8R1.4 Cc1cccc(N)n1 PI-32836 [0,0,1,1,0,0|1,0,0]=3 603 B8R1.4 Cc1cccc(n1)Cl PI-28225 [0,0,1,1,0,0|2,0,0]=4 604 B8R1.4 Cc1cccc(n1)F PI-16770 [0,0,1,1,0,0|2,0,0]=4 605 B8R1.4 Cc1ccnc(N)c1 PI-32462 [0,0,1,1,0,0|2,0,0]=4 606 B8R1.4 Cc1ccnc(n1)N PI-21305 [0,0,1,1,0,0|2,0,0]=4 607 B8R1.4 Nc1cc[nH]c(=O)n1 PI-16002 [0,0,1,1,0,0|2,0,0]=4 608 B8R1.4 Nc1cccc(F)c1 PI-16946 [0,0,1,1,0,0|1,0,1]=4 609 B8R1.4 Nc1cccc(F)n1 PI-15934 [0,0,1,1,0,0|2,0,0]=4 610 B8R1.4 Nc1cccc(N)n1 PI-33126 [0,0,1,1,0,0|2,0,0]=4 611 B8R1.4 Nc1cccc(S)c1 PI-21351 [0,0,1,1,0,0|0,1,1]=4 612 B8R1.4 Nc1cccc(n1)Cl PI-27605 [0,0,1,1,0,0|2,0,0]=4 613 B8R1.4 O=C1C=CC=C(Cl)N1 PI-35283 [0,0,1,1,0,0|2,0,0]=4 614 B8R1.5 BrC1=NC=CC=C1N PI-28492 [0,0,1,1,0,0|2,0,0]=4 615 B8R1.5 C1=C(C(=O)NC=N1)N PI-45141 [0,0,1,1,0,0|2,0,0]=4 616 B8R1.5 C1=CC(=C(N=C1)F)N PI-16374 [0,0,1,1,0,0|2,0,0]=4 617 B8R1.5 C1=CC=C(C(=C1)N)I PI-10964 [0,0,1,1,0,0|1,0,1]=4 618 B8R1.5 C1=CC=C(C(=C1)N)N PI-17100 [0,0,1,1,0,0|1,0,1]=4 619 B8R1.5 C1=CN=C(C(=N1)C)N PI-40999 [0,0,1,1,0,0|2,0,0]=4 620 B8R1.5 C1=CNC(=O)C(=C1)Cl PI-35282 [0,0,1,1,0,0|2,0,0]=4 621 B8R1.5 C1=CNC(=O)C(=C1)F PI-34509 [0,0,1,1,0,0|2,0,0]=4 622 B8R1.5 C1=CNC(=O)C(=C1)N PI-10375 [0,0,1,1,0,0|1,0,0]=3 623 B8R1.5 C1=CNC(=S)C(=C1)N PI-36113 [0,0,1,1,0,0|1,1,0]=4 624 B8R1.5 C1=CNC=C(C1=O)N PI-28705 [0,0,1,1,0,0|1,0,1]=4 625 B8R1.5 CC1=C(C=CC=N1)Br PI-23460 [0,0,1,1,0,0|2,0,0]=4 626 B8R1.5 CC1=C(C=CN=C1)N PI-14242 [0,0,1,1,0,0|2,0,0]=4 627 B8R1.5 CC1=C(N=CC=C1)N PI-33812 [0,0,1,1,0,0|2,0,0]=4 628 B8R1.5 CC1=CC=CC=C1I PI-10980 [0,0,1,1,0,0|2,0,0]=4 629 B8R1.5 CC1=CC=CC=[N+]1N PI-45950 [0,0,1,1,0,0|2,0,0]=4 630 B8R1.5 CC1=NC=CNC1=O PI-40998 [0,0,1,1,0,0|2,0,0]=4 631 B8R1.5 Cc1ccccc1F PI-34118 [0,0,1,1,0,0|2,0,0]=4 632 B8R1.5 Cc1ccncc1N PI-24336 [0,0,1,1,0,0|2,0,0]=4 633 B8R1.5 Nc1cccnc1C PI-13066 [0,0,1,1,0,0|1,0,0]=3 634 B8R1.5 Nc1cccnc1Cl PI-24529 [0,0,1,1,0,0|2,0,0]=4 635 B8R1.5 Nc1cccnc1N PI-10159 [0,0,1,1,0,0|2,0,0]=4 636 B8R1.5 O=c1[nH]cccc1C PI-16687 [0,0,1,1,0,0|2,0,0]=4 637 B8R1.5 Oc1cccnc1C PI-13315 [0,0,1,1,0,0|2,0,0]=4 638 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [0,0,0,1,0,1|1,0,0]=3 639 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [1,0,0,0,0,1|0,0,1]=3 640 B8R1.2 C1=CN=CN=C1C=O PI-34868 [1,0,0,0,0,1|0,0,1]=3 641 B8R1.2 CCC1=CC=CC=N1 PI-49466 [1,0,0,0,0,1|0,0,2]=4 642 B8R1.2 CCC1=NC=CN=C1 PI-11040 [1,0,0,0,0,1|0,0,2]=4 643 B8R1.2 CNC1=CC=CC=N1 PI-11864 [1,0,0,0,0,1|1,0,1]=4 644 B8R1.2 CNC1=CC=NC=C1 PI-23603 [1,0,0,0,0,1|2,0,0]=4 645 B8R1.2 CNC1=CN=CC=C1 PI-11328 [1,0,0,0,0,1|1,0,1]=4 646 B8R1.2 COC1=CC=CC=N1 PI-33887 [1,0,0,0,0,1|1,0,1]=4 647 B8R1.2 COC1=CC=NC=C1 PI-10034 [1,0,0,0,0,1|2,0,0]=4 648 B8R1.2 COC1=CN=CC=C1 PI-33889 [1,0,0,0,0,1|1,0,1]=4 649 B8R1.2 COC1=NC=CN=C1 PI-11859 [1,0,0,0,0,1|1,0,1]=4 650 B8R1.2 CSC1=CC=CC=N1 PI-16757 [1,0,0,0,0,1|1,0,1]=4 651 B8R1.2 CSC1=NC=CN=C1 PI-11048 [1,0,0,0,0,1|1,0,1]=4 652 B8R1.2 O=Cc1ccccn1 PI-33895 [1,0,0,0,0,1|0,0,1]=3 653 B8R1.2 O=Cc1cccnc1 PI-33908 [1,0,0,0,0,1|0,0,1]=3 654 B8R1.2 O=Cc1ccncc1 PI-13140 [1,0,0,0,0,1|1,0,0]=3 655 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-13521 [0,0,0,0,0,2|1,0,1]=4 656 B10R1.18 C1=CC(=CN=C1)CC(=O)O PI-16758 [0,0,0,0,0,2|1,0,1]=4 657 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,0,0,0,2|2,0,0]=4 658 B10R1.18 C1=CC=NC(=C1)CC(=O)O PI-16725 [0,0,0,0,0,2|1,0,1]=4 659 B10R1.18 CC(=CC1=CC=CC=C1)C PI-47118 [0,0,0,0,0,2|2,0,0]=4 660 B10R1.18 CC(=O)CC1=CC=NC=C1 PI-24530 [0,0,0,0,0,2|1,0,0]=3 661 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-17935 [0,0,0,0,0,2|2,0,0]=4 662 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 PI-30609 [0,0,0,0,0,2|2,0,0]=4 663 B10R1.18 CC(=O)NC1=NC=CC=N1 PI-44088 [0,0,0,0,0,2|0,0,1]=3 664 B10R1.18 CC(CC1=NC=CC=C1)=O PI-41787 [0,0,0,0,0,2|0,0,1]=3 665 B10R1.18 OC(=O)Cc1cccnc1 PI-28588 [0,0,0,0,0,2|1,0,1]=4 666 B10R1.18 OC(=O)Cc1ccncc1 PI-16726 [0,0,0,0,0,2|2,0,0]=4 667 B10R1.66 CC(=O)C=CC1=CC=CO1 PI-17492 [0,0,0,0,0,2|1,0,0]=3 668 B10R1.66 CC(=O)C=CC1=CC=CS1 PI-29954 [0,0,0,0,0,2|1,0,0]=3 669 B10R1.66 OC(=O)CCc1cccs1 PI-24513 [0,0,0,0,0,2|2,0,0]=4 670 B10R1.66 OC(=O)\C=C\c1ccco1 PI-28626 [0,0,0,0,0,2|2,0,0]=4 671 B10R1.66 OC(=O)\C=C\c1ccco1 PI-31027 [0,0,0,0,0,2|2,0,0]=4 672 B10R1.66 OC(=O)\C=C\c1cccs1 PI-28053 [0,0,0,0,0,2|2,0,0]=4 673 B10R1.66 OC(=O)\C=C\c1cccs1 PI-39126 [0,0,0,0,0,2|2,0,0]=4