0 B9R1.35 B(C1=CC=C(O1)C)(O)O PI-18768 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.35 B(C1=CC=C(S1)Br)(O)O PI-25214 [0,0,0,0,0,0|1,1,1]=3 2 B9R1.35 B(C1=CC=C(S1)C)(O)O PI-25216 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 B(C1=CC=C(S1)Cl)(O)O PI-25215 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 C1=C(NC(=N1)Cl)[N+](=O)[O-] PI-44934 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [0,0,0,0,0,0|1,2,0]=3 10 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [0,0,0,0,0,0|0,2,0]=2 11 B9R1.35 C1=C(OC(=C1)Br)[N+](=O)[O-] PI-17302 [0,0,0,0,0,0|1,2,1]=4 12 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [0,0,0,0,0,0|1,1,0]=2 13 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [0,0,0,0,0,0|1,1,0]=2 14 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [0,0,0,0,0,0|1,1,0]=2 15 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [0,0,0,0,0,0|0,1,0]=1 16 B9R1.35 C1=C(SC(=C1)Br)[N+](=O)[O-] PI-16497 [0,0,0,0,0,0|1,1,1]=3 17 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [0,0,0,0,0,0|0,0,0]=0 18 B9R1.35 C1=C(SC(=N1)Br)C(=O)O PI-25655 [0,0,0,0,0,0|1,1,0]=2 19 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 C1=C(SC=C1C(=O)N)Br PI-44107 [0,0,0,0,0,0|3,1,0]=4 21 B9R1.35 C1C(C=CC1N)C(=O)O PI-17016 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [0,0,0,0,0,0|3,1,0]=4 23 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [0,0,0,0,0,0|1,1,0]=2 24 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [0,0,0,0,0,0|1,1,0]=2 25 B9R1.35 CC(=O)C1=NC=C(S1)Br PI-43922 [0,0,0,0,0,0|2,1,0]=3 26 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.35 CC(C1=CN=C(N)S1)=O PI-46739 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [0,0,0,0,0,0|2,1,0]=3 30 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [0,0,0,0,0,0|1,1,0]=2 31 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [0,0,0,0,0,0|1,0,0]=1 33 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.35 O=C(C1=NN=C(C)S1)[O-] PI-40879 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [0,0,0,0,0,0|2,1,0]=3 42 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [0,0,0,0,0,0|2,1,0]=3 44 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.35 OC(=O)c1cc(no1)Br PI-39414 [0,0,0,0,0,0|3,1,0]=4 46 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [0,0,0,0,0,0|1,1,0]=2 47 B9R1.35 [O-][N+](=O)c1cnc(N)s1 PI-11120 [0,0,0,0,0,0|3,0,1]=4 48 B9R1.35 [O-][N+](=O)c1cnc(s1)Br PI-22209 [0,0,0,0,0,0|2,1,1]=4 49 B8R1.1 BrC1=CC=C(S1)C#N PI-40827 [1,0,0,0,0,0|1,1,1]=4 50 B8R1.1 Brc1cc(oc1)C=O PI-21495 [1,0,0,0,0,0|2,1,0]=4 51 B8R1.1 Brc1cc(sc1)C=O PI-16278 [1,0,0,0,0,0|2,1,0]=4 52 B8R1.1 Brc1ccc(C=O)o1 PI-31098 [1,0,0,0,0,0|0,2,0]=3 53 B8R1.1 Brc1ccc(C=O)s1 PI-35909 [1,0,0,0,0,0|0,1,0]=2 54 B8R1.1 Brc1cnc(s1)C=O PI-39227 [1,0,0,0,0,0|1,1,0]=3 55 B8R1.1 Brc1ncc(s1)C=O PI-25590 [1,0,0,0,0,0|1,1,0]=3 56 B8R1.1 C1=C(OC(=C1)I)C=O PI-31133 [1,0,0,0,0,0|0,2,0]=3 57 B8R1.1 C1=C(SC(=C1)Br)CO PI-45451 [1,0,0,0,0,0|0,1,1]=3 58 B8R1.1 C1=C(SC(=C1)Cl)C=O PI-30886 [1,0,0,0,0,0|0,0,0]=1 59 B8R1.1 C1=C(SC(=C1)Cl)CCl PI-27377 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.1 C1=C(SC(=C1)Cl)CO PI-45044 [1,0,0,0,0,0|0,0,1]=2 61 B8R1.1 C1=C(SC(=N1)N)C=O PI-14095 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [1,0,0,0,0,0|1,1,0]=3 63 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.1 CC1=NC(=CS1)C=O PI-39568 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.1 C[N]1C=CC(=N1)C=O PI-39712 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [1,0,0,0,0,0|1,0,0]=2 67 B8R1.1 ClCc1cnc(s1)Cl PI-11121 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.1 O=CC1=CN=C(C)S1 PI-39711 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.1 O=CC1=CN=C(Cl)S1 PI-41521 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.1 O=CC1=CSC(Br)=N1 PI-25631 [1,0,0,0,0,0|2,1,0]=4 71 B8R1.1 OCC1=CN=C(Cl)S1 PI-46742 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.7 C1=C(C=NO1)C(=O)O PI-14897 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.7 C1=C(N=NS1)C(=O)O PI-28513 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.7 C1=C(ON=C1)C(=O)Cl PI-29789 [1,0,0,0,0,0|2,1,0]=4 76 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [1,0,0,0,0,0|1,1,0]=3 81 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.7 C1=COC=C1C(=O)O PI-16502 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.7 C1=CON=C1C(=O)O PI-48871 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [1,0,0,0,0,0|1,0,0]=2 86 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [1,0,0,0,0,0|0,0,1]=2 87 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] PI-10995 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.7 C1=CSC(=N1)C(=N)N PI-45383 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.7 C1C=CCC1C(=O)O PI-33725 [1,0,0,0,0,0|1,0,2]=4 91 B8R1.7 C1CC=C(C1)C(=O)O PI-30173 [1,0,0,0,0,0|1,0,2]=4 92 B8R1.7 C1COC=C1C(=O)O PI-48370 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.7 CC(=O)C1=CC=NN1 PI-44747 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.7 CC(=O)C1=CN=CN1 PI-45218 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.7 CC(=O)C1=CN=CN1 PI-45286 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.7 CC(=O)c1cscc1 PI-16499 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.7 CC(C1=CC=CS1)O PI-12508 [1,0,0,0,0,0|1,0,1]=3 99 B8R1.7 CC(C1=CC=C[CH-]1)O PI-44457 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.7 CC(C1=NC=CN1)=O PI-39737 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.7 CC(N)C1=CC=CS1 PI-40007 [1,0,0,0,0,0|2,0,1]=4 102 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [1,0,0,0,0,0|1,0,1]=3 103 B8R1.7 ClC(=O)c1cscc1 PI-10762 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.7 NC(=S)c1ccco1 PI-19230 [1,0,0,0,0,0|1,2,0]=4 105 B8R1.7 NC(=S)c1cccs1 PI-39110 [1,0,0,0,0,0|1,1,0]=3 106 B8R1.7 OB(c1ccco1)O PI-33002 [1,0,0,0,0,0|1,1,1]=4 107 B8R1.7 OB(c1cccs1)O PI-16529 [1,0,0,0,0,0|1,0,1]=3 108 B8R1.7 OC(=O)C1=CNN=N1 PI-40359 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.7 OC(=O)[C@H]1NCC=C1 PI-38250 [1,0,0,0,0,0|1,0,2]=4 110 B8R1.7 OC(=O)c1c[nH]nc1 PI-32193 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [1,0,0,0,0,0|1,0,0]=2 113 B8R1.7 OC(=O)c1cccs1 PI-38239 [1,0,0,0,0,0|0,0,0]=1 114 B8R1.7 OC(=O)c1ccno1 PI-29335 [1,0,0,0,0,0|1,1,0]=3 115 B8R1.7 OC(=O)c1cocn1 PI-43182 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.7 OC(=O)c1cscc1 PI-10764 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.7 OC(=O)c1cscn1 PI-28011 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.7 OC(=O)c1n[nH]cn1 PI-10407 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.7 OC(=O)n1scc[nH]1 PI-29827 [1,0,0,0,0,0|2,0,0]=3 120 B10R1.14 C1=C(C(OC)=O)N=C(S1)Cl PI-41958 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.14 C1=C(OC(=C1)Br)C(=O)NN PI-21498 [0,1,0,0,0,0|1,2,0]=4 122 B10R1.14 C1=C(SC(=C1)Br)C(=O)CBr PI-20587 [0,1,0,0,0,0|1,1,0]=3 123 B10R1.14 C1=C(SC(=C1)Br)C(=O)NN PI-22618 [0,1,0,0,0,0|1,1,0]=3 124 B10R1.14 C1=C(SC(=C1)Cl)C(=O)NN PI-29504 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [0,1,0,0,0,0|1,1,0]=3 126 B10R1.14 CC1=NC(=CO1)C(=O)OC PI-48165 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.14 CCC(=O)C1=CC=C(O1)C PI-17359 [0,1,0,0,0,0|2,1,0]=4 128 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [0,1,0,0,0,0|0,2,0]=3 129 B10R1.14 COC(=O)C1=CC=C(S1)Cl PI-45460 [0,1,0,0,0,0|0,0,0]=1 130 B10R1.14 COC(=O)C1=CN=C(S1)Br PI-25654 [0,1,0,0,0,0|1,1,0]=3 131 B10R1.14 COC(=O)C1=CSC(=N1)Br PI-25237 [0,1,0,0,0,0|2,1,0]=4 132 B10R1.14 COC(=O)C1=CSC(=N1)N PI-16259 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [0,1,0,0,0,0|2,1,0]=4 134 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [0,1,0,0,0,0|2,1,0]=4 135 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.14 COC(=O)c1cnc(s1)N PI-25778 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.14 ClCC(=O)c1ccc(Br)s1 PI-22620 [0,1,0,0,0,0|1,1,0]=3 140 B10R1.14 Clc1ccc(s1)C(=O)CBr PI-20667 [0,1,0,0,0,0|1,0,0]=2 141 B10R1.14 O=C(C1=CSC(Br)=C1)OC PI-46727 [0,1,0,0,0,0|2,1,0]=4 142 B10R1.14 O=C(C1=CSC(C)=N1)OC PI-40824 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.31 B(C1=CC=C(S1)C#N)(O)O PI-25424 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.31 B(C1=CC=C(S1)C=O)(O)O PI-25570 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.31 C1=C(SC(=C1)C(=O)O)C=O PI-29607 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.31 CC(=O)C1=CC=C(S1)C#N PI-26965 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.31 CCC1=NC=C(S1)C(=O)O PI-36607 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.31 N#Cc1c[nH]c(c1)C(=O)O PI-36278 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.31 O=Cc1ccc([nH]1)C(=O)O PI-36297 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.31 O=Cc1ccc(o1)C(=O)O PI-17709 [0,1,0,0,0,0|1,1,0]=3 153 B10R1.31 O=Cc1ccc(s1)[N+](=O)[O-] PI-12038 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.31 OCc1ccc(o1)C(=O)O PI-19793 [0,1,0,0,0,0|1,1,0]=3 155 B10R1.55 C1=C(SC(=C1)Br)S(=O)(=O)Cl PI-15582 [0,1,0,0,0,0|1,1,1]=4 156 B10R1.55 C1=C(SC(=C1)Br)S(=O)(=O)N PI-29672 [0,1,0,0,0,0|1,1,1]=4 157 B10R1.55 C1=C(SC(=C1)Cl)S(=O)(=O)Cl PI-20246 [0,1,0,0,0,0|1,0,1]=3 158 B10R1.55 C1=C(SC(=C1)Cl)S(=O)(=O)N PI-26717 [0,1,0,0,0,0|1,0,1]=3 159 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 PI-34742 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.58 CC1=C(SC(=C1)C(=O)O)C PI-29578 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.58 OC(=O)c1cc(c(s1)Br)C PI-39423 [0,1,0,0,0,0|0,1,0]=2 162 B10R1.58 OC(=O)c1cc(c(s1)Br)Cl PI-39422 [0,1,0,0,0,0|0,1,0]=2 163 B10R1.58 OC(=O)c1nn(C)c(C)c1 PI-21985 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.58 OC(=O)c1oc(C)c(C)c1 PI-17532 [0,1,0,0,0,0|1,1,0]=3 165 B10R1.58 OC(=O)c1sc(Br)c(Br)c1 PI-26016 [0,1,0,0,0,0|0,1,0]=2 166 B10R1.59 Brc1sc(c(c1)C(=O)O)Br PI-35047 [0,1,0,0,0,0|2,1,0]=4 167 B10R1.59 C1=C(SC(=C1C(=O)Cl)Cl)Cl PI-26753 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O PI-49746 [0,1,0,0,0,0|0,2,0]=3 169 B10R1.59 CC1=C(SC(=N1)C)C(=O)O PI-21993 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.59 CC1=C(SC(=N1)N)C(=O)C PI-26047 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PI-29708 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.59 Cc1nc(c(s1)C(=O)C)C PI-11114 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.59 Cc1sc(c(c1)C(=O)O)C PI-29415 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.59 Clc1sc(Cl)c(c1)C(=O)C PI-21085 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.59 Clc1sc(c(c1)C(=O)O)Cl PI-18502 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.59 Cn1cc(Br)c(n1)C(=O)O PI-22168 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.59 O=C(C1=C(Cl)SC(Cl)=N1)O PI-46772 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [0,1,0,0,0,0|2,1,0]=4 180 B10R1.194 OC(=O)c1snc(c1Cl)Cl PI-34849 [0,1,0,0,0,0|3,0,0]=4 181 B8R0.23 CC(=O)NC(=C)C(=O)O PI-26724 [0,0,1,0,0,0|2,0,1]=4 182 B8R0.28 CC(=C\C=C\C(=O)C)C PI-48754 [0,0,1,0,0,0|3,0,0]=4 183 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [0,0,0,0,0,1|1,1,0]=3 184 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [0,0,0,0,0,1|1,1,0]=3 185 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [0,0,0,0,0,1|1,1,0]=3 186 B10R1.13 C1=C(C=NC(=N1)C(=O)O)Br PI-32859 [0,0,0,0,0,1|2,1,0]=4 187 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [0,0,0,0,0,1|2,1,0]=4 190 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [0,0,0,0,0,1|2,0,0]=3 191 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [0,0,0,0,0,1|3,0,0]=4 192 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [0,0,0,0,0,1|1,1,0]=3 193 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [0,0,0,0,0,1|2,0,0]=3 194 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [0,0,0,0,0,1|1,1,1]=4 195 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [0,0,0,0,0,1|2,1,0]=4 196 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [0,0,0,0,0,1|2,0,1]=4 197 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [0,0,0,0,0,1|2,0,0]=3 198 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [0,0,0,0,0,1|1,0,0]=2 200 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [0,0,0,0,0,1|1,1,0]=3 201 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [0,0,0,0,0,1|2,0,0]=3 202 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [0,0,0,0,0,1|2,0,0]=3 203 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [0,0,0,0,0,1|1,1,0]=3 204 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [0,0,0,0,0,1|2,1,0]=4 206 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [0,0,0,0,0,1|3,0,0]=4 207 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [0,0,0,0,0,1|2,1,0]=4 209 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [0,0,0,0,0,1|2,1,0]=4 210 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [0,0,0,0,0,1|2,0,1]=4 212 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [0,0,0,0,0,1|3,0,0]=4 214 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [0,0,0,0,0,1|2,0,1]=4 216 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [0,0,0,0,0,1|2,0,1]=4 217 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [0,0,0,0,0,1|2,0,0]=3 219 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [0,0,0,0,0,1|3,0,0]=4 220 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [0,0,0,0,0,1|3,0,0]=4 221 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [0,0,0,0,0,1|2,0,0]=3 222 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [0,0,0,0,0,1|2,1,0]=4 223 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [0,0,0,0,0,1|3,0,0]=4 224 B10R1.13 Clc1ccc(cc1)B(O)O PI-10311 [0,0,0,0,0,1|2,0,1]=4 225 B10R1.13 Clc1ccc(cn1)B(O)O PI-25579 [0,0,0,0,0,1|2,0,1]=4 226 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [0,0,0,0,0,1|2,0,0]=3 227 B10R1.13 Clc1ccc(cn1)[N+](=O)[O-] PI-23540 [0,0,0,0,0,1|2,0,1]=4 228 B10R1.13 Clc1ccc(nc1)[N+](=O)[O-] PI-10384 [0,0,0,0,0,1|2,0,1]=4 229 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [0,0,0,0,0,1|1,1,0]=3 230 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [0,0,0,0,0,1|2,1,0]=4 232 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [0,0,0,0,0,1|2,1,0]=4 233 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [0,0,0,0,0,1|3,0,0]=4 234 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [0,0,0,0,0,1|3,0,0]=4 235 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [0,0,0,0,0,1|2,0,0]=3 236 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [0,0,0,0,0,1|2,1,0]=4 237 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [0,0,0,0,0,1|3,0,0]=4 238 B10R1.13 OC(=O)c1ccc(nn1)Cl PI-38350 [0,0,0,0,0,1|1,0,0]=2 239 B10R1.13 OC(=O)c1cnc(cn1)Cl PI-38333 [0,0,0,0,0,1|2,0,0]=3 240 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [0,0,0,0,0,1|2,0,0]=3 241 B10R1.54 CC(=O)Cc1cnc(s1)N PI-15461 [0,0,0,0,0,1|3,0,0]=4 242 B10R1.54 CC(=O)NC1=NC=C(S1)Cl PI-26276 [0,0,0,0,0,1|2,0,0]=3 243 B10R1.54 CC(=O)NC1=NN=C(S1)Cl PI-45384 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.54 CC1=NN(C=C1)CC(=O)O PI-17370 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.54 Nc1nc(cs1)CC(=O)O PI-11022 [0,0,0,0,0,1|3,0,0]=4 246 B10R1.54 Nc1nc(cs1)CC(=O)O PI-12833 [0,0,0,0,0,1|3,0,0]=4 247 B10R1.113 B(C1=CC(=NC=C1)Cl)(O)O PI-25586 [0,0,0,0,0,1|2,0,1]=4 248 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [0,0,0,0,0,1|2,1,0]=4 249 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [0,0,0,0,0,1|1,1,0]=3 250 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [0,0,0,0,0,1|1,1,0]=3 251 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [0,0,0,0,0,1|1,1,0]=3 252 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [0,0,0,0,0,1|1,1,0]=3 253 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [0,0,0,0,0,1|1,0,0]=2 254 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [0,0,0,0,0,1|1,1,0]=3 255 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [0,0,0,0,0,1|2,0,0]=3 257 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,0,0,0,0,1|1,0,0]=2 259 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [0,0,0,0,0,1|2,1,0]=4 260 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [0,0,0,0,0,1|2,1,0]=4 261 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [0,0,0,0,0,1|1,1,0]=3 262 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [0,0,0,0,0,1|1,1,1]=4 263 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [0,0,0,0,0,1|2,0,0]=3 264 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [0,0,0,0,0,1|1,1,0]=3 265 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,0,0,0,0,1|1,0,0]=2 266 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [0,0,0,0,0,1|2,0,0]=3 267 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [0,0,0,0,0,1|2,0,0]=3 268 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [0,0,0,0,0,1|1,0,0]=2 269 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [0,0,0,0,0,1|1,0,0]=2 270 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [0,0,0,0,0,1|2,0,0]=3 271 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [0,0,0,0,0,1|2,0,0]=3 272 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [0,0,0,0,0,1|2,1,0]=4 273 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [0,0,0,0,0,1|2,1,0]=4 274 B10R1.113 CC(C1=CC(=CC=C1)Cl)O PI-32583 [0,0,0,0,0,1|2,0,1]=4 275 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [0,0,0,0,0,1|3,0,0]=4 276 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [0,0,0,0,0,1|2,0,0]=3 277 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [0,0,0,0,0,1|2,0,0]=3 278 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [0,0,0,0,0,1|3,0,0]=4 279 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [0,0,0,0,0,1|3,0,0]=4 280 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [0,0,0,0,0,1|2,0,0]=3 281 B10R1.113 Clc1cccc(c1)B(O)O PI-11573 [0,0,0,0,0,1|2,0,1]=4 282 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,0,0,0,0,1|1,0,0]=2 283 B10R1.113 Clc1cncc(c1)B(O)O PI-25937 [0,0,0,0,0,1|2,0,1]=4 284 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [0,0,0,0,0,1|2,0,0]=3 285 B10R1.113 Clc1nccc(c1)[N+](=O)[O-] PI-10054 [0,0,0,0,0,1|2,0,1]=4 286 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [0,0,0,0,0,1|2,1,0]=4 287 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [0,0,0,0,0,1|1,1,0]=3 288 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [0,0,0,0,0,1|1,1,0]=3 289 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [0,0,0,0,0,1|1,1,0]=3 290 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [0,0,0,0,0,1|1,1,0]=3 291 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [0,0,0,0,0,1|2,1,0]=4 292 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,0,0,0,0,1|2,0,0]=3 295 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [0,0,0,0,0,1|2,0,0]=3 296 B10R1.113 O=C(C1=NC(Cl)=CN=C1)O PI-37167 [0,0,0,0,0,1|1,0,0]=2 297 B10R1.113 O=[N+](C1=CC=CC(Cl)=N1)[O-] PI-37415 [0,0,0,0,0,1|2,0,1]=4 298 B10R1.113 OC(=O)c1cc(Cl)nnc1 PI-38264 [0,0,0,0,0,1|2,0,0]=3 299 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [0,0,0,0,0,1|2,0,0]=3 300 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [0,0,0,0,0,1|3,0,0]=4 302 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [0,0,0,0,0,1|2,0,0]=3 303 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [0,0,0,0,0,1|2,0,0]=3 304 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [0,0,0,0,0,1|3,0,0]=4 305 B7R0.4 CC=CC=CC(=O)[O-] PI-15818 [1,0,1,0,0,0|1,0,1]=4 306 B7R1.1 C#CC1=CC=CS1 PI-44556 [2,0,0,0,0,0|1,0,1]=4 307 B7R1.1 C1=C(N=CS1)C=O PI-25454 [2,0,0,0,0,0|2,0,0]=4 308 B7R1.1 C1=C(NC=N1)C=O PI-34783 [2,0,0,0,0,0|2,0,0]=4 309 B7R1.1 C1=C(SC=N1)CO PI-12202 [2,0,0,0,0,0|1,0,1]=4 310 B7R1.1 C1=CNC=C1C=O PI-34088 [2,0,0,0,0,0|2,0,0]=4 311 B7R1.1 C1=CSC(=C1)C=O PI-44709 [2,0,0,0,0,0|0,0,0]=2 312 B7R1.1 C1=CSC(=C1)CCl PI-50490 [2,0,0,0,0,0|1,0,1]=4 313 B7R1.1 C1=CSC(=C1)CO PI-11151 [2,0,0,0,0,0|0,0,1]=3 314 B7R1.1 CCC1=CC=CS1 PI-10993 [2,0,0,0,0,0|1,0,1]=4 315 B7R1.1 COc1cccs1 PI-33573 [2,0,0,0,0,0|2,0,0]=4 316 B7R1.1 N#Cc1cccs1 PI-10787 [2,0,0,0,0,0|1,0,1]=4 317 B7R1.1 NCc1cccs1 PI-11152 [2,0,0,0,0,0|1,0,1]=4 318 B7R1.1 O=CC1=NC=CO1 PI-39572 [2,0,0,0,0,0|1,1,0]=4 319 B7R1.1 O=Cc1cc[nH]n1 PI-39063 [2,0,0,0,0,0|2,0,0]=4 320 B7R1.1 O=Cc1ccc[nH]1 PI-16523 [2,0,0,0,0,0|1,0,0]=3 321 B7R1.1 O=Cc1cnco1 PI-38922 [2,0,0,0,0,0|1,1,0]=4 322 B7R1.1 O=Cc1cncs1 PI-25019 [2,0,0,0,0,0|1,0,0]=3 323 B7R1.1 O=Cc1cscc1 PI-10763 [2,0,0,0,0,0|2,0,0]=4 324 B7R1.1 O=Cc1ncc[nH]1 PI-24015 [2,0,0,0,0,0|2,0,0]=4 325 B7R1.1 O=Cc1nccs1 PI-11133 [2,0,0,0,0,0|1,0,0]=3 326 B7R1.1 OCc1nccs1 PI-38807 [2,0,0,0,0,0|1,0,1]=4 327 B7R1.2 C1=C(Br)SC(=C1)Br PI-11156 [2,0,0,0,0,0|1,1,0]=4 328 B7R1.2 C1=C(SC(=C1)Br)Cl PI-20666 [2,0,0,0,0,0|1,0,0]=3 329 B7R1.2 C1=C(SC(=C1)Br)N PI-45449 [2,0,0,0,0,0|1,1,0]=4 330 B7R1.2 C1=C(SC(=C1)Cl)Cl PI-11157 [2,0,0,0,0,0|1,0,0]=3 331 B7R1.2 C1=C(SC(=C1)I)I PI-21280 [2,0,0,0,0,0|1,1,0]=4 332 B7R1.2 C1=C(SC(=N1)Cl)Br PI-45403 [2,0,0,0,0,0|2,0,0]=4 333 B7R1.2 CC1=CC=C(S1)Br PI-11164 [2,0,0,0,0,0|0,1,1]=4 334 B7R1.2 CC1=CC=C(S1)C PI-11158 [2,0,0,0,0,0|1,0,1]=4 335 B7R1.2 CC1=CN=C(S1)Cl PI-11122 [2,0,0,0,0,0|1,0,1]=4 336 B7R1.2 Cc1ccc(s1)Cl PI-29205 [2,0,0,0,0,0|0,0,1]=3 337 B7R1.2 ClC1=CN=C(N)S1 PI-46774 [2,0,0,0,0,0|2,0,0]=4 338 B7R1.2 O=C1C=CC(=O)N1 PI-29681 [2,0,0,0,0,0|2,0,0]=4 339 B7R1.2 O=C1OC=C(Cl)O1 PI-38606 [2,0,0,0,0,0|1,1,0]=4 340 B9R1.7 C1=C(SC(=C1)Br)C=NO PI-29348 [1,1,0,0,0,0|0,1,0]=3 341 B9R1.21 C1=C(OC(=C1)C=O)C=O PI-17242 [1,1,0,0,0,0|1,1,0]=4 342 B9R1.21 CCC1=CC=C(O1)C=O PI-17705 [1,1,0,0,0,0|1,1,0]=4 343 B9R1.21 CSc1ccc(s1)C=O PI-29388 [1,1,0,0,0,0|1,0,0]=3 344 B9R1.21 O=Cc1ccc(s1)C=O PI-38735 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.22 C(=O)C1=C(N=C(S1)Cl)Cl PI-40538 [1,1,0,0,0,0|1,0,0]=3 346 B9R1.22 CC1=C(SC(=N1)C)C=O PI-45390 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.22 O=Cc1[nH]c(cc1C)C PI-21987 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.23 C1=C(OC(=C1Br)Br)C=O PI-10091 [1,1,0,0,0,0|0,2,0]=4 349 B9R1.23 CC1=C(SC(=N1)C=O)C PI-45028 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.23 O=Cc1sc(Br)c(Br)c1 PI-29531 [1,1,0,0,0,0|0,1,0]=3 351 B9R1.11 C1=COC(=C1)C(=NO)N PI-19376 [1,1,0,0,0,0|1,1,0]=4 352 B9R1.11 C1=CSC(=C1)C(=NO)N PI-29669 [1,1,0,0,0,0|1,0,0]=3 353 B9R1.11 C1=CSC(=C1)C(=O)CCl PI-29443 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.11 C1=CSC(=N1)C(=O)CBr PI-45387 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.11 CCC(=O)C1=CC=CS1 PI-32561 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.11 CCC(=O)C1=NC=CS1 PI-48498 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.11 CCC(=O)c1ccco1 PI-17052 [1,1,0,0,0,0|1,1,0]=4 358 B9R1.11 COC(=O)C1=CC=CO1 PI-13054 [1,1,0,0,0,0|0,1,0]=3 359 B9R1.11 COC(=O)C1=CC=NN1 PI-50563 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.11 COC(=O)C1=CN=CN1 PI-40206 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.11 COC(=O)C1=CN=CS1 PI-25162 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.11 COC(=O)C1=COC=C1 PI-19097 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.11 COC(=O)c1cccs1 PI-30692 [1,1,0,0,0,0|0,0,0]=2 364 B9R1.11 NNC(=O)c1ccco1 PI-28398 [1,1,0,0,0,0|1,1,0]=4 365 B9R1.11 NNC(=O)c1cccs1 PI-18375 [1,1,0,0,0,0|1,0,0]=3 366 B9R1.11 O=C(C1=CC=CN1)OC PI-42625 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.11 O=C(C1=CNC=C1)OC PI-46831 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.19 C1=CSC(=C1)S(=O)(=O)N PI-29805 [1,1,0,0,0,0|1,0,1]=4 369 B9R1.19 CS(=O)(=O)C1=CC=CS1 PI-29538 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.19 ClS(=O)(=O)c1cccs1 PI-24139 [1,1,0,0,0,0|1,0,1]=4 371 B9R1.41 B(C1=C(C=CS1)Br)(O)O PI-29174 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.41 B(C1=C(C=CS1)C)(O)O PI-25259 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.41 C1=CSC(=C1Br)C(=O)Cl PI-29405 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [1,1,0,0,0,0|0,0,0]=2 376 B9R1.41 C1=CSC(=C1Cl)C(=O)Cl PI-20245 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.41 C1=CSC(=C1Cl)C(=O)N PI-29148 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [1,1,0,0,0,0|0,0,0]=2 379 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [1,1,0,0,0,0|0,1,0]=3 382 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [1,1,0,0,0,0|0,0,0]=2 386 B9R1.41 CC1=C(SC=N1)C(=O)O PI-11138 [1,1,0,0,0,0|1,0,0]=3 387 B9R1.41 CN1C=CN=C1C(=O)O PI-45034 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.41 Cn1cncc1C(=O)O PI-35821 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.41 NC(=O)c1sccc1N PI-14136 [1,1,0,0,0,0|1,0,0]=3 390 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.41 OC(=O)c1occc1Br PI-39205 [1,1,0,0,0,0|0,1,0]=3 392 B9R1.41 OC(=O)c1sccc1O PI-36902 [1,1,0,0,0,0|0,0,0]=2 393 B9R1.41 OC(=O)c1snnc1C PI-30234 [1,1,0,0,0,0|2,0,0]=4 394 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [0,1,0,0,0,1|1,1,0]=4 395 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O PI-46517 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.3 C1=CC(=CC=C1C(=O)O)NN PI-11467 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.3 C1=CC(=NC=C1C(=O)O)NN PI-35028 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.3 C1=CC(=NC=C1C=O)C(=O)O PI-43981 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [0,1,0,0,0,1|2,0,0]=4 403 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [0,1,0,0,0,1|2,0,0]=4 404 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [0,1,0,0,0,1|1,0,0]=3 405 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 PI-27393 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.3 OC(=O)c1ccc(cc1)C#N PI-31249 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.19 C1=CC(=CC=C1S(=O)(=O)O)Cl PI-21379 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.21 C1=C(C(=O)NC=C1C(=O)O)Cl PI-16724 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.21 C1=C(C=NC(=C1Br)F)C(=O)O PI-36514 [0,1,0,0,0,1|1,1,0]=4 414 B11R1.21 C1=C(C=NC(=C1Cl)Cl)C(=O)O PI-16262 [0,1,0,0,0,1|1,0,0]=3 415 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)Cl PI-24201 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [0,1,0,0,0,1|1,1,0]=4 420 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [0,1,0,0,0,1|1,1,0]=4 423 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [0,1,0,0,0,1|1,1,0]=4 426 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [0,1,0,0,0,1|1,1,0]=4 427 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [0,1,0,0,0,1|1,1,0]=4 428 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [0,1,0,0,0,1|1,1,0]=4 437 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [0,1,0,0,0,1|1,0,0]=3 438 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [0,1,0,0,0,1|1,1,0]=4 439 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [0,1,0,0,0,1|1,1,0]=4 441 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [0,1,0,0,0,1|1,1,0]=4 442 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [0,1,0,0,0,1|1,0,0]=3 444 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [0,1,0,0,0,1|1,0,0]=3 449 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [0,1,0,0,0,1|1,1,0]=4 450 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [0,1,0,0,0,1|1,1,0]=4 451 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [0,1,0,0,0,1|1,0,0]=3 453 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [0,1,0,0,0,1|1,0,0]=3 455 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.21 OC(=O)c1cnc(c(c1)Br)Cl PI-34711 [0,1,0,0,0,1|1,0,0]=3 458 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.22 C1=CC(=CC=C1C(=NO)N)Cl PI-30654 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,1,0,0,0,1|1,0,1]=4 463 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,1,0,0,0,1|1,1,0]=4 466 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,1,0,0,0,1|1,0,0]=3 467 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,1,0,0,0,1|1,1,0]=4 468 B11R1.22 C1=CC(=NC=C1C(=O)NN)Cl PI-50259 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [0,1,0,0,0,1|1,0,0]=3 470 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [0,1,0,0,0,1|1,1,0]=4 472 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [0,1,0,0,0,1|1,1,0]=4 473 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [0,1,0,0,0,1|1,1,0]=4 475 B11R1.22 COC(=O)C1=CN=C(C=N1)Cl PI-35905 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.22 COC(=O)C1=CN=C(N=C1)Cl PI-40861 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [0,1,0,0,0,1|1,1,0]=4 478 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,1,0,0,0,1|1,0,0]=3 479 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [0,1,0,0,0,1|1,1,0]=4 481 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [0,1,0,0,0,1|1,1,0]=4 486 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,1,0,0,0,1|1,1,0]=4 488 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,1,0,0,0,1|1,1,0]=4 489 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,1,0,0,0,1|1,1,0]=4 490 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,1,0,0,0,1|1,1,0]=4 491 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)N PI-30371 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)Cl PI-11845 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)N PI-35500 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,1,0,0,0,1|1,0,0]=3 495 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,1,0,0,0,1|1,1,0]=4 496 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,1,0,0,0,1|1,1,0]=4 497 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,1,0,0,0,1|1,1,0]=4 498 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,1,0,0,0,1|1,1,0]=4 502 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,1,0,0,0,1|1,1,0]=4 506 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O PI-13132 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O PI-18513 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 PI-16720 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)Cl PI-31177 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,1,0,0,0,1|1,0,0]=3 516 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,1,0,0,0,1|1,0,0]=3 517 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,1,0,0,0,1|1,0,0]=3 518 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,1,0,0,0,1|1,0,0]=3 519 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,1,0,0,0,1|1,1,0]=4 520 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,1,0,0,0,1|1,1,0]=4 521 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,1,0,0,0,1|1,1,0]=4 522 B11R1.166 Fc1cnc(c(c1)F)C(=O)O PI-38255 [0,1,0,0,0,1|1,1,0]=4 523 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,1,0,0,0,1|1,1,0]=4 524 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,1,0,0,0,1|1,1,0]=4 527 B11R1.166 OC(=O)c1cnc(cc1Cl)Cl PI-38189 [0,1,0,0,0,1|1,0,0]=3 528 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.645 CC1=C(SC(=S)N1)CC(=O)O PI-16051 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.23 C1=C(C=CC=C1C(OC)=O)O PI-18286 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CBr PI-20200 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)CCl PI-32569 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.23 C1=CC(=CC(=C1)Cl)C(=O)NN PI-23137 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.23 CC1=CC(=CC=C1)C(=O)OC PI-50285 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.23 CCC(=O)c1cccc(c1)Cl PI-13415 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.23 CNC(=O)c1cc(Cl)ccn1 PI-35278 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.23 COC(=O)C1=CC(=CC=C1)Br PI-29779 [0,1,0,0,0,1|1,1,0]=4 538 B11R1.23 COC(=O)C1=CC(=CC=C1)Cl PI-14890 [0,1,0,0,0,1|1,0,0]=3 539 B11R1.23 COC(=O)C1=CC(=CC=C1)F PI-34142 [0,1,0,0,0,1|1,1,0]=4 540 B11R1.23 COC(=O)C1=CC(=NC=C1)Cl PI-35024 [0,1,0,0,0,1|1,0,0]=3 541 B11R1.23 COC(=O)C1=CN=CC(=N1)Br PI-50062 [0,1,0,0,0,1|1,1,0]=4 542 B11R1.23 COC(=O)C1=NC(=CC=C1)Cl PI-35288 [0,1,0,0,0,1|1,0,0]=3 543 B11R1.23 COC(=O)C1=NC(=NC=C1)Cl PI-42080 [0,1,0,0,0,1|1,0,0]=3 544 B11R1.23 COC(=O)c1cc(Cl)ccn1 PI-34710 [0,1,0,0,0,1|1,0,0]=3 545 B11R1.23 COC(=O)c1cc(I)ccn1 PI-38432 [0,1,0,0,0,1|1,1,0]=4 546 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PI-38426 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.23 COC(=O)c1cccc(c1)N PI-10944 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.23 COC(=O)c1cccc(n1)Br PI-38915 [0,1,0,0,0,1|1,1,0]=4 549 B11R1.23 COC(=O)c1ccnc(c1)Br PI-39300 [0,1,0,0,0,1|1,1,0]=4 550 B11R1.23 COC(=O)c1ccnc(c1)N PI-27027 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.23 COC(=O)c1cncc(Br)c1 PI-22189 [0,1,0,0,0,1|1,1,0]=4 552 B11R1.23 COC(=O)c1cnnc(c1)Cl PI-38433 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.23 O=C(OC)C1=CC=CC(I)=C1 PI-41906 [0,1,0,0,0,1|1,1,0]=4 554 B11R1.74 C1=C(C=C(C=C1Br)I)C(=O)O PI-21371 [0,1,0,0,0,1|1,1,0]=4 555 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)Cl PI-11893 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)N PI-21002 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)O PI-11891 [0,1,0,0,0,1|1,0,0]=3 558 B11R1.74 C1=C(C=C(C=C1F)Br)C(=O)O PI-16064 [0,1,0,0,0,1|1,1,0]=4 559 B11R1.74 C1=C(C=C(C=C1N)N)C(=O)O PI-33050 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.74 C1=C(C=C(C=C1O)Br)C(=O)O PI-47172 [0,1,0,0,0,1|1,1,0]=4 561 B11R1.74 C1=C(C=C(C=C1O)Cl)C(=O)O PI-47171 [0,1,0,0,0,1|1,0,0]=3 562 B11R1.74 C1=C(C=C(N=C1C(=O)O)Cl)Cl PI-50621 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.74 C1=C(C=C(NC1=O)O)C(=O)O PI-41126 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl PI-29140 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)Cl PI-20177 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)O PI-49440 [0,1,0,0,0,1|1,0,0]=3 567 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,1,0,0,0,1|1,1,0]=4 569 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.74 Clc1cc(Br)cc(c1)C(=O)O PI-35805 [0,1,0,0,0,1|1,0,0]=3 571 B11R1.74 Fc1cc(F)cc(c1)C(=O)O PI-10428 [0,1,0,0,0,1|1,1,0]=4 572 B11R1.74 Ic1cc(I)cc(c1)C(=O)O PI-36327 [0,1,0,0,0,1|1,1,0]=4 573 B11R1.74 OC(=O)c1cc(Br)cc(c1)Br PI-20961 [0,1,0,0,0,1|1,1,0]=4 574 B11R1.74 OC(=O)c1cc(Cl)nc(c1)Cl PI-16190 [0,1,0,0,0,1|1,0,0]=3 575 B11R1.74 Oc1cc(O)cc(c1)C(=O)O PI-33401 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.159 C1=CC(=C(C(=C1)Br)N)C(=O)O PI-27326 [0,1,0,0,0,1|1,1,0]=4 577 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl PI-11727 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)Cl PI-20070 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O PI-16070 [0,1,0,0,0,1|1,0,0]=3 580 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O PI-18055 [0,1,0,0,0,1|1,1,0]=4 581 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)O PI-10290 [0,1,0,0,0,1|1,1,0]=4 582 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O PI-10452 [0,1,0,0,0,1|1,1,0]=4 583 B11R1.159 C1=CC(=C(C(=C1)N)F)C(=O)O PI-34457 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O PI-39985 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.159 C1=CC(=C(C(=C1)N)O)C(=O)O PI-14096 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O PI-16110 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.159 CC(=O)C1=C(C(=CC=C1)Cl)Cl PI-20997 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl PI-31520 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F PI-10191 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O PI-22125 [0,1,0,0,0,1|1,1,0]=4 594 B11R1.159 CC1=C(C=CC=C1O)C(=O)O PI-11926 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.159 CC1=C(N=CN=C1Cl)C(=O)O PI-36441 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.159 ClC1=NC=CC(=C1F)C(=O)O PI-34444 [0,1,0,0,0,1|1,0,0]=3 597 B11R1.159 NC(=O)c1cccc(c1F)Cl PI-30045 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.159 O=C(O)C1=CC=CC(N)=C1C PI-16107 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.159 O=C(O)C1=CC=NC(Br)=C1F PI-39723 [0,1,0,0,0,1|1,1,0]=4 600 B11R1.159 OC(=O)c1cccc(C)c1Br PI-22122 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.159 OC(=O)c1cccc(Cl)c1N PI-10209 [0,1,0,0,0,1|1,0,0]=3 602 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [0,1,0,0,0,1|1,1,0]=4 603 B11R1.159 OC(=O)c1cccc(I)c1N PI-35980 [0,1,0,0,0,1|1,1,0]=4 604 B11R1.159 OC(=O)c1cccc(O)c1N PI-30706 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.159 OC(=O)c1cccc(c1Br)F PI-10189 [0,1,0,0,0,1|1,1,0]=4 606 B11R1.159 OC(=O)c1cccc(c1F)Br PI-10188 [0,1,0,0,0,1|1,1,0]=4 607 B11R1.159 OC(=O)c1cccc(c1O)F PI-23590 [0,1,0,0,0,1|1,1,0]=4 608 B11R1.159 OC(=O)c1ccnc(c1N)Cl PI-38953 [0,1,0,0,0,1|1,0,0]=3 609 B11R1.167 Brc1ccc(I)c(c1)C(=O)O PI-21527 [0,1,0,0,0,1|1,1,0]=4 610 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br PI-27786 [0,1,0,0,0,1|1,1,0]=4 611 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl PI-28277 [0,1,0,0,0,1|1,1,0]=4 612 B11R1.167 Brc1ccc(c(c1)C(=O)O)F PI-16059 [0,1,0,0,0,1|1,1,0]=4 613 B11R1.167 Brc1cnc(N)c(c1)C(=O)O PI-22190 [0,1,0,0,0,1|1,1,0]=4 614 B11R1.167 C1=C(C(=NN=C1Cl)Cl)C(=O)O PI-41119 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O PI-12916 [0,1,0,0,0,1|1,1,0]=4 616 B11R1.167 C1=C(C(=O)NC=C1Cl)C(=O)O PI-30553 [0,1,0,0,0,1|1,0,0]=3 617 B11R1.167 C1=C(C=NC(=C1C(=O)O)Cl)Br PI-24300 [0,1,0,0,0,1|1,1,0]=4 618 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O PI-12030 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.167 C1=C(N=C(C(=N1)Br)C(=O)O)Br PI-45629 [0,1,0,0,0,1|1,1,0]=4 620 B11R1.167 C1=C(N=C(C(=N1)N)C(=O)O)Br PI-41222 [0,1,0,0,0,1|1,1,0]=4 621 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [0,1,0,0,0,1|1,1,0]=4 622 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)S PI-44100 [0,1,0,0,0,1|1,1,0]=4 623 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)Cl)F PI-28486 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)Cl PI-30757 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)N PI-30674 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [0,1,0,0,0,1|1,0,0]=3 627 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [0,1,0,0,0,1|1,0,0]=3 628 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [0,1,0,0,0,1|1,0,0]=3 629 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [0,1,0,0,0,1|1,0,0]=3 630 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [0,1,0,0,0,1|1,1,0]=4 631 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [0,1,0,0,0,1|1,1,0]=4 632 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl PI-44655 [0,1,0,0,0,1|1,1,0]=4 633 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)F PI-18130 [0,1,0,0,0,1|1,1,0]=4 634 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F PI-16066 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,1,0,0,0,1|1,1,0]=4 638 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,1,0,0,0,1|1,1,0]=4 639 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,1,0,0,0,1|2,0,0]=4 643 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,1,0,0,0,1|2,0,0]=4 644 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,1,0,0,0,1|2,0,0]=4 645 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,1,0,0,0,1|2,0,0]=4 646 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.167 Clc1ccc(c(c1)C(=O)Cl)Cl PI-12081 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.167 Clc1ccc(c(n1)C(=O)O)C PI-39087 [0,1,0,0,0,1|1,0,0]=3 650 B11R1.167 Clc1ccc(c(n1)C(=O)O)Cl PI-16736 [0,1,0,0,0,1|1,0,0]=3 651 B11R1.167 Clc1ncc(c(c1)C(=O)O)Br PI-36973 [0,1,0,0,0,1|1,0,0]=3 652 B11R1.167 Clc1ncc(c(c1)C(=O)O)Cl PI-38193 [0,1,0,0,0,1|1,0,0]=3 653 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [0,1,0,0,0,1|1,1,0]=4 654 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [0,1,0,0,0,1|1,1,0]=4 655 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,1,0,0,0,1|1,1,0]=4 656 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [0,1,0,0,0,1|1,1,0]=4 657 B11R1.167 Fc1ncc(c(c1)C(=O)O)N PI-32204 [0,1,0,0,0,1|1,1,0]=4 658 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [0,1,0,0,0,1|1,1,0]=4 659 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br PI-21526 [0,1,0,0,0,1|1,1,0]=4 660 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br PI-33365 [0,1,0,0,0,1|2,0,0]=4 663 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl PI-27966 [0,1,0,0,0,1|2,0,0]=4 664 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [0,1,0,0,0,1|1,1,0]=4 665 B11R1.167 Oc1ccc(c(c1)C(=O)O)F PI-23587 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [0,1,0,0,0,1|2,0,0]=4 667 B11R1.266 C1=CC(=CC(=C1)C(=O)Cl)CCl PI-35901 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N PI-16124 [0,1,0,0,0,1|2,0,0]=4 669 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CCl PI-27471 [0,1,0,0,0,1|1,0,0]=3 670 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-30963 [0,1,0,0,0,1|2,0,0]=4 671 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-33743 [0,1,0,0,0,1|2,0,0]=4 672 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.266 COC1=CC(=NC=C1)C(=O)O PI-26085 [0,1,0,0,0,1|2,0,0]=4 674 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [0,1,0,0,0,1|2,0,0]=4 675 B11R1.266 COC1=CC=CC(=N1)C(=O)O PI-28329 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.266 COC1=CN=CC(=C1)C(=O)O PI-39997 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.266 COC1=NC=CC(=C1)C(=O)O PI-28037 [0,1,0,0,0,1|2,0,0]=4 678 B11R1.266 COc1ccnc(c1)C(=O)O PI-26532 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.266 CSc1nccc(n1)C(=O)O PI-36376 [0,1,0,0,0,1|2,0,0]=4 680 B11R1.266 O=Cc1cccc(c1)C(=O)O PI-31248 [0,1,0,0,0,1|2,0,0]=4 681 B11R1.266 OCC1=CC=CC(=C1)C(O)=O PI-42488 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.15 CCOC(=O)C1=CC=C(O1)Br PI-44552 [0,2,0,0,0,0|0,2,0]=4 683 B11R1.15 CCOC(=O)C1=CC=C(S1)Cl PI-26757 [0,2,0,0,0,0|0,0,0]=2 684 B11R1.15 CCOC(=O)C1=CN=C(S1)Br PI-27579 [0,2,0,0,0,0|1,1,0]=4 685 B11R1.15 CCOC(=O)c1cnc(o1)Cl PI-38219 [0,2,0,0,0,0|1,1,0]=4 686 B11R1.15 CCOC(=O)c1cnc(s1)Cl PI-39163 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.15 ClC1=NN=C(S1)C(=O)OCC PI-34866 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.44 COC(=O)C1=CC=C(O1)C=O PI-44005 [0,2,0,0,0,0|1,1,0]=4 689 B11R1.44 COC(=O)c1ccc(o1)CCl PI-17913 [0,2,0,0,0,0|0,1,0]=3 690 B11R1.225 CC1=C(SC(=N1)N)C(=O)OC PI-11142 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.225 COC(=O)C1=C(SC(=C1)Cl)Cl PI-26139 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.226 O=C(C1=CC(Br)=C(Br)N1)OC PI-41786 [0,2,0,0,0,0|1,1,0]=4 693 B11R1.124 CCCC1=NC=C(S1)C(=O)O PI-36608 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.124 CCOC1=CC=C(O1)C(=O)O PI-19066 [0,2,0,0,0,0|1,1,0]=4 695 B11R1.175 B(C1=CC=C(S1)C(=O)C)(O)O PI-25325 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.175 C1=C(SC(=C1)C(=O)[O-])C(=O)[O-] PI-29711 [0,2,0,0,0,0|1,0,1]=4 697 B11R1.175 C1=C(SC(=C1)[N+](=O)[O-])C(=O)O PI-12039 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.175 CC(=O)c1ccc(s1)C(=O)O PI-29576 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.175 OB(c1ccc(s1)C(=O)O)O PI-21269 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.175 OC(=O)c1ccc(o1)C(=O)O PI-17251 [0,2,0,0,0,0|1,1,0]=4 701 B11R1.175 OC(=O)c1ccc(o1)[N+](=O)[O-] PI-30828 [0,2,0,0,0,0|1,1,0]=4 702 B11R1.175 OC(=O)c1ccc(s1)C(=O)O PI-12072 [0,2,0,0,0,0|1,0,0]=3 703 B11R1.79 Brc1cc(sc1Cl)S(=O)(=O)Cl PI-14394 [0,2,0,0,0,0|1,0,1]=4 704 B11R1.79 C1=C(SC(=C1Cl)Cl)S(=O)(=O)Cl PI-15242 [0,2,0,0,0,0|1,0,1]=4 705 B11R1.79 C1=C(SC(=C1Cl)Cl)S(=O)(=O)N PI-29401 [0,2,0,0,0,0|1,0,1]=4 706 B11R1.646 Clc1cc(Br)c(s1)S(=O)(=O)Cl PI-26213 [0,2,0,0,0,0|1,0,1]=4 707 B11R1.672 C1(=C(SC(=C1Cl)Cl)C(=O)Cl)Cl PI-29387 [0,2,0,0,0,0|1,0,0]=3 708 B11R1.672 C1(=C(SC(=C1Cl)Cl)C(=O)O)Cl PI-29409 [0,2,0,0,0,0|0,0,0]=2 709 B11R1.64 COC1=C(SC=C1C(=O)O)Cl PI-29118 [0,2,0,0,0,0|2,0,0]=4 710 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [0,0,1,1,0,0|2,0,0]=4 711 B9R1.6 OC(=O)c1cccnc1 PI-15824 [0,0,1,1,0,0|2,0,0]=4 712 B9R1.69 C1=CC(=C(C=C1Cl)Cl)S PI-21086 [0,0,1,1,0,0|2,0,0]=4 713 B9R1.69 C1=CC(=C(C=C1Cl)O)Br PI-34266 [0,0,1,1,0,0|2,0,0]=4 714 B9R1.69 C1=CC(=C(C=C1Cl)O)N PI-11790 [0,0,1,1,0,0|2,0,0]=4 715 B9R1.69 CC1=C(C=C(C=C1)Cl)O PI-28617 [0,0,1,1,0,0|2,0,0]=4 716 B9R1.69 ClC1=CC(=C(C=C1)F)O PI-10650 [0,0,1,1,0,0|2,0,0]=4 717 B9R1.69 Clc1ccc(c(c1)N)S PI-14245 [0,0,1,1,0,0|2,0,0]=4 718 B9R1.69 Clc1ccc(c(c1)O)O PI-11978 [0,0,1,1,0,0|1,1,0]=4 719 B9R1.69 OC1=CC(Cl)=CC=C1I PI-40949 [0,0,1,1,0,0|2,0,0]=4 720 B9R1.69 Oc1cc(Cl)ccc1Cl PI-34659 [0,0,1,1,0,0|2,0,0]=4 721 B9R1.2 Brc1cc(C=O)ncc1 PI-38308 [1,0,0,0,0,1|1,1,0]=4 722 B9R1.2 C1=C(C=NC=C1Cl)CO PI-34717 [1,0,0,0,0,1|1,0,1]=4 723 B9R1.2 C1=CC(=CC(=C1)I)C=O PI-27854 [1,0,0,0,0,1|1,1,0]=4 724 B9R1.2 C1=CC(=CC(=C1)N)C=O PI-27126 [1,0,0,0,0,1|2,0,0]=4 725 B9R1.2 C1=CC(=NC(=C1)Br)C=O PI-21494 [1,0,0,0,0,1|1,1,0]=4 726 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35291 [1,0,0,0,0,1|1,0,1]=4 727 B9R1.2 C1=CC(=NC(=C1)Cl)CO PI-35292 [1,0,0,0,0,1|1,0,1]=4 728 B9R1.2 C1=CN=C(C=C1Cl)CO PI-34715 [1,0,0,0,0,1|1,0,1]=4 729 B9R1.2 CC1=CC(=CC=C1)C=O PI-11938 [1,0,0,0,0,1|2,0,0]=4 730 B9R1.2 CC1=CC(=CN=C1)C=O PI-43924 [1,0,0,0,0,1|2,0,0]=4 731 B9R1.2 CC1=NC(=CC=C1)C=O PI-16691 [1,0,0,0,0,1|2,0,0]=4 732 B9R1.2 Clc1cc(C=O)ncc1 PI-39303 [1,0,0,0,0,1|1,0,0]=3 733 B9R1.2 FC1=NC(=CC=C1)C=O PI-39667 [1,0,0,0,0,1|1,1,0]=4 734 B9R1.2 O=Cc1cccc(c1)Br PI-34503 [1,0,0,0,0,1|1,1,0]=4 735 B9R1.2 O=Cc1cccc(c1)Cl PI-27742 [1,0,0,0,0,1|1,0,0]=3 736 B9R1.2 O=Cc1cccc(c1)F PI-11925 [1,0,0,0,0,1|1,1,0]=4 737 B9R1.2 O=Cc1cccc(c1)N PI-11906 [1,0,0,0,0,1|2,0,0]=4 738 B9R1.2 O=Cc1cccc(c1)O PI-34273 [1,0,0,0,0,1|2,0,0]=4 739 B9R1.2 O=Cc1ccnc(C)n1 PI-33598 [1,0,0,0,0,1|2,0,0]=4 740 B9R1.2 O=Cc1ccnc(c1)Br PI-27099 [1,0,0,0,0,1|1,1,0]=4 741 B9R1.2 O=Cc1ccnc(c1)Cl PI-31791 [1,0,0,0,0,1|1,0,0]=3 742 B9R1.2 OCc1cccc(c1)Cl PI-11919 [1,0,0,0,0,1|1,0,1]=4 743 B9R1.13 C1=CN(N=C1)CC(=O)O PI-35655 [1,0,0,0,0,1|2,0,0]=4 744 B9R1.13 C1=COC=C1CC(=O)O PI-36295 [1,0,0,0,0,1|2,0,0]=4 745 B9R1.13 C1=CSC(=C1)CC(=O)Cl PI-11881 [1,0,0,0,0,1|1,0,0]=3 746 B9R1.13 CC(=O)NC1=CC=CS1 PI-12512 [1,0,0,0,0,1|1,0,0]=3 747 B9R1.13 CC(=O)NC1=NC=CS1 PI-26514 [1,0,0,0,0,1|2,0,0]=4 748 B9R1.13 OC(=O)CC1=CC=C[CH-]1 PI-40764 [1,0,0,0,0,1|1,0,0]=3 749 B9R1.13 OC(=O)Cc1c[nH]cn1 PI-21909 [1,0,0,0,0,1|2,0,0]=4 750 B9R1.13 OC(=O)Cc1cccs1 PI-11148 [1,0,0,0,0,1|0,0,0]=2 751 B9R1.13 OC(=O)Cc1cscc1 PI-15240 [1,0,0,0,0,1|2,0,0]=4 752 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [0,0,0,0,0,2|1,1,0]=4 753 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [0,0,0,0,0,2|1,0,0]=3 754 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [0,0,0,0,0,2|2,0,0]=4 755 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [0,0,0,0,0,2|2,0,0]=4 756 B11R1.20 C1=CC(=NC=C1CC(=O)O)Cl PI-32201 [0,0,0,0,0,2|1,0,0]=3 757 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [0,0,0,0,0,2|2,0,0]=4 758 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [0,0,0,0,0,2|2,0,0]=4 759 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [0,0,0,0,0,2|1,1,0]=4 760 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [0,0,0,0,0,2|1,1,0]=4 761 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [0,0,0,0,0,2|2,0,0]=4 762 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [0,0,0,0,0,2|2,0,0]=4 763 B11R1.157 C1=CC(=CC(=C1)Br)CC(=O)O PI-22281 [0,0,0,0,0,2|1,1,0]=4 764 B11R1.157 C1=CC(=CC(=C1)Cl)CC(=O)O PI-16021 [0,0,0,0,0,2|1,0,0]=3 765 B11R1.157 C1=CC(=CC(=C1)I)CC(=O)O PI-30249 [0,0,0,0,0,2|1,1,0]=4 766 B11R1.157 OC(=O)Cc1cccc(c1)F PI-16930 [0,0,0,0,0,2|1,1,0]=4 767 B11R1.157 OC(=O)Cc1cccc(c1)N PI-31063 [0,0,0,0,0,2|2,0,0]=4 768 B11R1.157 OC(=O)Cc1cccc(c1)O PI-11931 [0,0,0,0,0,2|2,0,0]=4