0 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 PI-34742 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.58 CC1=C(SC(=C1)C(=O)O)C PI-29578 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.58 OC(=O)c1cc(c(s1)Br)C PI-39423 [0,0,0,0,0,0|0,1,0]=1 3 B10R1.58 OC(=O)c1cc(c(s1)Br)Cl PI-39422 [0,0,0,0,0,0|1,1,0]=2 4 B10R1.58 OC(=O)c1nn(C)c(C)c1 PI-21985 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.58 OC(=O)c1oc(C)c(C)c1 PI-17532 [0,0,0,0,0,0|1,1,0]=2 6 B10R1.58 OC(=O)c1sc(Br)c(Br)c1 PI-26016 [0,0,0,0,0,0|1,1,0]=2 7 B9R1.23 C1=C(OC(=C1Br)Br)C=O PI-10091 [1,0,0,0,0,0|1,2,0]=4 8 B9R1.23 CC1=C(SC(=N1)C=O)C PI-45028 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.23 O=Cc1sc(Br)c(Br)c1 PI-29531 [1,0,0,0,0,0|1,1,0]=3 10 B9R1.35 B(C1=CC(=CS1)C)(O)O PI-25213 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.35 B(C1=CC=C(S1)Br)(O)O PI-25214 [1,0,0,0,0,0|1,1,1]=4 12 B9R1.35 B(C1=CC=C(S1)C)(O)O PI-25216 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.35 B(C1=CC=C(S1)Cl)(O)O PI-25215 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.35 Brc1scc(c1)C(=O)O PI-35044 [1,0,0,0,0,0|2,1,0]=4 15 B9R1.35 C1=C(N=C(S1)Br)C(=O)O PI-25633 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.35 C1=C(N=C(S1)C(=O)O)Br PI-45389 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.35 C1=C(N=C(S1)N)C(=O)O PI-16258 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.35 C1=C(OC(=C1)Br)C(=O)Cl PI-21496 [1,0,0,0,0,0|1,2,0]=4 19 B9R1.35 C1=C(OC(=C1)Br)C(=O)O PI-21497 [1,0,0,0,0,0|0,2,0]=3 20 B9R1.35 C1=C(OC(=C1)N)C(=O)O PI-19351 [1,0,0,0,0,0|1,1,0]=3 21 B9R1.35 C1=C(SC(=C1)Br)C(=O)Cl PI-45457 [1,0,0,0,0,0|1,1,0]=3 22 B9R1.35 C1=C(SC(=C1)Br)C(=O)N PI-29907 [1,0,0,0,0,0|1,1,0]=3 23 B9R1.35 C1=C(SC(=C1)Br)C(=O)O PI-16448 [1,0,0,0,0,0|0,1,0]=2 24 B9R1.35 C1=C(SC(=C1)Br)[N+](=O)[O-] PI-16497 [1,0,0,0,0,0|1,1,1]=4 25 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O PI-30361 [1,0,0,0,0,0|0,0,0]=1 26 B9R1.35 C1=C(SC(=N1)Br)C(=O)O PI-25655 [1,0,0,0,0,0|1,1,0]=3 27 B9R1.35 C1=C(SC(=N1)C)C(=O)O PI-36606 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [1,0,0,0,0,0|1,1,0]=3 30 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [1,0,0,0,0,0|1,1,0]=3 31 B9R1.35 CC(=O)C1=NC=C(S1)Br PI-43922 [1,0,0,0,0,0|2,1,0]=4 32 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.35 CC(C1=CN=C(N)S1)=O PI-46739 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [1,0,0,0,0,0|2,1,0]=4 35 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [1,0,0,0,0,0|1,1,0]=3 36 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [1,0,0,0,0,0|0,0,0]=1 39 B9R1.35 Cc1cc(no1)C(=O)O PI-36872 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.35 Cc1nc(co1)C(=O)O PI-38605 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.35 Clc1ccc(s1)C(=O)Cl PI-26633 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.35 Cn1cc(nc1)C(=O)O PI-38169 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.35 Cn1ccc(n1)C(=O)O PI-38564 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.35 O=C(C1=CSC(Cl)=C1)O PI-46668 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.35 OC(=O)C1=CC(Br)=CN1 PI-39658 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.35 OC(=O)c1cc(Br)cs1 PI-29188 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.35 OC(=O)c1cc([nH]n1)Cl PI-39269 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.35 OC(=O)c1cc(no1)Br PI-39414 [1,0,0,0,0,0|2,1,0]=4 50 B9R1.35 OC(=O)c1ncc(s1)Br PI-39239 [1,0,0,0,0,0|1,1,0]=3 51 B11R1.79 Brc1cc(sc1Cl)S(=O)(=O)Cl PI-14394 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.79 C1=C(SC(=C1Cl)Cl)S(=O)(=O)Cl PI-15242 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.79 C1=C(SC(=C1Cl)Cl)S(=O)(=O)N PI-29401 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.226 O=C(C1=CC(Br)=C(Br)N1)OC PI-41786 [0,1,0,0,0,0|2,1,0]=4 55 B11R1.672 C1(=C(SC(=C1Cl)Cl)C(=O)Cl)Cl PI-29387 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.672 C1(=C(SC(=C1Cl)Cl)C(=O)O)Cl PI-29409 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.672 OC(=O)c1nn(C)c(C)c1Br PI-21399 [0,1,0,0,0,0|3,0,0]=4 58 B9R0.42 COC(=O)CC(=C)C(=O)O PI-47078 [0,0,1,0,0,0|3,0,0]=4 59 B11R1.21 B(C1=CC(=C(C=C1)C)Cl)(O)O PI-25257 [0,0,0,0,0,1|2,0,1]=4 60 B11R1.21 B(C1=CC(=C(C=C1)Cl)C)(O)O PI-20170 [0,0,0,0,0,1|2,0,1]=4 61 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [0,0,0,0,0,1|2,0,0]=3 62 B11R1.21 C1=C(C(=O)NC=C1C(=O)O)Cl PI-16724 [0,0,0,0,0,1|2,0,0]=3 63 B11R1.21 C1=C(C=NC(=C1Br)F)C(=O)O PI-36514 [0,0,0,0,0,1|2,1,0]=4 64 B11R1.21 C1=C(C=NC(=C1Cl)Cl)C(=O)O PI-16262 [0,0,0,0,0,1|2,0,0]=3 65 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F PI-34234 [0,0,0,0,0,1|3,0,0]=4 67 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)Cl PI-24201 [0,0,0,0,0,1|3,0,0]=4 69 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [0,0,0,0,0,1|2,1,0]=4 70 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [0,0,0,0,0,1|2,0,0]=3 71 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [0,0,0,0,0,1|2,0,0]=3 72 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [0,0,0,0,0,1|2,0,0]=3 73 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [0,0,0,0,0,1|2,1,0]=4 74 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [0,0,0,0,0,1|2,1,0]=4 75 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [0,0,0,0,0,1|2,1,0]=4 76 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [0,0,0,0,0,1|2,1,0]=4 77 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [0,0,0,0,0,1|2,1,0]=4 78 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [0,0,0,0,0,1|2,1,0]=4 79 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [0,0,0,0,0,1|3,0,0]=4 80 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [0,0,0,0,0,1|3,0,0]=4 81 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [0,0,0,0,0,1|3,0,0]=4 82 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [0,0,0,0,0,1|2,0,0]=3 83 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [0,0,0,0,0,1|3,0,0]=4 84 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [0,0,0,0,0,1|3,0,0]=4 85 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [0,0,0,0,0,1|3,0,0]=4 86 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [0,0,0,0,0,1|2,1,0]=4 87 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [0,0,0,0,0,1|3,0,0]=4 88 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [0,0,0,0,0,1|3,0,0]=4 89 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F PI-23749 [0,0,0,0,0,1|2,1,0]=4 90 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [0,0,0,0,0,1|3,0,0]=4 91 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F PI-23731 [0,0,0,0,0,1|2,1,0]=4 92 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N PI-30259 [0,0,0,0,0,1|3,0,0]=4 93 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [0,0,0,0,0,1|2,0,0]=3 94 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [0,0,0,0,0,1|1,1,0]=3 95 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [0,0,0,0,0,1|1,1,0]=3 96 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [0,0,0,0,0,1|2,0,0]=3 97 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-34331 [0,0,0,0,0,1|2,0,1]=4 98 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [0,0,0,0,0,1|2,1,0]=4 99 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F PI-23750 [0,0,0,0,0,1|2,1,0]=4 100 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)Br PI-30206 [0,0,0,0,0,1|2,1,0]=4 101 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N PI-35808 [0,0,0,0,0,1|3,0,0]=4 102 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [0,0,0,0,0,1|1,1,0]=3 103 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [0,0,0,0,0,1|1,0,0]=2 104 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [0,0,0,0,0,1|1,1,0]=3 105 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [0,0,0,0,0,1|2,0,0]=3 106 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [0,0,0,0,0,1|2,1,0]=4 107 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O PI-11485 [0,0,0,0,0,1|3,0,0]=4 108 B11R1.21 ClC(=O)c1ccc(C)c(Br)c1 PI-22136 [0,0,0,0,0,1|2,1,0]=4 109 B11R1.21 O=C(N)C1=CC=C(F)C(C)=C1 PI-23732 [0,0,0,0,0,1|2,1,0]=4 110 B11R1.21 O=C(N)C1=CC=C(F)C(Cl)=C1 PI-20058 [0,0,0,0,0,1|3,0,0]=4 111 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [0,0,0,0,0,1|2,1,0]=4 112 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [0,0,0,0,0,1|1,0,0]=2 113 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [0,0,0,0,0,1|2,0,0]=3 114 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [0,0,0,0,0,1|2,0,0]=3 115 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [0,0,0,0,0,1|3,0,0]=4 116 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [0,0,0,0,0,1|3,0,0]=4 117 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [0,0,0,0,0,1|1,1,0]=3 118 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [0,0,0,0,0,1|2,0,0]=3 119 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [0,0,0,0,0,1|2,1,0]=4 120 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [0,0,0,0,0,1|2,1,0]=4 121 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [0,0,0,0,0,1|2,1,0]=4 122 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [0,0,0,0,0,1|2,0,0]=3 123 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [0,0,0,0,0,1|3,0,0]=4 124 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [0,0,0,0,0,1|2,0,0]=3 125 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [0,0,0,0,0,1|3,0,0]=4 126 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [0,0,0,0,0,1|1,1,0]=3 127 B11R1.21 OC(=O)c1cnc(c(c1)Br)Cl PI-34711 [0,0,0,0,0,1|2,0,0]=3 128 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [0,0,0,0,0,1|2,1,0]=4 129 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [0,0,0,0,0,1|2,1,0]=4 130 B11R1.21 [O-][N+](=O)c1ccc(Cl)c(C)c1 PI-32802 [0,0,0,0,0,1|2,0,1]=4 131 B11R1.21 [O-][N+](=O)c1cnc(Cl)c(C)c1 PI-16722 [0,0,0,0,0,1|2,0,1]=4 132 B11R1.74 C1=C(C=C(C=C1Br)I)C(=O)O PI-21371 [0,0,0,0,0,1|2,1,0]=4 133 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)Cl PI-11893 [0,0,0,0,0,1|3,0,0]=4 134 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)N PI-21002 [0,0,0,0,0,1|3,0,0]=4 135 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)O PI-11891 [0,0,0,0,0,1|2,0,0]=3 136 B11R1.74 C1=C(C=C(C=C1F)Br)C(=O)O PI-16064 [0,0,0,0,0,1|2,1,0]=4 137 B11R1.74 C1=C(C=C(C=C1N)N)C(=O)O PI-33050 [0,0,0,0,0,1|3,0,0]=4 138 B11R1.74 C1=C(C=C(C=C1O)Br)C(=O)O PI-47172 [0,0,0,0,0,1|2,1,0]=4 139 B11R1.74 C1=C(C=C(C=C1O)Cl)C(=O)O PI-47171 [0,0,0,0,0,1|2,0,0]=3 140 B11R1.74 C1=C(C=C(N=C1C(=O)O)Cl)Cl PI-50621 [0,0,0,0,0,1|2,0,0]=3 141 B11R1.74 C1=C(C=C(NC1=O)O)C(=O)O PI-41126 [0,0,0,0,0,1|3,0,0]=4 142 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl PI-29140 [0,0,0,0,0,1|3,0,0]=4 143 B11R1.74 CC1=CC(=CC(=C1)Cl)[N+](=O)[O-] PI-34391 [0,0,0,0,0,1|2,0,1]=4 144 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)Cl PI-20177 [0,0,0,0,0,1|2,0,0]=3 145 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)O PI-49440 [0,0,0,0,0,1|1,0,0]=2 146 B11R1.74 Cc1cc(C)cc(c1)C(=O)C PI-30691 [0,0,0,0,0,1|3,0,0]=4 147 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,0,0,0,0,1|2,0,0]=3 148 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,0,0,0,0,1|1,1,0]=3 149 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,0,0,0,0,1|2,0,0]=3 150 B11R1.74 Clc1cc(Br)cc(c1)C(=O)O PI-35805 [0,0,0,0,0,1|2,0,0]=3 151 B11R1.74 Fc1cc(F)cc(c1)C(=O)O PI-10428 [0,0,0,0,0,1|2,1,0]=4 152 B11R1.74 Ic1cc(I)cc(c1)C(=O)O PI-36327 [0,0,0,0,0,1|2,1,0]=4 153 B11R1.74 OC(=O)c1cc(Br)cc(c1)Br PI-20961 [0,0,0,0,0,1|2,1,0]=4 154 B11R1.74 OC(=O)c1cc(Cl)nc(c1)Cl PI-16190 [0,0,0,0,0,1|2,0,0]=3 155 B11R1.74 Oc1cc(O)cc(c1)C(=O)O PI-33401 [0,0,0,0,0,1|3,0,0]=4 156 B8R0.23 CC(=O)NC(=C)C(=O)O PI-26724 [1,0,1,0,0,0|2,0,0]=4 157 B8R1.1 Brc1cc(oc1)C=O PI-21495 [2,0,0,0,0,0|1,1,0]=4 158 B8R1.1 Brc1cc(sc1)C=O PI-16278 [2,0,0,0,0,0|1,0,0]=3 159 B8R1.1 Brc1ccc(C=O)o1 PI-31098 [2,0,0,0,0,0|0,2,0]=4 160 B8R1.1 Brc1ccc(C=O)s1 PI-35909 [2,0,0,0,0,0|0,1,0]=3 161 B8R1.1 Brc1cnc(s1)C=O PI-39227 [2,0,0,0,0,0|1,1,0]=4 162 B8R1.1 Brc1ncc(s1)C=O PI-25590 [2,0,0,0,0,0|1,1,0]=4 163 B8R1.1 C1=C(OC(=C1)I)C=O PI-31133 [2,0,0,0,0,0|0,2,0]=4 164 B8R1.1 C1=C(SC(=C1)Br)CO PI-45451 [2,0,0,0,0,0|0,1,1]=4 165 B8R1.1 C1=C(SC(=C1)Cl)C=O PI-30886 [2,0,0,0,0,0|0,0,0]=2 166 B8R1.1 C1=C(SC(=C1)Cl)CCl PI-27377 [2,0,0,0,0,0|1,0,1]=4 167 B8R1.1 C1=C(SC(=C1)Cl)CO PI-45044 [2,0,0,0,0,0|0,0,1]=3 168 B8R1.1 C1=C(SC(=N1)N)C=O PI-14095 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.1 CC1=CC=C(O1)C=O PI-44598 [2,0,0,0,0,0|1,1,0]=4 170 B8R1.1 CC1=CSC(=C1)C=O PI-29744 [2,0,0,0,0,0|0,0,0]=2 171 B8R1.1 Cc1ccc(C=O)s1 PI-10821 [2,0,0,0,0,0|1,0,0]=3 172 B8R1.1 Cn1cc(nc1)C=O PI-39321 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.1 O=CC1=CN=C(C)S1 PI-39711 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.1 O=CC1=CN=C(Cl)S1 PI-41521 [2,0,0,0,0,0|1,0,0]=3 175 B8R1.1 OCC1=CN=C(Cl)S1 PI-46742 [2,0,0,0,0,0|1,0,1]=4 176 B8R1.18 CC1=C(SC(=C1)Cl)Cl PI-14314 [2,0,0,0,0,0|1,0,0]=3 177 B8R1.18 CC1=CC(=C(S1)C)C PI-29262 [2,0,0,0,0,0|1,0,1]=4 178 B8R1.7 C1=C(NC=N1)C(=O)O PI-31349 [2,0,0,0,0,0|2,0,0]=4 179 B8R1.7 C1=C(SC=N1)C(=O)O PI-25160 [2,0,0,0,0,0|1,0,0]=3 180 B8R1.7 C1=CN=C(N1)C(=O)O PI-40003 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [2,0,0,0,0,0|2,0,0]=4 183 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [2,0,0,0,0,0|1,1,0]=4 184 B8R1.7 C1=COC=C1C(=O)O PI-16502 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.7 C1=CON=C1C(=O)O PI-48871 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [2,0,0,0,0,0|1,0,0]=3 188 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [2,0,0,0,0,0|0,0,1]=3 189 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] PI-10995 [2,0,0,0,0,0|1,0,1]=4 190 B8R1.7 C1=CSC(=N1)C(C)=O PI-11117 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.7 CC(C1=CC=CS1)O PI-12508 [2,0,0,0,0,0|1,0,1]=4 193 B8R1.7 C[C@@H](O)c1cccs1 PI-12507 [2,0,0,0,0,0|1,0,1]=4 194 B8R1.7 NC(=S)c1cccs1 PI-39110 [2,0,0,0,0,0|1,1,0]=4 195 B8R1.7 OB(c1cccs1)O PI-16529 [2,0,0,0,0,0|1,0,1]=4 196 B8R1.7 OC(=O)c1cc[nH]n1 PI-34779 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [2,0,0,0,0,0|1,0,0]=3 198 B8R1.7 OC(=O)c1cccs1 PI-38239 [2,0,0,0,0,0|0,0,0]=2 199 B8R1.7 OC(=O)c1ccno1 PI-29335 [2,0,0,0,0,0|1,1,0]=4 200 B8R1.7 OC(=O)c1cocn1 PI-43182 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.7 OC(=O)c1cscc1 PI-10764 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.7 OC(=O)c1cscn1 PI-28011 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.7 OC(=O)n1scc[nH]1 PI-29827 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.14 C1=C(C(OC)=O)N=C(S1)Cl PI-41958 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.14 C1=C(SC(=C1)Br)C(=O)CBr PI-20587 [1,1,0,0,0,0|1,1,0]=4 206 B10R1.14 C1=C(SC(=C1)Br)C(=O)NN PI-22618 [1,1,0,0,0,0|1,1,0]=4 207 B10R1.14 C1=C(SC(=C1)Cl)C(=O)NN PI-29504 [1,1,0,0,0,0|1,0,0]=3 208 B10R1.14 CC1=CC=C(O1)C(=O)OC PI-19366 [1,1,0,0,0,0|1,1,0]=4 209 B10R1.14 COC(=O)C1=CC=C(O1)Br PI-30379 [1,1,0,0,0,0|0,2,0]=4 210 B10R1.14 COC(=O)C1=CC=C(S1)Cl PI-45460 [1,1,0,0,0,0|0,0,0]=2 211 B10R1.14 COC(=O)C1=CN=C(S1)Br PI-25654 [1,1,0,0,0,0|1,1,0]=4 212 B10R1.14 COC(=O)c1cc(c[nH]1)Br PI-33152 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.14 COC(=O)c1cc(cs1)Br PI-39011 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.14 COC(=O)c1cc(cs1)N PI-35482 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.14 COC(=O)c1ccc([nH]1)C PI-39271 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.14 COC(=O)c1cnc(s1)N PI-25778 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.14 COC(=O)c1scc(C)c1 PI-24693 [1,1,0,0,0,0|0,0,0]=2 218 B10R1.14 ClCC(=O)c1ccc(Br)s1 PI-22620 [1,1,0,0,0,0|1,1,0]=4 219 B10R1.14 Clc1ccc(s1)C(=O)CBr PI-20667 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.31 C1=C(SC(=C1)C(=O)O)C=O PI-29607 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.31 CC(=O)C1=CC=C(S1)C#N PI-26965 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.31 CCC1=NC=C(S1)C(=O)O PI-36607 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [1,1,0,0,0,0|1,0,0]=3 224 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.31 N#Cc1c[nH]c(c1)C(=O)O PI-36278 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.31 O=Cc1ccc([nH]1)C(=O)O PI-36297 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.31 O=Cc1ccc(o1)C(=O)O PI-17709 [1,1,0,0,0,0|1,1,0]=4 228 B10R1.31 OCc1ccc(o1)C(=O)O PI-19793 [1,1,0,0,0,0|1,1,0]=4 229 B10R1.55 C1=C(SC(=C1)Cl)S(=O)(=O)Cl PI-20246 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.55 C1=C(SC(=C1)Cl)S(=O)(=O)N PI-26717 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O PI-49746 [1,1,0,0,0,0|0,2,0]=4 232 B10R1.59 CC1=C(SC(=N1)C)C(=O)O PI-21993 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PI-29708 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.59 CC1=NN(C(=C1)C(=O)O)C PI-21984 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.59 Cc1sc(c(c1)C(=O)O)C PI-29415 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.59 Clc1sc(c(c1)C(=O)O)Cl PI-18502 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.59 O=C(C1=C(Cl)SC(Cl)=N1)O PI-46772 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.194 ClC(=O)c1scc(Br)c1C PI-22180 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [1,1,0,0,0,0|1,0,0]=3 241 B10R1.194 OC(=O)c1snc(c1Cl)Cl PI-34849 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl PI-30545 [0,1,0,0,0,1|2,0,0]=4 243 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)O PI-27034 [0,1,0,0,0,1|2,0,0]=4 244 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br PI-30998 [0,1,0,0,0,1|1,1,0]=4 245 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F PI-13362 [0,1,0,0,0,1|1,1,0]=4 246 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N PI-30426 [0,1,0,0,0,1|2,0,0]=4 247 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O PI-10869 [0,1,0,0,0,1|2,0,0]=4 248 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)F PI-50022 [0,1,0,0,0,1|1,1,0]=4 249 B12R1.48 COc1ccc(cc1Cl)C(=O)O PI-30550 [0,1,0,0,0,1|1,0,0]=3 250 B12R1.48 COc1ccc(nc1Br)C(=O)O PI-38347 [0,1,0,0,0,1|1,1,0]=4 251 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C#C PI-44792 [0,1,0,0,0,1|2,0,0]=4 252 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C=O PI-43250 [0,1,0,0,0,1|2,0,0]=4 253 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F PI-34251 [0,1,0,0,0,1|1,1,0]=4 254 B12R1.56 COc1cc(ccc1Br)C(=O)O PI-35857 [0,1,0,0,0,1|1,1,0]=4 255 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [0,1,0,0,0,1|1,0,0]=3 256 B12R1.56 COc1cc(ccc1N)C(=O)O PI-30375 [0,1,0,0,0,1|2,0,0]=4 257 B12R1.56 COc1cc(ccc1O)C(=O)O PI-31895 [0,1,0,0,0,1|2,0,0]=4 258 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 PI-10102 [0,1,0,0,0,1|2,0,0]=4 259 B12R1.232 C1=C(C(=CC(=C1Br)Cl)N)C(=O)O PI-45739 [0,1,0,0,0,1|2,0,0]=4 260 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O PI-39988 [0,1,0,0,0,1|2,0,0]=4 261 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O PI-16073 [0,1,0,0,0,1|2,0,0]=4 262 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O PI-16075 [0,1,0,0,0,1|2,0,0]=4 263 B12R1.232 C1=C(C(=NC(=C1Cl)Cl)Cl)C(=O)O PI-48976 [0,1,0,0,0,1|2,0,0]=4 264 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C PI-27676 [0,1,0,0,0,1|2,0,0]=4 265 B12R1.232 CC1=CC(=C(C=C1Cl)C(=O)C)O PI-30428 [0,1,0,0,0,1|2,0,0]=4 266 B12R1.232 CC1=CC(=C(C=C1F)F)C(=O)O PI-34480 [0,1,0,0,0,1|1,1,0]=4 267 B12R1.232 Fc1cc(C(=O)O)c(F)cc1C PI-34461 [0,1,0,0,0,1|1,1,0]=4 268 B12R1.232 O=C(O)C1=CC(C)=C(C)C=C1N PI-40810 [0,1,0,0,0,1|2,0,0]=4 269 B12R1.232 O=C(O)C1=CC(N)=C(C)C=C1C PI-36846 [0,1,0,0,0,1|2,0,0]=4 270 B12R1.232 OC(=O)c1cc(Cl)c(F)cc1F PI-10197 [0,1,0,0,0,1|2,0,0]=4 271 B12R1.232 OC(=O)c1cc(F)c(Cl)nc1Cl PI-16613 [0,1,0,0,0,1|2,0,0]=4 272 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Br PI-30048 [0,1,0,0,0,1|1,1,0]=4 273 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)C PI-30556 [0,1,0,0,0,1|2,0,0]=4 274 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Cl PI-32079 [0,1,0,0,0,1|1,0,0]=3 275 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44887 [0,1,0,0,0,1|1,1,0]=4 276 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44912 [0,1,0,0,0,1|1,1,0]=4 277 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)N PI-28231 [0,1,0,0,0,1|2,0,0]=4 278 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)Br PI-22130 [0,1,0,0,0,1|1,1,0]=4 279 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)N PI-20693 [0,1,0,0,0,1|2,0,0]=4 280 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Cl PI-18437 [0,1,0,0,0,1|2,0,0]=4 281 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)Br PI-34712 [0,1,0,0,0,1|2,0,0]=4 282 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)O PI-48213 [0,1,0,0,0,1|2,0,0]=4 283 B12R1.367 COC(=O)c1ccc(O)c(C)c1 PI-36002 [0,1,0,0,0,1|2,0,0]=4 284 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O PI-30567 [0,1,0,0,0,1|2,0,0]=4 285 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl PI-18531 [0,1,0,0,0,1|2,0,0]=4 286 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)Cl)F PI-20034 [0,1,0,0,0,1|2,0,0]=4 287 B12R1.893 O=C(O)C1=CC=C(C)C(F)=C1F PI-37178 [0,1,0,0,0,1|1,1,0]=4 288 B12R1.893 OC(=O)c1ccc(c(c1F)C)F PI-34460 [0,1,0,0,0,1|1,1,0]=4 289 B12R1.893 OC(=O)c1ccc(c(c1N)C)C PI-32620 [0,1,0,0,0,1|2,0,0]=4 290 B12R1.893 OC(=O)c1ccc(c(c1N)I)C PI-34646 [0,1,0,0,0,1|1,1,0]=4 291 B12R1.1005 C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O PI-10216 [0,1,0,0,0,1|2,0,0]=4 292 B12R1.1005 CC1=C(C=C(C=C1Br)C(=O)O)Br PI-20976 [0,1,0,0,0,1|1,1,0]=4 293 B12R1.1005 CC1=C(C=C(C=C1O)C(=O)O)O PI-10217 [0,1,0,0,0,1|2,0,0]=4 294 B12R1.1005 OC(=O)c1cc(C)c(c(c1)C)O PI-27630 [0,1,0,0,0,1|2,0,0]=4 295 B12R1.1005 OC(=O)c1cc(Cl)c(c(c1)Cl)Cl PI-35507 [0,1,0,0,0,1|2,0,0]=4 296 B12R1.1005 OC(=O)c1cc(Cl)c(c(c1)Cl)N PI-11020 [0,1,0,0,0,1|2,0,0]=4 297 B12R1.11 COC1=NC(=CC(=C1)C(=O)Cl)Cl PI-20146 [0,1,0,0,0,1|2,0,0]=4 298 B12R1.11 COC1=NC(=CC(=C1)C(=O)O)Cl PI-26177 [0,1,0,0,0,1|1,0,0]=3 299 B12R1.11 COc1cc(C)cc(c1)C(=O)O PI-36103 [0,1,0,0,0,1|2,0,0]=4 300 B12R1.358 CC1=NC(=CC(=C1)C(=O)OC)Cl PI-43952 [0,1,0,0,0,1|1,0,0]=3 301 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl PI-50527 [0,1,0,0,0,1|2,0,0]=4 302 B12R1.358 COC(=O)C1=NC(=CC(=C1)Cl)Cl PI-50679 [0,1,0,0,0,1|2,0,0]=4 303 B12R1.358 COC(=O)c1cc(Cl)nc(Cl)n1 PI-36384 [0,1,0,0,0,1|2,0,0]=4 304 B12R1.358 COC(=O)c1cc(Cl)nc(c1)Cl PI-39320 [0,1,0,0,0,1|2,0,0]=4 305 B12R1.358 O=C(OC)C1=CC(C)=CC(N)=C1 PI-39679 [0,1,0,0,0,1|2,0,0]=4 306 B12R1.511 C1=C(C=C(C(=C1C(=O)O)Cl)Cl)Cl PI-27648 [0,1,0,0,0,1|2,0,0]=4 307 B12R1.511 C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl PI-24093 [0,1,0,0,0,1|2,0,0]=4 308 B12R1.511 CC1=CC(=C(C(=C1)Br)N)C(=O)O PI-30110 [0,1,0,0,0,1|1,1,0]=4 309 B12R1.511 CC1=CC(=C(C(=C1)F)F)C(=O)O PI-34479 [0,1,0,0,0,1|1,1,0]=4 310 B12R1.511 CC1=CC(=CC(=C1F)C(=O)O)F PI-34481 [0,1,0,0,0,1|1,1,0]=4 311 B12R1.511 CC1=CC(=CC(=C1N)C(=O)O)Br PI-35864 [0,1,0,0,0,1|1,1,0]=4 312 B12R1.511 CC1=CC(=CC(=C1N)C(=O)O)Cl PI-10075 [0,1,0,0,0,1|1,0,0]=3 313 B12R1.511 CC1=CC(=CC(=C1O)C(=O)O)Br PI-14455 [0,1,0,0,0,1|1,1,0]=4 314 B12R1.511 Cc1cc(C)c(N)c(c1)C(=O)O PI-10077 [0,1,0,0,0,1|2,0,0]=4 315 B12R1.511 Clc1cc(Cl)c(c(c1)C(=O)O)N PI-10925 [0,1,0,0,0,1|2,0,0]=4 316 B12R1.63 COC(=O)C1=CC(=C(S1)C#N)N PI-45438 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.314 CCOC(=O)C1=CC(=C(O1)C)C PI-17533 [0,2,0,0,0,0|1,1,0]=4 318 B12R1.362 COC(=O)C1=C(C(=C(S1)Br)Br)O PI-26990 [0,2,0,0,0,0|1,1,0]=4 319 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [0,0,1,1,0,0|1,0,1]=4 320 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [0,0,1,1,0,0|2,0,0]=4 321 B10R1.113 C1=CN=C(N=C1C(=O)O)Cl PI-41170 [0,0,1,1,0,0|2,0,0]=4 322 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [0,0,1,1,0,0|1,0,1]=4 323 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [0,0,1,1,0,0|2,0,0]=4 324 B10R1.118 CC1=CC(=C(C=C1Cl)C)S PI-17574 [0,0,1,1,0,0|2,0,0]=4 325 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O PI-40929 [0,0,0,1,0,1|2,0,0]=4 326 B12R2.252 OC(=O)c1sc2c(c1)scc2 PI-24150 [0,1,0,1,0,0|1,0,1]=4 327 B10R1.8 C1=C(C=C(C=C1Cl)Cl)C=O PI-11890 [1,0,0,0,0,1|2,0,0]=4 328 B10R1.8 C1=C(C=C(C=C1F)Cl)C=O PI-27970 [1,0,0,0,0,1|2,0,0]=4 329 B10R1.8 O=Cc1cc(C)cc(F)c1 PI-28945 [1,0,0,0,0,1|1,1,0]=4 330 B10R1.8 O=Cc1cc(C)cc(c1)C PI-27730 [1,0,0,0,0,1|2,0,0]=4 331 B10R1.8 O=Cc1cc(Cl)cc(Br)c1 PI-26240 [1,0,0,0,0,1|2,0,0]=4 332 B10R1.8 O=Cc1cc(Cl)nc(c1)Cl PI-38198 [1,0,0,0,0,1|2,0,0]=4 333 B10R1.54 CC(=O)NC1=NC=C(S1)Cl PI-26276 [1,0,0,0,0,1|2,0,0]=4 334 B10R1.54 CC(=O)Nc1scc(C)n1 PI-17263 [1,0,0,0,0,1|2,0,0]=4 335 B10R1.54 CC1=CSC(=C1)CC(=O)C PI-48378 [1,0,0,0,0,1|1,0,0]=3 336 B12R1.19 C1=C(C=C(C(=C1)F)Cl)CC(=O)O PI-28777 [0,0,0,0,0,2|2,0,0]=4 337 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl PI-12710 [0,0,0,0,0,2|2,0,0]=4 338 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)O PI-30493 [0,0,0,0,0,2|2,0,0]=4 339 B12R1.19 OC(=O)Cc1ccc(c(c1)F)C PI-23761 [0,0,0,0,0,2|1,1,0]=4 340 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C PI-30607 [0,0,0,0,0,2|2,0,0]=4 341 B12R1.101 OC(=O)Cc1cc(Cl)cc(c1)Cl PI-35232 [0,0,0,0,0,2|2,0,0]=4 342 B12R1.110 CC1=C(OC(=C1)C=CC(=O)O)C PI-17380 [0,0,0,0,0,2|1,1,0]=4