0 B11R1.166 B(C1=C(C=C(C=C1)C)C)(O)O PI-25669 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.166 B(C1=C(C=C(C=C1)C)Cl)(O)O PI-19135 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.166 B(C1=C(C=C(C=C1)Cl)C)(O)O PI-19305 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.166 B(C1=C(C=C(C=C1)F)C)(O)O PI-23765 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.166 Brc1ccc([N+](=O)[O-])c(F)c1 PI-10417 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.166 Brc1ccc(c(c1)N)[N+](=O)[O-] PI-39432 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)N PI-30371 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)Cl PI-11845 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)N PI-35500 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.166 C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] PI-11297 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.166 C1=CC(=C(C=C1Cl)O)[N+](=O)[O-] PI-37794 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl PI-20069 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)N PI-20057 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl PI-14894 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N PI-31316 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] PI-16979 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.166 C1=CC(=C(C=C1N)Cl)[N+](=O)[O-] PI-26933 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.166 C1=CC(=C(C=C1O)Cl)[N+](=O)[O-] PI-35943 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.166 CC(=O)C1=C(C)N=C(C)C=N1 PI-11037 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,0,0,0,0,0|2,0,0]=2 35 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [0,0,0,0,0,0|2,0,0]=2 37 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,0,0,0,0,0|2,0,0]=2 42 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,0,0,0,0,0|2,0,0]=2 43 B11R1.166 CC(=O)C1=CNC(=O)NC1=O PI-12020 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,0,0,0,0,0|2,0,0]=2 45 B11R1.166 CC(N)C1=CC=C(Cl)C=C1Cl PI-41295 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)Cl PI-39384 [0,0,0,0,0,0|2,0,0]=2 47 B11R1.166 CC1=C(C=CC(=C1)Cl)[N+](=O)[O-] PI-26718 [0,0,0,0,0,0|3,0,0]=3 48 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,0,0,0,0,0|2,0,0]=2 49 B11R1.166 CC1=C(C=CC(=C1)N)[N+](=O)[O-] PI-26795 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,0,0,0,0,0|1,0,0]=1 51 B11R1.166 CC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-12007 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.166 CC1=C(C=CC(=N1)Cl)[N+](=O)[O-] PI-16723 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.166 CC1=C(C=CC(=N1)F)[N+](=O)[O-] PI-34429 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.166 CC1=C(C=CC(=N1)N)[N+](=O)[O-] PI-16707 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.166 CC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-] PI-13322 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,0,0,0,0,0|0,0,0]=0 57 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,0,0,0,0,0|2,0,0]=2 58 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,0,0,0,0,0|1,0,0]=1 59 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,0,0,0,0,0|2,0,0]=2 60 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Cl PI-16550 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F PI-10269 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])I PI-19675 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N PI-26762 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])O PI-28770 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.166 CC1=CC(=NC=C1[N+](=O)[O-])Cl PI-10387 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.166 CC1=CC(=NC=C1[N+](=O)[O-])F PI-16767 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.166 CC1=CC(=NC=C1[N+](=O)[O-])N PI-16706 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 PI-44124 [0,0,0,0,0,0|2,0,2]=4 70 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O PI-13132 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.166 CC1=CC(=O)NC=C1[N+](=O)[O-] PI-16709 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O PI-18513 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.166 CC1=CC=C(C(=O)N1)[N+](=O)[O-] PI-16708 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.166 CC1=NC(=C(C=C1)[N+](=O)[O-])Br PI-10392 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.166 CC1=NC(=C(C=C1)[N+](=O)[O-])Cl PI-34455 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.166 CC1=NC(=C(C=C1)[N+](=O)[O-])N PI-16705 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.166 CC1=NC(=NC=C1C(=O)C)N PI-14033 [0,0,0,0,0,0|3,0,0]=3 78 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 PI-16720 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,0,0,0,0,0|2,0,0]=2 80 B11R1.166 Cc1ccc(c(c1)F)B(O)O PI-25239 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [0,0,0,0,0,0|2,0,0]=2 82 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,0,0,0,0,0|2,0,0]=2 83 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,0,0,0,0,0|1,0,0]=1 84 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)Cl PI-31177 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.166 Clc1ccc(C(=S)N)c(Cl)c1 PI-30416 [0,0,0,0,0,0|3,1,0]=4 88 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.166 Clc1ccc(c(c1)F)[N+](=O)[O-] PI-28769 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.166 Fc1ccc([N+](=O)[O-])c(Br)c1 PI-34343 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.166 Fc1ccc(c(c1)C)[N+](=O)[O-] PI-16978 [0,0,0,0,0,0|3,0,0]=3 96 B11R1.166 Fc1ccc(c(c1)Cl)[N+](=O)[O-] PI-10433 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.166 Fc1ccc(c(c1)F)[N+](=O)[O-] PI-15216 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.166 Fc1cnc(c(c1)F)C(=O)O PI-38255 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,0,0,0,0,0|3,0,0]=3 100 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,0,0,0,0,0|2,0,0]=2 101 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,0,0,0,0,0|2,0,0]=2 102 B11R1.166 Nc1ccc(c(c1)F)[N+](=O)[O-] PI-29376 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.166 Nc1ccc(c(c1)N)[N+](=O)[O-] PI-11302 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [0,0,0,0,0,0|2,0,0]=2 105 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.166 OC(=O)c1cnc(cc1Cl)Cl PI-38189 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [0,0,0,0,0,0|3,0,1]=4 108 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,0,0,0,0,0|2,0,0]=2 109 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.166 Oc1ccc(c(c1)C)B(O)O PI-19648 [0,0,0,0,0,0|3,0,1]=4 111 B11R1.166 Oc1ccc(c(c1)F)[N+](=O)[O-] PI-16955 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.166 Oc1ccc(c(c1)O)C(=O)N PI-10047 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.166 [O-][N+](=O)c1ccc(nc1C)Br PI-39053 [0,0,0,0,0,0|4,0,0]=4 114 B11R1.166 [O-][N+](=O)c1ccc(nc1C)O PI-39015 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.166 [O-][N+](=O)c1ccc(nc1F)C PI-16768 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.166 [O-][N+](=O)c1cnc(cc1C)Br PI-10391 [0,0,0,0,0,0|4,0,0]=4 117 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [1,0,0,0,0,0|2,0,0]=3 118 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [1,0,0,0,0,0|2,0,0]=3 128 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,0,0,0,0,0|2,0,0]=3 129 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,0,0,0,0,0|2,0,0]=3 130 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [1,0,0,0,0,0|2,0,0]=3 132 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [1,0,0,0,0,0|2,0,0]=3 133 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [1,0,0,0,0,0|2,1,0]=4 134 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,0,0,0,0,0|2,0,0]=3 135 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [1,0,0,0,0,0|3,0,0]=4 136 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [1,0,0,0,0,0|3,0,0]=4 137 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [1,0,0,0,0,0|3,0,0]=4 138 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [1,0,0,0,0,0|3,0,0]=4 139 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [1,0,0,0,0,0|3,0,0]=4 140 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [1,0,0,0,0,0|3,0,0]=4 141 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [1,0,0,0,0,0|3,0,0]=4 142 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [1,0,0,0,0,0|3,0,0]=4 143 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [1,0,0,0,0,0|3,0,0]=4 144 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,0,0,0,0,0|1,0,0]=2 147 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,0,0,0,0,0|1,0,0]=2 148 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [1,0,0,0,0,0|2,0,0]=3 149 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [1,0,0,0,0,0|2,0,0]=3 150 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,0,0,0,0,0|1,0,0]=2 151 B10R1.13 CC(C)C1=CC=C(C=C1)Br PI-32313 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.13 CC(C)C1=CC=C(C=C1)N PI-50230 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.13 CC(C)C1=CC=C(C=C1)S PI-21362 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.13 CC(C1=CC=C(C=C1)Br)O PI-32579 [1,0,0,0,0,0|1,0,2]=4 156 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,0,0,0,0,0|2,0,1]=4 157 B10R1.13 CC(C1=CC=C(C=C1)N)O PI-11962 [1,0,0,0,0,0|1,0,2]=4 158 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,0,0,0,0,0|1,0,0]=2 159 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,0,0,0,0,0|1,0,2]=4 160 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,0,0,0,0,0|0,0,0]=1 162 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,0,0,0,0,0|1,0,0]=2 163 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,0,0,0,0,0|1,1,0]=3 164 B10R1.13 CC1=CC=C(C=C1)C(C)O PI-32578 [1,0,0,0,0,0|0,0,2]=3 165 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O PI-49806 [1,0,0,0,0,0|0,0,2]=3 166 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O PI-49807 [1,0,0,0,0,0|0,0,2]=3 167 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,0,0,0,0,0|1,0,0]=2 168 B10R1.13 CC1=NC=C(C=C1)[N+](=O)[O-] PI-24226 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.13 CN(C)C1=CC=C(C=C1)N PI-29738 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.13 CN(C)C1=CC=C(C=C1)S PI-23412 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.13 CN(c1ccc(cc1)Br)C PI-32601 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.13 C[C@@H](O)C1=CC=C(Br)C=C1 PI-37362 [1,0,0,0,0,0|1,0,2]=4 173 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,0,0,0,0,0|2,0,1]=4 174 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,0,0,0,0,0|1,0,2]=4 175 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,0,0,0,0,0|2,0,1]=4 176 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [1,0,0,0,0,0|1,0,2]=4 177 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,0,0,0,0,0|1,0,2]=4 178 B10R1.13 Cc1ccc(cc1)C(C)C PI-39397 [1,0,0,0,0,0|1,0,1]=3 179 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,0,0,0,0,0|2,0,0]=3 180 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.13 Cc1cnc(cn1)C(=O)O PI-16774 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.13 Cc1ncc(cn1)C(=O)O PI-36501 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [1,0,0,0,0,0|2,0,0]=3 184 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,0,0,0,0,0|1,0,0]=2 186 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,0,0,0,0,0|2,0,0]=3 188 B10R1.13 Fc1ccc(cc1)C(C)O PI-32580 [1,0,0,0,0,0|1,0,2]=4 189 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [1,0,0,0,0,0|2,1,0]=4 193 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,0,0,0,0,0|2,1,0]=4 194 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.13 Nc1ccc(cc1)N(C)C PI-29785 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.13 Nc1ccc(cc1)N(C)C PI-30690 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,0,0,0,0,0|2,0,0]=3 200 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,0,0,0,0,0|2,0,0]=3 202 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,0,0,0,0,0|2,0,0]=3 203 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.25 C1=CC(=C(C=C1Br)Cl)C=O PI-38898 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O PI-28681 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.25 C1=CC(=C(C=C1F)Br)C=O PI-10440 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O PI-28857 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.25 C1=CC(=C(C=C1F)N)C=O PI-44252 [1,0,0,0,0,0|2,0,0]=3 212 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.25 C1=CC(=C(C=C1I)Br)C=O PI-26357 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.25 C1=CC(=C(C=C1I)F)C=O PI-28942 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.25 C1=CC(=C(C=C1N)N)C=O PI-44093 [1,0,0,0,0,0|2,0,0]=3 216 B10R1.25 CC1=C(C=CC(=C1)Br)C#N PI-22131 [1,0,0,0,0,0|2,0,1]=4 217 B10R1.25 CC1=C(C=CC(=C1)Br)OC PI-21586 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.25 CC1=C(C=CC(=C1)Cl)NN PI-29295 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.25 CC1=C(C=CC(=C1)Cl)OC PI-19447 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.25 CC1=C(C=CC(=C1)F)C#N PI-10521 [1,0,0,0,0,0|2,0,1]=4 221 B10R1.25 CC1=C(C=CC(=C1)F)C=O PI-10459 [1,0,0,0,0,0|1,0,0]=2 222 B10R1.25 CC1=CC(=C(C=C1)C#N)C PI-23422 [1,0,0,0,0,0|1,0,1]=3 223 B10R1.25 CC1=CC(=C(C=C1)C#N)N PI-30405 [1,0,0,0,0,0|2,0,1]=4 224 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [1,0,0,0,0,0|1,0,0]=2 225 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [1,0,0,0,0,0|1,0,0]=2 226 B10R1.25 CC1=CC(=C(C=C1)CCl)C PI-23825 [1,0,0,0,0,0|1,0,1]=3 227 B10R1.25 CC1=CC(=C(C=C1)CO)N PI-26925 [1,0,0,0,0,0|1,0,2]=4 228 B10R1.25 CC1=CC(=C(C=C1)NN)C PI-29747 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.25 CC1=CC(=C(C=C1)NN)Cl PI-20171 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.25 CC1=CC(=C(C=C1)OC)Cl PI-19323 [1,0,0,0,0,0|2,0,0]=3 231 B10R1.25 CC1=CC(=C(C=C1)OC)F PI-23730 [1,0,0,0,0,0|2,0,0]=3 232 B10R1.25 CC1=CC(=C(C=C1)OC)I PI-19656 [1,0,0,0,0,0|2,0,0]=3 233 B10R1.25 CC1=CC(=C(C=C1)[N+]#[C-])Br PI-22160 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.25 CC1=CC(=CN=C1C=O)Br PI-41887 [1,0,0,0,0,0|2,0,0]=3 235 B10R1.25 CC1=CC(Br)=CN=C1OC PI-46636 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.25 CC1=CC(I)=CC=C1OC PI-19887 [1,0,0,0,0,0|2,0,0]=3 237 B10R1.25 CC1=CC=C(OC)C(Br)=C1 PI-16425 [1,0,0,0,0,0|2,0,0]=3 238 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.25 CCC1=C(N=C(C=C1)C)N PI-30602 [1,0,0,0,0,0|2,0,1]=4 240 B10R1.25 CNC1=CC=C(F)C=C1F PI-21200 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.25 COC1=C(C=C(C=C1)Cl)F PI-33133 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.25 COC1=C(C=C(C=C1)F)Cl PI-20055 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.25 COC1=C(C=C(C=C1)F)F PI-16982 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.25 COC1=C(C=C(C=C1)F)F PI-34388 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.25 COC1=C(C=C(C=C1)F)N PI-34515 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.25 COC1=C(C=C(C=C1)N)N PI-17225 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.25 COc1ccc(F)cc1S PI-23728 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.25 COc1ccc(S)cc1F PI-23727 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.25 COc1ccc(cc1Br)Cl PI-20603 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.25 COc1ccc(cc1Br)F PI-28540 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.25 COc1ccc(cc1Cl)N PI-38593 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.25 COc1ccc(cc1F)Br PI-16907 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.25 COc1ccc(cc1F)N PI-28446 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.25 COc1ccc(cc1F)O PI-34292 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.25 CSc1ccc(cc1C)O PI-18452 [1,0,0,0,0,0|2,0,0]=3 258 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [1,0,0,0,0,0|2,0,0]=3 259 B10R1.25 ClC1=NC(=CC=C1C=O)Cl PI-41418 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.25 FC1=C(C=O)C=CC(=C1)O PI-28419 [1,0,0,0,0,0|2,0,0]=3 261 B10R1.25 N#Cc1ccc(cc1F)C PI-28867 [1,0,0,0,0,0|2,0,1]=4 262 B10R1.25 NC1=C(C=O)C=CC(=C1)Br PI-41093 [1,0,0,0,0,0|2,0,0]=3 263 B10R1.25 NCc1ccc(cc1C)C PI-27988 [1,0,0,0,0,0|1,0,1]=3 264 B10R1.25 O=CC1=CC=C(F)C=C1F PI-16892 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.25 O=Cc1ccc(Br)cc1F PI-31236 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [1,0,0,0,0,0|1,0,0]=2 267 B10R1.25 O=Cc1ccc(O)cc1Cl PI-10303 [1,0,0,0,0,0|2,0,0]=3 268 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [1,0,0,0,0,0|2,0,0]=3 269 B10R1.25 O=Cc1ccc(cc1Br)Cl PI-36966 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [1,0,0,0,0,0|0,0,0]=1 271 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [1,0,0,0,0,0|1,0,0]=2 272 B10R1.25 O=Cc1ccc(cc1O)Br PI-26320 [1,0,0,0,0,0|2,0,0]=3 273 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [1,0,0,0,0,0|1,0,0]=2 274 B10R1.25 OCc1ccc(cc1C)C PI-38556 [1,0,0,0,0,0|0,0,2]=3 275 B10R1.25 [C-]#[N+]c1ccc(F)cc1C PI-23767 [1,0,0,0,0,0|2,0,1]=4 276 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [1,0,0,0,0,0|2,0,0]=3 282 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [1,0,0,0,0,0|2,0,0]=3 285 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [1,0,0,0,0,0|2,0,0]=3 286 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [1,0,0,0,0,0|2,1,0]=4 287 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [1,0,0,0,0,0|2,0,0]=3 293 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [1,0,0,0,0,0|1,0,0]=2 294 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [1,0,0,0,0,0|1,0,0]=2 295 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [1,0,0,0,0,0|1,0,0]=2 296 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [1,0,0,0,0,0|1,0,0]=2 297 B10R1.61 CC(=O)c1ccccc1I PI-29345 [1,0,0,0,0,0|1,0,0]=2 298 B10R1.61 CC(=O)c1ccccc1N PI-11796 [1,0,0,0,0,0|1,0,0]=2 299 B10R1.61 CC(C)c1ccccc1S PI-17353 [1,0,0,0,0,0|2,0,1]=4 300 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [1,0,0,0,0,0|1,0,2]=4 301 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [1,0,0,0,0,0|1,0,2]=4 302 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [1,0,0,0,0,0|1,0,2]=4 303 B10R1.61 CC(c1ccccc1Br)C PI-21543 [1,0,0,0,0,0|2,0,1]=4 304 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.61 CC1=C(C=NC=C1)[N+](=O)[O-] PI-10377 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [1,0,0,0,0,0|0,0,0]=1 308 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [1,0,0,0,0,0|1,0,0]=2 309 B10R1.61 CC1=NC=CN=C1C(=O)C PI-11038 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [1,0,0,0,0,0|1,0,2]=4 311 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [1,0,0,0,0,0|1,0,2]=4 312 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [1,0,0,0,0,0|1,0,2]=4 313 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [1,0,0,0,0,0|1,0,2]=4 314 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [1,0,0,0,0,0|2,0,0]=3 315 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [1,0,0,0,0,0|2,1,0]=4 316 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [1,0,0,0,0,0|2,1,0]=4 317 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.61 OB(c1ccccc1C)O PI-10305 [1,0,0,0,0,0|2,0,1]=4 319 B10R1.61 OC(=O)c1ccccc1F PI-16976 [1,0,0,0,0,0|2,0,0]=3 320 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.61 OC(=O)c1cccnc1F PI-16387 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.61 OC(=O)c1cccnc1N PI-31221 [1,0,0,0,0,0|3,0,0]=4 323 B10R1.61 OC(=O)c1cccnc1O PI-16700 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.61 OC(=O)c1ccncc1I PI-38273 [1,0,0,0,0,0|3,0,0]=4 326 B10R1.61 OC(=O)c1ccncc1N PI-10177 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.61 OC(=O)c1ccncc1O PI-28020 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.61 OC(=O)c1cnccc1N PI-10029 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.61 OC(=O)c1ncccc1F PI-34434 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.61 OC(=O)c1ncccc1N PI-14129 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.61 OC(=O)c1ncccc1O PI-16553 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.61 [O-][N+](=O)c1cccnc1C PI-31380 [1,0,0,0,0,0|3,0,0]=4 339 B12R1.57 C1=CC(=C(C=C1Br)CBr)[N+](=O)[O-] PI-44090 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.57 C1=CC(=C(C=C1Cl)CO)[N+](=O)[O-] PI-26874 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.57 C1=CC(=C(C=C1O)CO)[N+](=O)[O-] PI-26784 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC PI-27655 [0,1,0,0,0,0|1,0,0]=2 343 B12R1.57 CC1=CC(=C(C=C1)[N+](=O)[O-])CO PI-26837 [0,1,0,0,0,0|2,0,0]=3 344 B12R1.57 COC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-43287 [0,1,0,0,0,0|3,0,0]=4 345 B12R1.57 COc1cc(C)ccc1C(=O)O PI-36551 [0,1,0,0,0,0|1,0,0]=2 346 B12R1.57 COc1cc(C)ccc1[N+](=O)[O-] PI-29537 [0,1,0,0,0,0|2,0,0]=3 347 B12R1.57 COc1cc(Cl)ccc1C(=O)O PI-28661 [0,1,0,0,0,0|2,0,0]=3 348 B12R1.57 COc1cc(Cl)ccc1[N+](=O)[O-] PI-29835 [0,1,0,0,0,0|3,0,0]=4 349 B12R1.57 COc1cc(F)ccc1[N+](=O)[O-] PI-34510 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.126 Brc1ccc(c(c1)C)S(=O)(=O)Cl PI-14467 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.126 CC1=C(C=CC(=C1)F)S(=O)(=O)C PI-23758 [0,1,0,0,0,0|2,0,0]=3 352 B12R1.126 CC1=C(C=CC(=C1)F)S(=O)(=O)Cl PI-23740 [0,1,0,0,0,0|3,0,0]=4 353 B12R1.126 CC1=C(C=CC(=C1)F)S(=O)(=O)N PI-19645 [0,1,0,0,0,0|3,0,0]=4 354 B12R1.126 CC1=CC(=C(C=C1)S(=O)(=O)Cl)F PI-23736 [0,1,0,0,0,0|3,0,0]=4 355 B12R1.126 Cc1ccc(c(C)c1)S(=O)(=O)C PI-23934 [0,1,0,0,0,0|1,0,0]=2 356 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)Cl PI-19758 [0,1,0,0,0,0|2,0,0]=3 357 B12R1.126 O=S(C1=CC=C(C)C=C1O)(O)=O PI-40326 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.232 B(C1=CC(=C(C=C1C)C)C)(O)O PI-49953 [0,1,0,0,0,0|2,0,1]=4 359 B12R1.232 C1=C(C(=CC(=C1Br)Cl)N)C(=O)O PI-45739 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O PI-39988 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.232 C1=C(C(=CC(=C1F)Br)F)C(=O)O PI-40947 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O PI-16073 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)Cl PI-20038 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O PI-16075 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.232 C1=C(C(=CC(=C1F)F)Cl)C(=O)O PI-16074 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)Cl PI-34298 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)N PI-30997 [0,1,0,0,0,0|3,0,0]=4 368 B12R1.232 C1=C(C(=CC(=C1F)F)I)C(=O)O PI-34281 [0,1,0,0,0,0|3,0,0]=4 369 B12R1.232 C1=C(C(=CC(=C1F)F)N)C(=O)O PI-10424 [0,1,0,0,0,0|3,0,0]=4 370 B12R1.232 C1=C(C(=CC(=C1O)O)O)C(=O)O PI-11736 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.232 CC(=O)C1=CC(=C(C=C1Cl)F)F PI-30099 [0,1,0,0,0,0|2,0,0]=3 372 B12R1.232 CC(=O)C1=CC(=C(C=C1F)Cl)F PI-29831 [0,1,0,0,0,0|2,0,0]=3 373 B12R1.232 CC(=O)C1=CC(=C(C=C1F)F)F PI-29103 [0,1,0,0,0,0|2,0,0]=3 374 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O PI-44126 [0,1,0,0,0,0|2,0,0]=3 375 B12R1.232 CC(=O)c1cc(Br)c(cc1F)F PI-39136 [0,1,0,0,0,0|2,0,0]=3 376 B12R1.232 CC(=O)c1cc(F)c(cc1Cl)Cl PI-16271 [0,1,0,0,0,0|2,0,0]=3 377 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F PI-34463 [0,1,0,0,0,0|2,0,0]=3 378 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C PI-27676 [0,1,0,0,0,0|1,0,0]=2 379 B12R1.232 CC1=CC(=C(C=C1C)O)C(=O)C PI-23855 [0,1,0,0,0,0|1,0,0]=2 380 B12R1.232 CC1=CC(=C(C=C1C)[N+](=O)[O-])N PI-27856 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.232 CC1=CC(=C(C=C1Cl)C(=O)C)O PI-30428 [0,1,0,0,0,0|1,0,0]=2 382 B12R1.232 CC1=CC(=C(C=C1F)F)C(=O)O PI-34480 [0,1,0,0,0,0|3,0,0]=4 383 B12R1.232 CC1=CC(=C(C=C1F)[N+](=O)[O-])F PI-21203 [0,1,0,0,0,0|3,0,0]=4 384 B12R1.232 CC1=CC(=C(C=C1N)C(C)C)O PI-19061 [0,1,0,0,0,0|2,0,1]=4 385 B12R1.232 CC1=CC(=C(C=C1N)[N+](=O)[O-])N PI-33976 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])Br)F PI-28284 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.232 CC1=CC(=O)C(=CC1=O)C(C)C PI-49847 [0,1,0,0,0,0|2,0,1]=4 388 B12R1.232 ClC(=O)c1cc(F)c(cc1Cl)Cl PI-28871 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.232 Fc1cc(C(=O)O)c(F)cc1C PI-34461 [0,1,0,0,0,0|2,0,0]=3 390 B12R1.232 Fc1cc(C(=O)O)c(F)cc1F PI-16078 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.232 Fc1cc(C(=O)O)c(cc1N)F PI-34478 [0,1,0,0,0,0|3,0,0]=4 392 B12R1.232 O=C(O)C1=CC(C)=C(C)C=C1N PI-40810 [0,1,0,0,0,0|2,0,0]=3 393 B12R1.232 O=C(O)C1=CC(N)=C(C)C=C1C PI-36846 [0,1,0,0,0,0|1,0,0]=2 394 B12R1.232 OC(=O)c1cc(Cl)c(F)cc1F PI-10197 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.232 [O-][N+](=O)c1cc(Cl)c(cc1C)Cl PI-19883 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.232 [O-][N+](=O)c1cc(Cl)c(cc1O)C PI-29873 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.232 [O-][N+](=O)c1cc(F)c(cc1C)F PI-39117 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.232 [O-][N+](=O)c1cc(N)c(cc1C)Br PI-38212 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.452 BrCc1ccc(c(c1)F)[N+](=O)[O-] PI-26104 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.452 C1=CC(=C(C=C1C#N)F)C(=O)O PI-20302 [0,1,0,0,0,0|2,0,1]=4 401 B12R1.452 C1=CC(=C(C=C1CBr)I)[N+](=O)[O-] PI-19311 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC PI-41092 [0,1,0,0,0,0|2,0,0]=3 403 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F PI-12716 [0,1,0,0,0,0|1,0,0]=2 404 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N PI-30608 [0,1,0,0,0,0|1,0,0]=2 405 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O PI-11034 [0,1,0,0,0,0|1,0,0]=2 406 B12R1.452 CC1=C(C=CC(=C1)C#N)[N+](=O)[O-] PI-30992 [0,1,0,0,0,0|2,0,1]=4 407 B12R1.452 CC1=C(C=CC(=C1)OC)[N+](=O)[O-] PI-26719 [0,1,0,0,0,0|2,0,0]=3 408 B12R1.452 CC1=C(C=CC(=N1)OC)[N+](=O)[O-] PI-44985 [0,1,0,0,0,0|3,0,0]=4 409 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl PI-33352 [0,1,0,0,0,0|2,0,0]=3 410 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I PI-50080 [0,1,0,0,0,0|2,0,0]=3 411 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O PI-10049 [0,1,0,0,0,0|2,0,0]=3 412 B12R1.452 COC1=CC(=C(C=C1)[N+](=O)[O-])F PI-29599 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.452 COc1ccc(C(=O)N)c(O)c1 PI-32435 [0,1,0,0,0,0|2,0,0]=3 414 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] PI-36894 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] PI-29347 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] PI-29863 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.452 O=Cc1ccc([N+](=O)[O-])c(C)c1 PI-32270 [0,1,0,0,0,0|2,0,1]=4 418 B12R1.452 O=[N+](C1=CC=C(OC)C=C1Cl)[O-] PI-41816 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.452 OB(C1=CC=C(OC)C=C1C)O PI-25327 [0,1,0,0,0,0|2,0,1]=4 420 B12R1.452 OCC1=CC=C([N+]([O-])=O)C(C)=C1 PI-26918 [0,1,0,0,0,0|2,0,0]=3 421 B12R1.452 OCc1ccc(c(c1)F)[N+](=O)[O-] PI-38269 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.452 OCc1ccc(c(c1)N)[N+](=O)[O-] PI-29171 [0,1,0,0,0,0|3,0,0]=4 423 B12R1.893 C1=CC(=C(C(=C1C(=O)Cl)F)Cl)F PI-20037 [0,1,0,0,0,0|3,0,0]=4 424 B12R1.893 C1=CC(=C(C(=C1C(=O)N)F)F)F PI-30289 [0,1,0,0,0,0|3,0,0]=4 425 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)Cl)F PI-20034 [0,1,0,0,0,0|3,0,0]=4 426 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)O PI-34339 [0,1,0,0,0,0|3,0,0]=4 427 B12R1.893 C1=CC(=C(C(=C1C(=O)O)O)O)O PI-27783 [0,1,0,0,0,0|3,0,0]=4 428 B12R1.893 CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl PI-12808 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.893 CC(=O)C1=C(C(=C(C=C1)O)O)O PI-29660 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.893 CC1=C(C(=C(C=C1)C(=O)Cl)F)F PI-21201 [0,1,0,0,0,0|2,0,0]=3 431 B12R1.893 CC1=C(C(=C(C=C1)[N+](=O)[O-])Cl)O PI-28476 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.893 CC1=C(C=CC(=C1C)F)[N+](=O)[O-] PI-19201 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.893 CC1=C(C=CC(=C1C)O)[N+](=O)[O-] PI-27308 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.893 CC1=C(C=CC(=C1O)C(=O)C)O PI-29030 [0,1,0,0,0,0|2,0,0]=3 435 B12R1.893 NC1=C(C=CC(F)=C1F)C(O)=O PI-41759 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1N PI-41747 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.893 O=C(O)C1=CC=C(C)C(F)=C1F PI-37178 [0,1,0,0,0,0|2,0,0]=3 438 B12R1.893 OC(=O)c1ccc(F)c(F)c1F PI-16077 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.893 OC(=O)c1ccc(c(c1C)F)F PI-34462 [0,1,0,0,0,0|2,0,0]=3 440 B12R1.893 OC(=O)c1ccc(c(c1F)C)F PI-34460 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.893 OC(=O)c1ccc(c(c1F)F)N PI-38299 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.893 OC(=O)c1ccc(c(c1N)C)C PI-32620 [0,1,0,0,0,0|2,0,0]=3 443 B12R1.893 OC(=O)c1ccc(c(c1N)I)C PI-34646 [0,1,0,0,0,0|2,0,0]=3 444 B12R1.893 [O-][N+](=O)c1ccc(c(c1C)N)C PI-36932 [0,1,0,0,0,0|2,0,0]=3 445 B12R1.1000 B(C1=C(C=C(C=C1C)C)C)(O)O PI-16407 [0,1,0,0,0,0|2,0,1]=4 446 B12R1.1000 C1=C(C=C(C(=C1Br)C(=O)O)Br)Br PI-47141 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.1000 C1=C(C=C(C(=C1Cl)C(=O)Cl)Cl)Cl PI-32962 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.1000 C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl PI-31210 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)N)F)F PI-30947 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)O)F)Br PI-28222 [0,1,0,0,0,0|3,0,0]=4 451 B12R1.1000 CC(=O)C1=C(C)C=C(C)C=C1C PI-29186 [0,1,0,0,0,0|0,0,0]=1 452 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PI-11028 [0,1,0,0,0,0|2,0,0]=3 453 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PI-30377 [0,1,0,0,0,0|2,0,0]=3 454 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C PI-31205 [0,1,0,0,0,0|1,0,0]=2 455 B12R1.1000 CC1=CC(=C(C(=C1)C)[N+](=O)[O-])C PI-19753 [0,1,0,0,0,0|2,0,0]=3 456 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O PI-19639 [0,1,0,0,0,0|2,0,0]=3 457 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)C)O PI-15821 [0,1,0,0,0,0|2,0,0]=3 458 B12R1.1000 CC1=CC(=CC(=C1C(=O)N)Cl)Cl PI-21052 [0,1,0,0,0,0|2,0,0]=3 459 B12R1.1000 CC1=CC(=CC(=C1C(=O)O)C)O PI-34840 [0,1,0,0,0,0|2,0,0]=3 460 B12R1.1000 CC1=CC(=CC(=C1[N+](=O)[O-])C)O PI-48857 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.1000 CC1=CC(=NC(=C1C(=O)N)Cl)Cl PI-21054 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.1000 CC1=CC(=NC(=C1C(=O)N)N)C PI-14084 [0,1,0,0,0,0|2,0,0]=3 463 B12R1.1000 CC1=CC(=NC(=C1[N+](=O)[O-])N)C PI-44051 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.1000 CC1=CC(=O)C(C(=O)O1)C(=O)C PI-15822 [0,1,0,0,0,0|2,0,1]=4 465 B12R1.1000 Cc1cc(C)c(C(=O)Cl)c(C)c1 PI-12137 [0,1,0,0,0,0|1,0,0]=2 466 B12R1.1000 Clc1cc(C)c(c(n1)Cl)C(=O)O PI-38195 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.1000 Fc1cc(F)c(C(=O)O)c(F)c1 PI-16079 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.1000 O=C(O)C1=C(O)C=C(O)C=C1O PI-37375 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.1000 Oc1cc(F)c(C(=O)O)c(F)c1 PI-28272 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.1703 C1=CC(=C(C=C1Br)Br)C(=O)CBr PI-31571 [0,1,0,0,0,0|2,0,0]=3 471 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CBr PI-12358 [0,1,0,0,0,0|2,0,0]=3 472 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CCl PI-11716 [0,1,0,0,0,0|2,0,0]=3 473 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CN PI-10227 [0,1,0,0,0,0|2,0,0]=3 474 B12R1.1703 C1=CC(=C(C=C1Cl)O)C(=O)NO PI-30783 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)C=O PI-21222 [0,1,0,0,0,0|2,0,1]=4 476 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CBr PI-11717 [0,1,0,0,0,0|2,0,0]=3 477 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CCl PI-28595 [0,1,0,0,0,0|2,0,0]=3 478 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CN PI-10228 [0,1,0,0,0,0|2,0,0]=3 479 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)NN PI-21139 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.1703 C1=CC(=C(C=C1N)O)C(=O)NN PI-50258 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CBr PI-30376 [0,1,0,0,0,0|2,0,0]=3 482 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CCl PI-50684 [0,1,0,0,0,0|2,0,0]=3 483 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN PI-50279 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.1703 CC(=NO)C1=C(C=C(C=C1)Cl)Cl PI-20999 [0,1,0,0,0,0|2,0,1]=4 485 B12R1.1703 CC1=C(C=CC(=C1)Cl)C(=O)OC PI-50465 [0,1,0,0,0,0|1,0,0]=2 486 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC PI-50475 [0,1,0,0,0,0|1,0,0]=2 487 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PI-29413 [0,1,0,0,0,0|0,0,0]=1 488 B12R1.1703 CC1=CC(=C(C=C1)C(=O)OC)O PI-28558 [0,1,0,0,0,0|1,0,0]=2 489 B12R1.1703 CC1=CC(=CN=C1C(=O)OC)Br PI-48295 [0,1,0,0,0,0|2,0,0]=3 490 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Cl)Cl PI-17228 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.1703 CCC(=O)c1ccc(cc1F)F PI-28864 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 PI-39273 [0,1,0,0,0,0|2,0,0]=3 493 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)Cl PI-50469 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)N PI-33943 [0,1,0,0,0,0|2,0,0]=3 495 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)O PI-43951 [0,1,0,0,0,0|2,0,0]=3 496 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl PI-30511 [0,1,0,0,0,0|2,0,0]=3 497 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)F PI-44533 [0,1,0,0,0,0|2,0,0]=3 498 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)N PI-11781 [0,1,0,0,0,0|2,0,0]=3 499 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl PI-33820 [0,1,0,0,0,0|2,0,0]=3 500 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)F PI-28041 [0,1,0,0,0,0|2,0,0]=3 501 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PI-33942 [0,1,0,0,0,0|2,0,0]=3 502 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PI-18539 [0,1,0,0,0,0|2,0,0]=3 503 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl PI-36171 [0,1,0,0,0,0|2,0,0]=3 504 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O PI-10048 [0,1,0,0,0,0|2,0,0]=3 505 B12R1.1703 COC(=O)C1=NC=C(C=C1Cl)Br PI-44607 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl PI-33141 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C PI-42589 [0,1,0,0,0,0|1,0,0]=2 508 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F PI-42389 [0,1,0,0,0,0|2,0,0]=3 509 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [0,0,0,1,0,0|2,0,0]=3 510 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,0,0,1,0,0|1,0,0]=2 511 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,0,0,1,0,0|2,0,0]=3 512 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [0,0,0,1,0,0|2,0,0]=3 513 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [0,0,0,1,0,0|2,0,0]=3 514 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [0,0,0,1,0,0|2,0,0]=3 515 B12R2.612 C1C2=C(C=CC(=N2)Cl)C(=O)N1 PI-48341 [0,0,0,1,0,0|3,0,0]=4 516 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,0,0,1,0,0|1,0,0]=2 517 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,0,0,1,0,0|1,0,0]=2 518 B12R2.612 CC1=C2C=CC(=CC2=NN1)N PI-45010 [0,0,0,1,0,0|3,0,0]=4 519 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 PI-41874 [0,0,0,1,0,0|2,0,1]=4 520 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,0,0,1,0,0|1,0,0]=2 521 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,0,0,1,0,0|1,0,0]=2 522 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,0,0,1,0,0|0,0,0]=1 523 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [0,0,0,1,0,0|2,0,0]=3 524 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [0,0,0,1,0,0|2,0,0]=3 525 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,0,0,1,0,0|1,0,0]=2 526 B10R1.59 CC1=C(OC(=C1)Br)C(=O)O PI-49746 [0,0,0,0,1,0|3,0,0]=4 527 B10R1.59 CC1=C(SC(=N1)C)C(=O)O PI-21993 [0,0,0,0,1,0|3,0,0]=4 528 B10R1.59 CC1=C(SC(=N1)N)C(=O)C PI-26047 [0,0,0,0,1,0|3,0,0]=4 529 B10R1.59 CC1=CC(=C(N1)C(=O)O)C PI-31903 [0,0,0,0,1,0|2,0,0]=3 530 B10R1.59 CC1=CC(=C(N1)C)C(=O)O PI-29708 [0,0,0,0,1,0|2,0,0]=3 531 B10R1.59 CC1=CC(=C(O1)C)C(=O)C PI-26051 [0,0,0,0,1,0|1,0,0]=2 532 B10R1.59 CC1=CC(=C(O1)C)C(=O)Cl PI-23851 [0,0,0,0,1,0|2,0,0]=3 533 B10R1.59 CC1=CC(=NN1C(=O)N)C PI-13605 [0,0,0,0,1,0|3,0,0]=4 534 B10R1.59 CC1=NN(C(=C1)C(=O)Cl)C PI-21981 [0,0,0,0,1,0|3,0,0]=4 535 B10R1.59 CC1=NN(C(=C1)C(=O)N)C PI-21983 [0,0,0,0,1,0|3,0,0]=4 536 B10R1.59 CC1=NN(C(=C1)C(=O)O)C PI-21984 [0,0,0,0,1,0|3,0,0]=4 537 B10R1.59 Cc1nc(c(s1)C(=O)C)C PI-11114 [0,0,0,0,1,0|2,0,0]=3 538 B10R1.59 Cc1sc(c(c1)C(=O)O)C PI-29415 [0,0,0,0,1,0|2,0,0]=3 539 B10R1.59 Clc1sc(Cl)c(c1)C(=O)C PI-21085 [0,0,0,0,1,0|3,0,0]=4 540 B10R1.194 ClC(=O)c1scc(Br)c1C PI-22180 [0,0,0,0,1,0|3,0,0]=4 541 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [0,0,0,0,1,0|3,0,0]=4 542 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O PI-11746 [0,0,0,0,0,1|3,0,0]=4 543 B12R1.233 C1=CC(=C(C=C1F)Br)CC(=O)O PI-44979 [0,0,0,0,0,1|3,0,0]=4 544 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O PI-30228 [0,0,0,0,0,1|3,0,0]=4 545 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)F PI-28379 [0,0,0,0,0,1|2,0,0]=3 546 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)I PI-50165 [0,0,0,0,0,1|2,0,0]=3 547 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)Br PI-28019 [0,0,0,0,0,1|2,0,0]=3 548 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F PI-34148 [0,0,0,0,0,1|2,0,0]=3 549 B12R1.233 CC(=O)NC1=C(C=C(C=C1)N)Cl PI-37796 [0,0,0,0,0,1|2,0,0]=3 550 B12R1.233 CC1=C(C=CC(=C1)Cl)NC(=O)C PI-20149 [0,0,0,0,0,1|1,0,0]=2 551 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)C PI-11754 [0,0,0,0,0,1|1,0,0]=2 552 B12R1.233 CC1=CC(=C(C=C1)NC(=S)N)C PI-23969 [0,0,0,0,0,1|1,1,0]=3 553 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl PI-38895 [0,0,0,0,0,1|3,0,0]=4 554 B12R1.233 OC(=O)Cc1ccc(cc1F)Br PI-35230 [0,0,0,0,0,1|3,0,0]=4 555 B12R1.233 OC(=O)Cc1ccc(cc1F)F PI-13373 [0,0,0,0,0,1|3,0,0]=4 556 B9R0.2 CC=CC=CCOC(=O)C PI-40367 [1,0,1,0,0,0|1,0,1]=4 557 B9R1.1 C1=CC(=CC=C1C=O)Cl PI-34386 [2,0,0,0,0,0|1,0,0]=3 558 B9R1.1 C1=CC(=CC=C1C=O)F PI-33068 [2,0,0,0,0,0|1,0,0]=3 559 B9R1.1 C1=CC(=NC=C1C=O)Br PI-35910 [2,0,0,0,0,0|2,0,0]=4 560 B9R1.1 C1=CC(=NC=C1C=O)Cl PI-41221 [2,0,0,0,0,0|2,0,0]=4 561 B9R1.1 C1=CC(=NC=C1O)C=O PI-40986 [2,0,0,0,0,0|2,0,0]=4 562 B9R1.1 C=Cc1ccc(cc1)Br PI-22599 [2,0,0,0,0,0|1,0,1]=4 563 B9R1.1 C=Cc1ccc(cc1)Cl PI-38314 [2,0,0,0,0,0|1,0,1]=4 564 B9R1.1 C=Cc1ccc(cc1)N PI-17562 [2,0,0,0,0,0|1,0,1]=4 565 B9R1.1 C=Cc1ccc(nc1)C PI-38680 [2,0,0,0,0,0|1,0,1]=4 566 B9R1.1 CC1=CC=C(C=C1)C#C PI-30916 [2,0,0,0,0,0|0,0,2]=4 567 B9R1.1 CC1=CC=C(C=C1)CBr PI-38678 [2,0,0,0,0,0|1,0,1]=4 568 B9R1.1 CC1=NC=C(C=C1)C=O PI-48154 [2,0,0,0,0,0|1,0,0]=3 569 B9R1.1 CCC1=CC=C(C=C1)Br PI-16231 [2,0,0,0,0,0|1,0,1]=4 570 B9R1.1 CCC1=CC=C(C=C1)Cl PI-19776 [2,0,0,0,0,0|1,0,1]=4 571 B9R1.1 CCC1=CC=C(C=C1)F PI-22092 [2,0,0,0,0,0|1,0,1]=4 572 B9R1.1 CCC1=CC=C(C=C1)S PI-13700 [2,0,0,0,0,0|1,0,1]=4 573 B9R1.1 CCc1ccc(C)cc1 PI-36542 [2,0,0,0,0,0|0,0,1]=3 574 B9R1.1 CNC1=CC=C(C=C1)Cl PI-34211 [2,0,0,0,0,0|2,0,0]=4 575 B9R1.1 CNC1=CC=C(C=C1)N PI-10555 [2,0,0,0,0,0|2,0,0]=4 576 B9R1.1 CNc1ccc(cc1)Br PI-21585 [2,0,0,0,0,0|2,0,0]=4 577 B9R1.1 COC1=CC=C(C=C1)F PI-12219 [2,0,0,0,0,0|2,0,0]=4 578 B9R1.1 COC1=CC=C(C=C1)S PI-21363 [2,0,0,0,0,0|2,0,0]=4 579 B9R1.1 COc1ccc(Cl)cc1 PI-34198 [2,0,0,0,0,0|2,0,0]=4 580 B9R1.1 COc1ccc(cc1)Br PI-34196 [2,0,0,0,0,0|2,0,0]=4 581 B9R1.1 COc1ccc(cc1)I PI-33808 [2,0,0,0,0,0|2,0,0]=4 582 B9R1.1 COc1ccc(cc1)O PI-31355 [2,0,0,0,0,0|2,0,0]=4 583 B9R1.1 CSC1=CC=C(C=C1)F PI-11986 [2,0,0,0,0,0|2,0,0]=4 584 B9R1.1 CSc1ccc(cc1)O PI-18075 [2,0,0,0,0,0|2,0,0]=4 585 B9R1.1 NC1=CC=C(SC)C=C1 PI-11963 [2,0,0,0,0,0|2,0,0]=4 586 B9R1.1 NNc1ccc(C)cc1 PI-13126 [2,0,0,0,0,0|2,0,0]=4 587 B9R1.1 O=CC1=CC=C(N)N=C1 PI-37351 [2,0,0,0,0,0|2,0,0]=4 588 B9R1.1 O=CC1=NC=C(F)C=C1 PI-37201 [2,0,0,0,0,0|2,0,0]=4 589 B9R1.1 O=Cc1ccc(Br)cc1 PI-12729 [2,0,0,0,0,0|1,0,0]=3 590 B9R1.1 O=Cc1ccc(cc1)I PI-27209 [2,0,0,0,0,0|1,0,0]=3 591 B9R1.1 O=Cc1ccc(cc1)O PI-37802 [2,0,0,0,0,0|1,0,0]=3 592 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [2,0,0,0,0,0|2,0,0]=4 593 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [2,0,0,0,0,0|2,0,0]=4 594 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [2,0,0,0,0,0|1,0,0]=3 595 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [2,0,0,0,0,0|2,0,0]=4 596 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [2,0,0,0,0,0|2,0,0]=4 597 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [2,0,0,0,0,0|2,0,0]=4 598 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [2,0,0,0,0,0|2,0,0]=4 599 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [2,0,0,0,0,0|1,0,0]=3 600 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [2,0,0,0,0,0|2,0,0]=4 601 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [2,0,0,0,0,0|2,0,0]=4 602 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [2,0,0,0,0,0|2,0,0]=4 603 B9R1.6 CC(=O)c1cccnc1 PI-32250 [2,0,0,0,0,0|1,0,0]=3 604 B9R1.6 CC(=O)c1ccncc1 PI-38297 [2,0,0,0,0,0|1,0,0]=3 605 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [2,0,0,0,0,0|1,0,1]=4 606 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [2,0,0,0,0,0|2,0,0]=4 607 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [2,0,0,0,0,0|0,0,2]=4 608 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [2,0,0,0,0,0|1,0,1]=4 609 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [2,0,0,0,0,0|1,0,1]=4 610 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [2,0,0,0,0,0|0,0,2]=4 611 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [2,0,0,0,0,0|1,1,0]=4 612 B9R1.6 NC(=N)c1ccccc1 PI-30200 [2,0,0,0,0,0|2,0,0]=4 613 B9R1.6 NC(=O)c1cccnc1 PI-12870 [2,0,0,0,0,0|2,0,0]=4 614 B9R1.6 NC(=S)c1ccccc1 PI-29356 [2,0,0,0,0,0|1,1,0]=4 615 B9R1.6 OC(=O)c1cccnc1 PI-15824 [2,0,0,0,0,0|2,0,0]=4 616 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [2,0,0,0,0,0|2,0,0]=4 617 B9R1.15 BrC1=NC=CC=C1C=O PI-39999 [2,0,0,0,0,0|2,0,0]=4 618 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [2,0,0,0,0,0|2,0,0]=4 619 B9R1.15 C1=CC(=C(N=C1)Cl)C=O PI-34991 [2,0,0,0,0,0|2,0,0]=4 620 B9R1.15 C1=CC(=C(N=C1)F)C=O PI-39564 [2,0,0,0,0,0|2,0,0]=4 621 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [2,0,0,0,0,0|1,0,0]=3 622 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [2,0,0,0,0,0|2,0,0]=4 623 B9R1.15 C1=CN=CC(=C1N)C=O PI-14094 [2,0,0,0,0,0|2,0,0]=4 624 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [2,0,0,0,0,0|1,0,1]=4 625 B9R1.15 C=Cc1ccccc1F PI-33746 [2,0,0,0,0,0|1,0,1]=4 626 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [2,0,0,0,0,0|0,0,0]=2 627 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [2,0,0,0,0,0|1,0,1]=4 628 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [2,0,0,0,0,0|1,0,1]=4 629 B9R1.15 CCC1=CC=CC=C1I PI-19242 [2,0,0,0,0,0|1,0,1]=4 630 B9R1.15 CC[N+]1=CC=CC=C1C PI-39505 [2,0,0,0,0,0|1,0,1]=4 631 B9R1.15 CCc1ccccc1C PI-36541 [2,0,0,0,0,0|0,0,1]=3 632 B9R1.15 CNC1=CC=CC=C1F PI-28236 [2,0,0,0,0,0|2,0,0]=4 633 B9R1.15 CNC1=CC=CC=C1N PI-23401 [2,0,0,0,0,0|2,0,0]=4 634 B9R1.15 CNC1=CC=CC=C1N PI-28564 [2,0,0,0,0,0|2,0,0]=4 635 B9R1.15 COC1=CC=CC=C1Br PI-34200 [2,0,0,0,0,0|2,0,0]=4 636 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [2,0,0,0,0,0|2,0,0]=4 637 B9R1.15 COC1=CC=CC=C1F PI-12348 [2,0,0,0,0,0|2,0,0]=4 638 B9R1.15 COC1=CC=CC=C1I PI-50209 [2,0,0,0,0,0|2,0,0]=4 639 B9R1.15 COc1ccccc1S PI-21364 [2,0,0,0,0,0|2,0,0]=4 640 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [2,0,0,0,0,0|2,0,0]=4 641 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [2,0,0,0,0,0|2,0,0]=4 642 B9R1.15 CSC1=CC=CC=C1F PI-11849 [2,0,0,0,0,0|2,0,0]=4 643 B9R1.15 CSC1=CC=CC=C1O PI-20874 [2,0,0,0,0,0|2,0,0]=4 644 B9R1.15 CSc1ccccc1I PI-13705 [2,0,0,0,0,0|2,0,0]=4 645 B9R1.15 NNc1ccccc1C PI-29808 [2,0,0,0,0,0|2,0,0]=4 646 B9R1.15 O=CC1=C(Cl)C=CN=C1 PI-37019 [2,0,0,0,0,0|2,0,0]=4 647 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [2,0,0,0,0,0|1,0,0]=3 648 B9R1.15 O=Cc1ccccc1Cl PI-34387 [2,0,0,0,0,0|1,0,0]=3 649 B9R1.15 O=Cc1ccccc1F PI-27600 [2,0,0,0,0,0|1,0,0]=3 650 B9R1.15 O=Cc1cccnc1N PI-15940 [2,0,0,0,0,0|2,0,0]=4 651 B9R1.15 O=Cc1cnccc1Br PI-36813 [2,0,0,0,0,0|2,0,0]=4 652 B9R1.69 BrC1=CC(=C(C=C1)C)Cl PI-20673 [2,0,0,0,0,0|2,0,0]=4 653 B9R1.69 BrC1=CN=C(C(=C1)C)C PI-41495 [2,0,0,0,0,0|2,0,0]=4 654 B9R1.69 Brc1ccc(=O)n(C)c1 PI-35908 [2,0,0,0,0,0|2,0,0]=4 655 B9R1.69 Brc1ccc(N)c(C)c1 PI-11003 [2,0,0,0,0,0|2,0,0]=4 656 B9R1.69 Brc1ccc(c(c1)C)I PI-21533 [2,0,0,0,0,0|2,0,0]=4 657 B9R1.69 C1=C(C(=CC=C1Br)O)C PI-22157 [2,0,0,0,0,0|1,0,1]=4 658 B9R1.69 C1=C(C(=CC=C1F)O)C PI-16986 [2,0,0,0,0,0|1,0,1]=4 659 B9R1.69 C1=CC(=O)C(=CC1=O)Cl PI-17305 [2,0,0,0,0,0|2,0,0]=4 660 B9R1.69 CC1=C(C=C(C=C1)Br)N PI-31358 [2,0,0,0,0,0|2,0,0]=4 661 B9R1.69 CC1=C(C=C(C=C1)Cl)Br PI-20668 [2,0,0,0,0,0|2,0,0]=4 662 B9R1.69 CC1=C(C=C(C=C1)Cl)F PI-16988 [2,0,0,0,0,0|2,0,0]=4 663 B9R1.69 CC1=C(C=C(C=C1)Cl)I PI-19456 [2,0,0,0,0,0|2,0,0]=4 664 B9R1.69 CC1=C(C=C(C=C1)Cl)O PI-28617 [2,0,0,0,0,0|2,0,0]=4 665 B9R1.69 CC1=C(C=C(C=C1)F)C PI-11592 [2,0,0,0,0,0|1,0,0]=3 666 B9R1.69 CC1=C(C=C(C=C1)F)Cl PI-28544 [2,0,0,0,0,0|2,0,0]=4 667 B9R1.69 CC1=C(C=C(C=C1)F)F PI-28545 [2,0,0,0,0,0|2,0,0]=4 668 B9R1.69 CC1=C(C=C(C=C1)F)I PI-10676 [2,0,0,0,0,0|2,0,0]=4 669 B9R1.69 CC1=C(C=C(C=C1)F)N PI-16382 [2,0,0,0,0,0|2,0,0]=4 670 B9R1.69 CC1=C(C=C(C=C1)I)F PI-10672 [2,0,0,0,0,0|2,0,0]=4 671 B9R1.69 CC1=C(C=C(C=C1)I)N PI-19927 [2,0,0,0,0,0|2,0,0]=4 672 B9R1.69 CC1=C(C=C(C=C1)N)Br PI-10966 [2,0,0,0,0,0|2,0,0]=4 673 B9R1.69 CC1=C(C=C(C=C1)N)Cl PI-34322 [2,0,0,0,0,0|2,0,0]=4 674 B9R1.69 CC1=C(C=C(C=C1)N)F PI-16383 [2,0,0,0,0,0|2,0,0]=4 675 B9R1.69 CC1=C(C=C(C=C1)N)I PI-19496 [2,0,0,0,0,0|2,0,0]=4 676 B9R1.69 CC1=C(C=C(C=C1)N)O PI-11314 [2,0,0,0,0,0|2,0,0]=4 677 B9R1.69 CC1=C(C=C(C=C1)O)N PI-11312 [2,0,0,0,0,0|2,0,0]=4 678 B9R1.69 CC1=C(C=C(C=C1)S)C PI-11009 [2,0,0,0,0,0|1,0,0]=3 679 B9R1.69 CC1=C(C=CC(=C1)Br)Cl PI-20675 [2,0,0,0,0,0|2,0,0]=4 680 B9R1.69 CC1=C(C=CC(=C1)Br)F PI-31216 [2,0,0,0,0,0|2,0,0]=4 681 B9R1.69 CC1=C(C=CC(=C1)Cl)F PI-28542 [2,0,0,0,0,0|2,0,0]=4 682 B9R1.69 CC1=C(C=CC(=C1)Cl)N PI-34323 [2,0,0,0,0,0|2,0,0]=4 683 B9R1.69 CC1=C(C=CC(=C1)Cl)O PI-11333 [2,0,0,0,0,0|1,0,1]=4 684 B9R1.69 CC1=C(C=CC(=C1)F)Br PI-16983 [2,0,0,0,0,0|2,0,0]=4 685 B9R1.69 CC1=C(C=CC(=C1)F)Cl PI-16931 [2,0,0,0,0,0|2,0,0]=4 686 B9R1.69 CC1=C(C=CC(=C1)F)F PI-28543 [2,0,0,0,0,0|2,0,0]=4 687 B9R1.69 CC1=C(C=CC(=C1)F)I PI-10678 [2,0,0,0,0,0|2,0,0]=4 688 B9R1.69 CC1=C(C=CC(=C1)F)N PI-16985 [2,0,0,0,0,0|2,0,0]=4 689 B9R1.69 CC1=C(C=CC(=C1)I)Cl PI-19072 [2,0,0,0,0,0|2,0,0]=4 690 B9R1.69 CC1=C(C=CC(=C1)I)F PI-10673 [2,0,0,0,0,0|2,0,0]=4 691 B9R1.69 CC1=C(C=CC(=C1)I)N PI-30113 [2,0,0,0,0,0|2,0,0]=4 692 B9R1.69 CC1=C(C=CC(=C1)N)Cl PI-24577 [2,0,0,0,0,0|2,0,0]=4 693 B9R1.69 CC1=C(C=CC(=C1)N)F PI-16984 [2,0,0,0,0,0|2,0,0]=4 694 B9R1.69 CC1=C(C=CC(=C1)N)O PI-10082 [2,0,0,0,0,0|1,0,1]=4 695 B9R1.69 CC1=C(C=CC(=C1)O)F PI-10655 [2,0,0,0,0,0|2,0,0]=4 696 B9R1.69 CC1=C(C=CC(=C1)O)N PI-11473 [2,0,0,0,0,0|2,0,0]=4 697 B9R1.69 CC1=C(C=CC(=C1)S)F PI-23789 [2,0,0,0,0,0|2,0,0]=4 698 B9R1.69 CC1=CC(=C(C=C1)Br)Cl PI-20674 [2,0,0,0,0,0|2,0,0]=4 699 B9R1.69 CC1=CC(=C(C=C1)C)O PI-33176 [2,0,0,0,0,0|1,0,0]=3 700 B9R1.69 CC1=CC(=C(C=C1)C)S PI-21355 [2,0,0,0,0,0|1,0,0]=3 701 B9R1.69 CC1=CC(=C(C=C1)Cl)Br PI-20672 [2,0,0,0,0,0|2,0,0]=4 702 B9R1.69 CC1=CC(=C(C=C1)Cl)C PI-24680 [2,0,0,0,0,0|1,0,0]=3 703 B9R1.69 CC1=CC(=C(C=C1)Cl)F PI-10669 [2,0,0,0,0,0|2,0,0]=4 704 B9R1.69 CC1=CC(=C(C=C1)Cl)N PI-17325 [2,0,0,0,0,0|2,0,0]=4 705 B9R1.69 CC1=CC(=C(C=C1)Cl)O PI-42096 [2,0,0,0,0,0|2,0,0]=4 706 B9R1.69 CC1=CC(=C(C=C1)F)Cl PI-10668 [2,0,0,0,0,0|2,0,0]=4 707 B9R1.69 CC1=CC(=C(C=C1)F)F PI-16918 [2,0,0,0,0,0|2,0,0]=4 708 B9R1.69 CC1=CC(=C(C=C1)F)I PI-10677 [2,0,0,0,0,0|2,0,0]=4 709 B9R1.69 CC1=CC(=C(C=C1)F)N PI-16989 [2,0,0,0,0,0|2,0,0]=4 710 B9R1.69 CC1=CC(=C(C=C1)F)O PI-10653 [2,0,0,0,0,0|2,0,0]=4 711 B9R1.69 CC1=CC(=C(C=C1)I)Br PI-21532 [2,0,0,0,0,0|2,0,0]=4 712 B9R1.69 CC1=CC(=C(C=C1)I)Cl PI-19073 [2,0,0,0,0,0|2,0,0]=4 713 B9R1.69 CC1=CC(=C(C=C1)I)F PI-10675 [2,0,0,0,0,0|2,0,0]=4 714 B9R1.69 CC1=CC(=C(C=C1)I)I PI-19174 [2,0,0,0,0,0|2,0,0]=4 715 B9R1.69 CC1=CC(=C(C=C1)N)C PI-27338 [2,0,0,0,0,0|1,0,0]=3 716 B9R1.69 CC1=CC(=C(C=C1)N)Cl PI-20150 [2,0,0,0,0,0|2,0,0]=4 717 B9R1.69 CC1=CC(=C(C=C1)N)O PI-28344 [2,0,0,0,0,0|2,0,0]=4 718 B9R1.69 CC1=CC(=C(C=C1)N)S PI-41435 [2,0,0,0,0,0|2,0,0]=4 719 B9R1.69 CC1=CC(=C(C=C1)O)Cl PI-19823 [2,0,0,0,0,0|1,0,1]=4 720 B9R1.69 CC1=CC(=C(C=C1)O)N PI-44624 [2,0,0,0,0,0|1,0,1]=4 721 B9R1.69 CC1=CC(=C(C=C1)S)C PI-21999 [2,0,0,0,0,0|0,1,0]=3 722 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30102 [2,0,0,0,0,0|1,1,0]=4 723 B9R1.69 CC1=CC(=C(C=C1)[S-])[S-] PI-30441 [2,0,0,0,0,0|1,1,0]=4 724 B9R1.69 CC1=CC(=C(N=C1)C)C PI-16692 [2,0,0,0,0,0|1,0,0]=3 725 B9R1.69 CC1=CN=C(C(=N1)C)C PI-11726 [2,0,0,0,0,0|2,0,0]=4 726 B9R1.69 CC1=NC(=C(C=C1)N)C PI-16694 [2,0,0,0,0,0|2,0,0]=4 727 B9R1.69 CC1=NC(=C(C=C1)N)C PI-33783 [2,0,0,0,0,0|2,0,0]=4 728 B9R1.69 CC1=NC(=C(C=C1)O)C PI-21953 [2,0,0,0,0,0|1,0,1]=4 729 B9R1.69 Cc1ccc(Br)cc1F PI-31215 [2,0,0,0,0,0|2,0,0]=4 730 B9R1.69 Cc1ccc(I)c(N)c1 PI-13704 [2,0,0,0,0,0|2,0,0]=4 731 B9R1.69 Cc1ccc(N)c(Br)c1 PI-21582 [2,0,0,0,0,0|2,0,0]=4 732 B9R1.69 Cc1ccc(c(c1)Br)F PI-28541 [2,0,0,0,0,0|2,0,0]=4 733 B9R1.69 Cc1ccc(c(c1)C)Br PI-38906 [2,0,0,0,0,0|1,0,0]=3 734 B9R1.69 Cc1ccc(c(c1)F)Br PI-16987 [2,0,0,0,0,0|2,0,0]=4 735 B9R1.69 Cc1ccc(c(c1)F)N PI-16381 [2,0,0,0,0,0|2,0,0]=4 736 B9R1.69 Cc1ccc(c(c1)N)Br PI-32614 [2,0,0,0,0,0|2,0,0]=4 737 B9R1.69 Cc1ccc(c(c1)N)N PI-33398 [2,0,0,0,0,0|2,0,0]=4 738 B9R1.69 Cc1ccc(c(c1)O)O PI-11188 [2,0,0,0,0,0|1,0,1]=4 739 B9R1.69 Cc1ccc(c(n1)C)Br PI-14419 [2,0,0,0,0,0|2,0,0]=4 740 B9R1.69 Cc1ncc(c(c1)C)N PI-38589 [2,0,0,0,0,0|2,0,0]=4 741 B9R1.69 Clc1ccc(c(c1)C)Br PI-20669 [2,0,0,0,0,0|2,0,0]=4 742 B9R1.69 Clc1ccc(c(c1)C)C PI-11593 [2,0,0,0,0,0|1,0,0]=3 743 B9R1.69 Clc1ccc(c(c1)C)I PI-30351 [2,0,0,0,0,0|2,0,0]=4 744 B9R1.69 Fc1ccc(C)c(S)c1 PI-23790 [2,0,0,0,0,0|2,0,0]=4 745 B9R1.69 Fc1ccc(S)c(C)c1 PI-23788 [2,0,0,0,0,0|1,1,0]=4 746 B9R1.69 Fc1ccc(c(c1)Br)C PI-16886 [2,0,0,0,0,0|2,0,0]=4 747 B9R1.69 Fc1ccc(c(c1)O)C PI-10656 [2,0,0,0,0,0|2,0,0]=4 748 B9R1.69 Ic1ccc(Br)c(C)c1 PI-21531 [2,0,0,0,0,0|2,0,0]=4 749 B9R1.69 Nc1ccc(Br)c(C)c1 PI-21584 [2,0,0,0,0,0|2,0,0]=4 750 B9R1.69 Nc1ccc(C)c(O)c1 PI-11313 [2,0,0,0,0,0|2,0,0]=4 751 B9R1.69 Nc1ccc(c(c1)C)N PI-19993 [2,0,0,0,0,0|2,0,0]=4 752 B9R1.69 O=C1C=CC(N)=CN1C PI-46613 [2,0,0,0,0,0|2,0,0]=4 753 B9R1.69 OC1=CC=C(C)C=C1Br PI-14476 [2,0,0,0,0,0|1,0,1]=4 754 B9R1.69 Oc1ccc(C)c(C)c1 PI-34164 [2,0,0,0,0,0|1,0,0]=3 755 B9R1.69 Oc1ccc(C)c(F)c1 PI-10654 [2,0,0,0,0,0|2,0,0]=4 756 B9R1.69 Oc1ccc(c(c1)C)Br PI-14477 [2,0,0,0,0,0|2,0,0]=4 757 B9R1.69 Oc1ccc(c(c1)O)C PI-19649 [2,0,0,0,0,0|2,0,0]=4 758 B9R1.69 Sc1ccc(C)c(F)c1 PI-23787 [2,0,0,0,0,0|2,0,0]=4 759 B9R1.69 Sc1ccc(c(c1)C)O PI-18459 [2,0,0,0,0,0|1,0,1]=4 760 B11R1.3 BrCc1ccc(cc1)C(=O)O PI-11969 [1,1,0,0,0,0|1,0,0]=3 761 B11R1.3 C#CC1=CC=C(C=C1)C(=O)O PI-46517 [1,1,0,0,0,0|1,0,1]=4 762 B11R1.3 C1=CC(=CC=C1C(=O)O)NN PI-11467 [1,1,0,0,0,0|2,0,0]=4 763 B11R1.3 C1=CC(=CC=C1CN)[N+](=O)[O-] PI-41579 [1,1,0,0,0,0|2,0,0]=4 764 B11R1.3 C1=CC(=CC=C1CO)C(=O)O PI-24305 [1,1,0,0,0,0|1,0,0]=3 765 B11R1.3 C=Cc1ccc(cc1)C(=O)O PI-30056 [1,1,0,0,0,0|1,0,1]=4 766 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N PI-16159 [1,1,0,0,0,0|0,0,1]=3 767 B11R1.3 CC(=O)C1=CC=C(C=C1)C=O PI-27504 [1,1,0,0,0,0|0,0,1]=3 768 B11R1.3 CC(C)C1=CC=C(C=C1)CN PI-19626 [1,1,0,0,0,0|1,0,1]=4 769 B11R1.3 CC(C1=CC=C(C=C1)OC)N PI-32643 [1,1,0,0,0,0|1,0,1]=4 770 B11R1.3 CC(C1=CC=C(SC)C=C1)=O PI-16796 [1,1,0,0,0,0|0,0,0]=2 771 B11R1.3 CC(O)C1=CC=C(OC)C=C1 PI-32585 [1,1,0,0,0,0|0,0,2]=4 772 B11R1.3 CCC1=CC=C(C=C1)C(=O)C PI-12886 [1,1,0,0,0,0|0,0,0]=2 773 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl PI-12125 [1,1,0,0,0,0|1,0,0]=3 774 B11R1.3 CCC1=CC=C(C=C1)C(=O)N PI-30492 [1,1,0,0,0,0|1,0,0]=3 775 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-23374 [1,1,0,0,0,0|2,0,0]=4 776 B11R1.3 CN(C)C1=CC=C(C=C1)CN PI-35653 [1,1,0,0,0,0|2,0,0]=4 777 B11R1.3 CN(C)C1=CC=C(C=C1)CO PI-41788 [1,1,0,0,0,0|2,0,0]=4 778 B11R1.3 CNC1=CC=C(C=C1)[N+](=O)[O-] PI-26020 [1,1,0,0,0,0|2,0,0]=4 779 B11R1.3 COC1=CC=C(C=C1)C(=O)N PI-10932 [1,1,0,0,0,0|1,0,0]=3 780 B11R1.3 COc1ccc(cc1)C(=N)N PI-38826 [1,1,0,0,0,0|2,0,0]=4 781 B11R1.3 COc1ccc(cc1)C(=O)O PI-31764 [1,1,0,0,0,0|1,0,0]=3 782 B11R1.3 COc1ccc(cc1)C(Cl)=O PI-31760 [1,1,0,0,0,0|1,0,0]=3 783 B11R1.3 COc1ccc(cc1)[C@@H](N)C PI-32642 [1,1,0,0,0,0|1,0,1]=4 784 B11R1.3 COc1ccc(cn1)C(=O)O PI-28741 [1,1,0,0,0,0|2,0,0]=4 785 B11R1.3 COc1ccc(nc1)C(=O)O PI-38926 [1,1,0,0,0,0|2,0,0]=4 786 B11R1.3 CSC1=CC=C(C=C1)[N+](=O)[O-] PI-12010 [1,1,0,0,0,0|2,0,0]=4 787 B11R1.3 C[C@@H](C1=CC=C(C=C1)OC)O PI-49809 [1,1,0,0,0,0|0,0,2]=4 788 B11R1.3 ClCc1ccc(cc1)C(=O)O PI-16127 [1,1,0,0,0,0|1,0,0]=3 789 B11R1.3 N#Cc1ccc(cc1)C(=O)Cl PI-20292 [1,1,0,0,0,0|1,0,1]=4 790 B11R1.3 NC(=O)C1=CC=C(C=C1)C#N PI-30451 [1,1,0,0,0,0|1,0,1]=4 791 B11R1.3 NCC1=CC=C([N+]([O-])=O)C=C1 PI-26234 [1,1,0,0,0,0|2,0,0]=4 792 B11R1.3 NCc1ccc(cc1)C(=O)O PI-13119 [1,1,0,0,0,0|1,0,0]=3 793 B11R1.3 O=C(N)C1=CC=C(NN)C=C1 PI-41015 [1,1,0,0,0,0|2,0,0]=4 794 B11R1.3 O=C(O)C1=CC=C(CC)C=C1 PI-10223 [1,1,0,0,0,0|1,0,0]=3 795 B11R1.3 O=C(O)C1=CC=C(NN)C=C1 PI-27393 [1,1,0,0,0,0|2,0,0]=4 796 B11R1.3 O=Cc1ccc(cc1)C(=O)O PI-18766 [1,1,0,0,0,0|1,0,1]=4 797 B11R1.3 OC(=O)c1ccc(cc1)C#N PI-31249 [1,1,0,0,0,0|1,0,1]=4 798 B11R1.3 OCc1ccc(cc1)[N+](=O)[O-] PI-32225 [1,1,0,0,0,0|2,0,0]=4 799 B11R1.19 Brc1ccc(cc1)S(=O)(=O)C PI-22518 [1,1,0,0,0,0|2,0,0]=4 800 B11R1.19 CC1=CC=C(C=C1)C(C)(C)C PI-31987 [1,1,0,0,0,0|1,0,1]=4 801 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C PI-25437 [1,1,0,0,0,0|1,0,0]=3 802 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)F PI-24422 [1,1,0,0,0,0|2,0,0]=4 803 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-48935 [1,1,0,0,0,0|2,0,0]=4 804 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O PI-49467 [1,1,0,0,0,0|2,0,0]=4 805 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] PI-18245 [1,1,0,0,0,0|2,0,0]=4 806 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)[O-] PI-30710 [1,1,0,0,0,0|2,0,0]=4 807 B11R1.19 CC1=CC=C(S(=O)([O-])=O)C=C1 PI-10885 [1,1,0,0,0,0|2,0,0]=4 808 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N PI-12897 [1,1,0,0,0,0|2,0,0]=4 809 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O PI-37598 [1,1,0,0,0,0|2,0,0]=4 810 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] PI-23777 [1,1,0,0,0,0|2,0,0]=4 811 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O PI-41319 [1,1,0,0,0,0|2,0,0]=4 812 B11R1.19 O=S(C1=CC=C(F)C=C1)(C)=O PI-29606 [1,1,0,0,0,0|2,0,0]=4 813 B11R1.19 Oc1ccc(cc1)S(=O)(=O)C PI-27192 [1,1,0,0,0,0|2,0,0]=4 814 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [1,1,0,0,0,0|1,0,0]=3 815 B11R1.21 C1=C([N+]([O-])=O)C=CC(=C1F)C PI-16887 [1,1,0,0,0,0|2,0,0]=4 816 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Br)F PI-14433 [1,1,0,0,0,0|2,0,0]=4 817 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [1,1,0,0,0,0|2,0,0]=4 818 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F PI-34234 [1,1,0,0,0,0|2,0,0]=4 819 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)F)F PI-32220 [1,1,0,0,0,0|2,0,0]=4 820 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [1,1,0,0,0,0|2,0,0]=4 821 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)Cl PI-24201 [1,1,0,0,0,0|2,0,0]=4 822 B11R1.21 C1=CC(=C(C=C1C(=O)N)O)O PI-11250 [1,1,0,0,0,0|2,0,0]=4 823 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [1,1,0,0,0,0|2,0,0]=4 824 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [1,1,0,0,0,0|2,0,0]=4 825 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [1,1,0,0,0,0|2,0,0]=4 826 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [1,1,0,0,0,0|2,0,0]=4 827 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [1,1,0,0,0,0|2,0,0]=4 828 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [1,1,0,0,0,0|2,0,0]=4 829 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [1,1,0,0,0,0|2,0,0]=4 830 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [1,1,0,0,0,0|2,0,0]=4 831 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [1,1,0,0,0,0|2,0,0]=4 832 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [1,1,0,0,0,0|2,0,0]=4 833 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [1,1,0,0,0,0|2,0,0]=4 834 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [1,1,0,0,0,0|1,0,0]=3 835 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [1,1,0,0,0,0|1,0,0]=3 836 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [1,1,0,0,0,0|1,0,0]=3 837 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [1,1,0,0,0,0|1,0,0]=3 838 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [1,1,0,0,0,0|1,0,0]=3 839 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [1,1,0,0,0,0|1,0,0]=3 840 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [1,1,0,0,0,0|1,0,0]=3 841 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [1,1,0,0,0,0|1,0,0]=3 842 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [1,1,0,0,0,0|1,0,0]=3 843 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [1,1,0,0,0,0|1,0,0]=3 844 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [1,1,0,0,0,0|1,0,0]=3 845 B11R1.21 CC(c1ccc(c(c1)N)C)C PI-19295 [1,1,0,0,0,0|1,0,1]=4 846 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F PI-23735 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [1,1,0,0,0,0|0,0,0]=2 848 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [1,1,0,0,0,0|0,0,0]=2 849 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [1,1,0,0,0,0|1,0,0]=3 850 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F PI-23749 [1,1,0,0,0,0|1,0,0]=3 851 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [1,1,0,0,0,0|1,0,0]=3 852 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F PI-23731 [1,1,0,0,0,0|1,0,0]=3 853 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N PI-30259 [1,1,0,0,0,0|1,0,0]=3 854 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [1,1,0,0,0,0|1,0,0]=3 855 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [1,1,0,0,0,0|1,0,0]=3 856 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [1,1,0,0,0,0|1,0,0]=3 857 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [1,1,0,0,0,0|1,0,0]=3 858 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Cl PI-34331 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I PI-26904 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])O PI-28629 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [1,1,0,0,0,0|1,0,0]=3 862 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F PI-23750 [1,1,0,0,0,0|2,0,0]=4 863 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)Br PI-30206 [1,1,0,0,0,0|2,0,0]=4 864 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N PI-35808 [1,1,0,0,0,0|2,0,0]=4 865 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [1,1,0,0,0,0|2,0,0]=4 866 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [1,1,0,0,0,0|2,0,0]=4 867 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.21 ClC(=O)c1ccc(C)c(Br)c1 PI-22136 [1,1,0,0,0,0|1,0,0]=3 870 B11R1.21 O=C(N)C1=CC=C(F)C(C)=C1 PI-23732 [1,1,0,0,0,0|2,0,0]=4 871 B11R1.21 O=C(N)C1=CC=C(F)C(Cl)=C1 PI-20058 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.21 O=C(N)C1=CC=C(F)C(F)=C1 PI-30958 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [1,1,0,0,0,0|1,0,0]=3 875 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [1,1,0,0,0,0|2,0,0]=4 878 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [1,1,0,0,0,0|2,0,0]=4 879 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [1,1,0,0,0,0|1,0,0]=3 880 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [1,1,0,0,0,0|2,0,0]=4 885 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [1,1,0,0,0,0|2,0,0]=4 886 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [1,1,0,0,0,0|2,0,0]=4 887 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [1,1,0,0,0,0|2,0,0]=4 888 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Br)C PI-11805 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.22 BrC1=CC=C(C(CBr)=O)C=N1 PI-41793 [1,1,0,0,0,0|2,0,0]=4 891 B11R1.22 BrCC(=O)c1ccc(F)cc1 PI-16507 [1,1,0,0,0,0|1,0,0]=3 892 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [1,1,0,0,0,0|1,0,0]=3 893 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Br PI-41036 [1,1,0,0,0,0|1,0,1]=4 894 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [1,1,0,0,0,0|1,0,1]=4 895 B11R1.22 C1=CC(=CC=C1C(=O)C=O)F PI-41037 [1,1,0,0,0,0|1,0,1]=4 896 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O PI-10322 [1,1,0,0,0,0|1,0,0]=3 897 B11R1.22 C1=CC(=CC=C1C(=O)CCl)F PI-28553 [1,1,0,0,0,0|1,0,0]=3 898 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [1,1,0,0,0,0|1,0,0]=3 899 B11R1.22 C1=CC(=CC=C1C(=O)CN)Br PI-29690 [1,1,0,0,0,0|1,0,0]=3 900 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [1,1,0,0,0,0|1,0,0]=3 901 B11R1.22 C1=CC(=CC=C1C(=O)CN)F PI-10226 [1,1,0,0,0,0|1,0,0]=3 902 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [1,1,0,0,0,0|1,0,0]=3 903 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [1,1,0,0,0,0|1,0,0]=3 904 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [1,1,0,0,0,0|1,0,0]=3 905 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [1,1,0,0,0,0|1,0,0]=3 906 B11R1.22 C1=CC(=CC=C1C(=O)NN)Br PI-20532 [1,1,0,0,0,0|2,0,0]=4 907 B11R1.22 C1=CC(=CC=C1C(=O)NN)F PI-23456 [1,1,0,0,0,0|2,0,0]=4 908 B11R1.22 C1=CC(=CC=C1C(=O)NN)I PI-50270 [1,1,0,0,0,0|2,0,0]=4 909 B11R1.22 C1=CC(=CC=C1C(=O)NN)N PI-50237 [1,1,0,0,0,0|2,0,0]=4 910 B11R1.22 C1=CC(=CC=C1C(=O)NN)O PI-50238 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.22 C1=CC(=NC=C1C(OC)=O)Cl PI-16721 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [1,1,0,0,0,0|1,0,1]=4 913 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr PI-27801 [1,1,0,0,0,0|0,0,0]=2 914 B11R1.22 CC1=CC=C(C=C1)C(=O)CN PI-30703 [1,1,0,0,0,0|0,0,0]=2 915 B11R1.22 CC1=CC=C(C=C1)C(=O)NN PI-24359 [1,1,0,0,0,0|1,0,0]=3 916 B11R1.22 CC1=CC=C(C=C1)C(=O)OC PI-50597 [1,1,0,0,0,0|0,0,0]=2 917 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br PI-12718 [1,1,0,0,0,0|1,0,0]=3 918 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PI-17560 [1,1,0,0,0,0|1,0,0]=3 919 B11R1.22 CCN(C1=CC=C(C=C1)C)N PI-29774 [1,1,0,0,0,0|2,0,0]=4 920 B11R1.22 CNC(=O)c1ccc(cc1)N PI-38046 [1,1,0,0,0,0|1,0,0]=3 921 B11R1.22 COC(=O)C1=CC=C(C=C1)Br PI-11276 [1,1,0,0,0,0|1,0,0]=3 922 B11R1.22 COC(=O)C1=CC=C(C=C1)I PI-18765 [1,1,0,0,0,0|1,0,0]=3 923 B11R1.22 COC(=O)C1=CC=C(C=C1)N PI-12227 [1,1,0,0,0,0|1,0,0]=3 924 B11R1.22 COC(=O)C1=CN=C(C=C1)Br PI-48738 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.22 COC(=O)c1ccc(=O)oc1 PI-27764 [1,1,0,0,0,0|2,0,0]=4 926 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [1,1,0,0,0,0|1,0,0]=3 927 B11R1.22 COC(=O)c1ccc(O)cn1 PI-36864 [1,1,0,0,0,0|2,0,0]=4 928 B11R1.22 COC(=O)c1ccc(cn1)Br PI-36861 [1,1,0,0,0,0|2,0,0]=4 929 B11R1.22 COC(=O)c1ccc(nc1)C PI-10340 [1,1,0,0,0,0|1,0,0]=3 930 B11R1.22 COC(=O)c1cnc(C)cn1 PI-25000 [1,1,0,0,0,0|2,0,0]=4 931 B11R1.22 NC1=CC=C(C([O-4][K+2])=O)C=C1 PI-50445 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.22 NNC(=O)c1ccc(C)nc1 PI-24807 [1,1,0,0,0,0|2,0,0]=4 933 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [1,1,0,0,0,0|2,0,0]=4 934 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [1,1,0,0,0,0|1,0,1]=4 935 B11R1.22 O=C(OC)C1=CC=C(F)C=C1 PI-16967 [1,1,0,0,0,0|1,0,0]=3 936 B11R1.22 O=C(OC)C1=CN=C(N)C=C1 PI-35070 [1,1,0,0,0,0|2,0,0]=4 937 B11R1.37 C1=CC(=C(C=C1F)C#N)C=O PI-26905 [1,1,0,0,0,0|1,0,1]=4 938 B11R1.37 CC1=CC(=C(C=C1)OC)OC PI-23359 [1,1,0,0,0,0|1,0,0]=3 939 B11R1.37 COC1=C(C=C(C=C1)Br)CO PI-45731 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.37 COC1=C(C=C(C=C1)F)OC PI-23227 [1,1,0,0,0,0|2,0,0]=4 941 B11R1.37 COC1=C(C=C(C=C1)S)OC PI-21358 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.37 COc1cc(Br)ccc1OC PI-21655 [1,1,0,0,0,0|2,0,0]=4 943 B11R1.37 COc1cc(F)ccc1C=O PI-38318 [1,1,0,0,0,0|1,0,0]=3 944 B11R1.37 COc1cc(I)ccc1OC PI-23242 [1,1,0,0,0,0|2,0,0]=4 945 B11R1.37 COc1cc(N)ccc1OC PI-23186 [1,1,0,0,0,0|2,0,0]=4 946 B11R1.37 COc1cc(O)ccc1C=O PI-11990 [1,1,0,0,0,0|1,0,0]=3 947 B11R1.37 COc1cc(O)ccc1OC PI-28261 [1,1,0,0,0,0|2,0,0]=4 948 B11R1.81 CC1=C(C=CC(=C1)Br)N=C=O PI-14478 [1,1,0,0,0,0|1,0,1]=4 949 B11R1.81 CC1=CC(=C(C=C1)CCN)C PI-23898 [1,1,0,0,0,0|0,0,1]=3 950 B11R1.81 CC1=CC(=C(C=C1)N=C=S)C PI-23927 [1,1,0,0,0,0|0,1,1]=4 951 B11R1.81 CC1=CC(=C(C=C1)NC=O)C PI-23924 [1,1,0,0,0,0|0,0,0]=2 952 B11R1.277 C1=C(C(=CC(=C1F)Br)F)C=O PI-40952 [1,1,0,0,0,0|2,0,0]=4 953 B11R1.277 C1=C(C(=CC(=C1F)F)Cl)C=O PI-28936 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.277 C1=C(C(=CC(=C1F)F)F)C=O PI-28193 [1,1,0,0,0,0|2,0,0]=4 955 B11R1.277 CC1=CC(=C(C=C1C)C#C)C PI-19475 [1,1,0,0,0,0|0,0,2]=4 956 B11R1.277 CC1=CC(=C(C=C1F)Br)C=O PI-28930 [1,1,0,0,0,0|2,0,0]=4 957 B11R1.277 O=Cc1cc(Cl)c(F)cc1F PI-28938 [1,1,0,0,0,0|2,0,0]=4 958 B11R1.277 O=Cc1cc(F)c(Cl)cc1F PI-28937 [1,1,0,0,0,0|2,0,0]=4 959 B11R1.277 O=Cc1cc(F)c(cc1Br)C PI-28932 [1,1,0,0,0,0|1,0,0]=3 960 B11R1.277 O=Cc1cc(F)c(cc1Br)C PI-39310 [1,1,0,0,0,0|1,0,0]=3 961 B11R1.277 O=Cc1cc(O)c(O)cc1O PI-27519 [1,1,0,0,0,0|2,0,0]=4 962 B11R1.278 C1=CC(=C(C(=C1C=O)Cl)Cl)O PI-26196 [1,1,0,0,0,0|2,0,0]=4 963 B11R1.278 C1=CC(=C(C(=C1C=O)F)Cl)F PI-26094 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.278 C1=CC(=C(C(=C1C=O)F)F)F PI-28190 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.278 CC1=C(C(=C(C=C1)C=O)C)F PI-26591 [1,1,0,0,0,0|0,0,0]=2 966 B11R1.278 CC1=C(C=CC(=C1O)C=O)O PI-33979 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.278 O=Cc1ccc(C)c(F)c1F PI-27391 [1,1,0,0,0,0|1,0,0]=3 968 B11R1.278 O=Cc1ccc(O)c(O)c1O PI-16094 [1,1,0,0,0,0|2,0,0]=4 969 B11R1.279 C1=CC(=C(C=C1C#N)F)C=O PI-26050 [1,1,0,0,0,0|1,0,1]=4 970 B11R1.279 CC1=C(C=CC(=C1)C=O)OC PI-16554 [1,1,0,0,0,0|1,0,1]=4 971 B11R1.279 CC1=C(C=CC(=C1)OC)C#C PI-19876 [1,1,0,0,0,0|0,0,2]=4 972 B11R1.279 CC1=C(C=CC(=C1)OC)C=O PI-27668 [1,1,0,0,0,0|0,0,0]=2 973 B11R1.279 CC1=C(C=CC(=C1)OC)NN PI-29977 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.279 CC1=C(C=CC(=C1)OC)OC PI-33344 [1,1,0,0,0,0|1,0,0]=3 975 B11R1.279 COC1=C(C=C(C=C1)CBr)F PI-23718 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.279 COC1=C(C=C(C=C1)CN)Cl PI-30601 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.279 COC1=CC(=C(C=C1)C=O)F PI-28394 [1,1,0,0,0,0|1,0,0]=3 978 B11R1.279 COC1=CC(=C(C=C1)OC)Br PI-21654 [1,1,0,0,0,0|2,0,0]=4 979 B11R1.279 COc1ccc(C=O)c(O)c1 PI-31262 [1,1,0,0,0,0|1,0,0]=3 980 B11R1.279 COc1ccc(OC)c(F)c1 PI-21289 [1,1,0,0,0,0|2,0,0]=4 981 B11R1.279 COc1ccc(OC)c(O)c1 PI-32412 [1,1,0,0,0,0|2,0,0]=4 982 B11R1.279 COc1ccc(OC)c(S)c1 PI-21302 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.279 ClCc1ccc(OC)c(F)c1 PI-16369 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.279 NCc1ccc(c(c1)Cl)OC PI-37600 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.464 BrCc1c(C)cc(cc1C)C PI-32532 [1,1,0,0,0,0|1,0,1]=4 986 B11R1.464 C1=C(C=C(C(=C1Cl)C=O)Cl)Cl PI-43254 [1,1,0,0,0,0|2,0,0]=4 987 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C PI-28575 [1,1,0,0,0,0|0,0,0]=2 988 B11R1.464 CC1=CC(=C(C(=C1)C)CCl)C PI-11621 [1,1,0,0,0,0|1,0,1]=4 989 B11R1.464 CC1=CC(=C(C(=C1)C)CO)C PI-27578 [1,1,0,0,0,0|0,0,2]=4 990 B11R1.464 CC1=CC(=CC(=C1C=O)Br)F PI-28931 [1,1,0,0,0,0|1,0,0]=3 991 B11R1.464 CC1=CC(=CC(=C1OC)C)Br PI-21373 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.464 COc1c(C)cc(S)cc1C PI-23877 [1,1,0,0,0,0|2,0,0]=4 993 B11R1.464 NCc1c(C)cc(cc1C)C PI-38580 [1,1,0,0,0,0|1,0,1]=4 994 B11R1.464 NNc1c(C)cc(C)cc1C PI-29906 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.464 O=CC1=C(O)C=C(O)C=C1O PI-27625 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.464 O=Cc1c(C)cc(O)cc1C PI-10323 [1,1,0,0,0,0|1,0,0]=3 997 B11R1.464 O=Cc1c(Cl)cc(O)cc1Cl PI-33345 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.464 O=Cc1c(F)cc(F)cc1F PI-28665 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.464 O=Cc1c(O)cc(Cl)cc1Cl PI-27912 [1,1,0,0,0,0|2,0,0]=4 1000 B11R1.464 O=Cc1c(O)cc(cc1F)F PI-38190 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.53 BrCc1ccccc1[N+](=O)[O-] PI-12707 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.53 C#CC1=CC=CC=C1C(=O)O PI-46516 [1,1,0,0,0,0|1,0,1]=4 1003 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)N PI-30209 [1,1,0,0,0,0|1,0,1]=4 1004 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)O PI-10222 [1,1,0,0,0,0|1,0,1]=4 1005 B11R1.53 C1=CC=C(C(=C1)CCl)C(=O)Cl PI-46932 [1,1,0,0,0,0|1,0,0]=3 1006 B11R1.53 C1=CC=C(C(=C1)CN)[N+](=O)[O-] PI-26345 [1,1,0,0,0,0|2,0,0]=4 1007 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O PI-32625 [1,1,0,0,0,0|1,0,0]=3 1008 B11R1.53 CC(=O)C1=CC=CC=C1C#N PI-30977 [1,1,0,0,0,0|0,0,1]=3 1009 B11R1.53 CCC1=NC=CN=C1C(=O)C PI-11774 [1,1,0,0,0,0|2,0,0]=4 1010 B11R1.53 CNC1=CC=CC=C1C(=O)N PI-30904 [1,1,0,0,0,0|1,0,0]=3 1011 B11R1.53 CNC1=CC=CC=C1C(=O)O PI-50482 [1,1,0,0,0,0|1,0,0]=3 1012 B11R1.53 COC1=C(C=CN=C1)C(=O)O PI-28728 [1,1,0,0,0,0|2,0,0]=4 1013 B11R1.53 COC1=CC=CC=C1C(=O)N PI-30368 [1,1,0,0,0,0|1,0,0]=3 1014 B11R1.53 COc1ccccc1C(=O)C PI-12757 [1,1,0,0,0,0|0,0,0]=2 1015 B11R1.53 COc1ccccc1C(=O)Cl PI-11858 [1,1,0,0,0,0|1,0,0]=3 1016 B11R1.53 COc1ncccc1C(=O)O PI-16704 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.53 CSC1=C(C=CC=N1)C(=O)Cl PI-30995 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.53 CSC1=CC=CC=C1[N+](=O)[O-] PI-11877 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.53 NNc1ccccc1C(=O)O PI-18621 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [1,1,0,0,0,0|1,0,1]=4 1021 B11R1.53 OCc1ccccc1[N+](=O)[O-] PI-11876 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.87 CC1=CC=CC=C1S(=O)(=O)Cl PI-50626 [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 PI-42394 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)N PI-36015 [1,1,0,0,0,0|2,0,0]=4 1025 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl PI-11762 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)Cl)F PI-30935 [1,1,0,0,0,0|2,0,0]=4 1027 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)Cl PI-33780 [1,1,0,0,0,0|2,0,0]=4 1028 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)F PI-28735 [1,1,0,0,0,0|2,0,0]=4 1029 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F PI-16105 [1,1,0,0,0,0|2,0,0]=4 1030 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)N PI-10860 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)Cl)F PI-32221 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)F PI-16897 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)N PI-15919 [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)O PI-34340 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.156 C1=CC(=C(C(=C1)I)C(=O)O)F PI-34284 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.156 C1=CC(=C(C(=C1)O)C(=O)N)O PI-30464 [1,1,0,0,0,0|2,0,0]=4 1037 B11R1.156 CC(=O)c1c(Cl)cccc1Cl PI-20998 [1,1,0,0,0,0|1,0,0]=3 1038 B11R1.156 CC(=O)c1c(F)cccc1Cl PI-20054 [1,1,0,0,0,0|1,0,0]=3 1039 B11R1.156 CC(=O)c1c(F)cccc1F PI-31057 [1,1,0,0,0,0|1,0,0]=3 1040 B11R1.156 CC(=O)c1c(O)cccc1O PI-11029 [1,1,0,0,0,0|1,0,0]=3 1041 B11R1.156 CC1=C(C(=CC=C1)Br)[N+](=O)[O-] PI-22211 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)C PI-30312 [1,1,0,0,0,0|0,0,0]=2 1043 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)O PI-27811 [1,1,0,0,0,0|1,0,0]=3 1044 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)N PI-30032 [1,1,0,0,0,0|1,0,0]=3 1045 B11R1.156 CC1=C(C(=CC=C1)Cl)[N+](=O)[O-] PI-28920 [1,1,0,0,0,0|2,0,0]=4 1046 B11R1.156 CC1=C(C(=CC=C1)N)[N+](=O)[O-] PI-32623 [1,1,0,0,0,0|2,0,0]=4 1047 B11R1.156 ClC(=O)c1c(Cl)cccc1Br PI-20619 [1,1,0,0,0,0|2,0,0]=4 1048 B11R1.156 OC(=O)c1c(C)cccc1Cl PI-11820 [1,1,0,0,0,0|1,0,0]=3 1049 B11R1.156 OC(=O)c1c(C)cccc1F PI-10193 [1,1,0,0,0,0|1,0,0]=3 1050 B11R1.156 OC(=O)c1c(C)cccc1N PI-18553 [1,1,0,0,0,0|1,0,0]=3 1051 B11R1.156 OC(=O)c1c(Cl)cccc1Br PI-20612 [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.156 OC(=O)c1c(Cl)cccc1Cl PI-14298 [1,1,0,0,0,0|2,0,0]=4 1053 B11R1.156 OC(=O)c1c(F)cccc1Br PI-10187 [1,1,0,0,0,0|2,0,0]=4 1054 B11R1.156 OC(=O)c1c(F)cccc1F PI-31178 [1,1,0,0,0,0|2,0,0]=4 1055 B11R1.156 OC(=O)c1c(N)cccc1F PI-16068 [1,1,0,0,0,0|2,0,0]=4 1056 B11R1.156 OC(=O)c1c(N)cccc1I PI-36088 [1,1,0,0,0,0|2,0,0]=4 1057 B11R1.156 OC(=O)c1c(O)cccc1O PI-32768 [1,1,0,0,0,0|2,0,0]=4 1058 B11R1.156 [O-][N+](=O)c1c(C)cccc1F PI-38283 [1,1,0,0,0,0|2,0,0]=4 1059 B11R1.156 [O-][N+](=O)c1c(C)cccc1O PI-28579 [1,1,0,0,0,0|2,0,0]=4 1060 B11R1.159 C1=CC(=C(C(=C1)Br)N)C(=O)O PI-27326 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl PI-11727 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)Cl PI-20070 [1,1,0,0,0,0|2,0,0]=4 1063 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O PI-16070 [1,1,0,0,0,0|2,0,0]=4 1064 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O PI-18055 [1,1,0,0,0,0|2,0,0]=4 1065 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)Cl PI-21145 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)N PI-21125 [1,1,0,0,0,0|2,0,0]=4 1067 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)O PI-10290 [1,1,0,0,0,0|2,0,0]=4 1068 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O PI-10452 [1,1,0,0,0,0|2,0,0]=4 1069 B11R1.159 C1=CC(=C(C(=C1)N)F)C(=O)O PI-34457 [1,1,0,0,0,0|2,0,0]=4 1070 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)N PI-48121 [1,1,0,0,0,0|2,0,0]=4 1071 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O PI-39985 [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.159 C1=CC(=C(C(=C1)N)O)C(=O)O PI-14096 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O PI-16110 [1,1,0,0,0,0|2,0,0]=4 1074 B11R1.159 CC(=O)C1=C(C(=CC=C1)Cl)Cl PI-20997 [1,1,0,0,0,0|1,0,0]=3 1075 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O PI-10229 [1,1,0,0,0,0|1,0,0]=3 1076 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O PI-30124 [1,1,0,0,0,0|1,0,0]=3 1077 B11R1.159 CC(=O)c1cccc(Br)c1F PI-34270 [1,1,0,0,0,0|1,0,0]=3 1078 B11R1.159 CC(=O)c1cccc(c1F)F PI-21122 [1,1,0,0,0,0|1,0,0]=3 1079 B11R1.159 CC(=O)c1cccc(c1O)N PI-39350 [1,1,0,0,0,0|1,0,0]=3 1080 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O PI-41897 [1,1,0,0,0,0|1,0,0]=3 1081 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [1,1,0,0,0,0|1,0,0]=3 1082 B11R1.159 CC1=C(C(=CC=C1)C(=O)C)C PI-30311 [1,1,0,0,0,0|0,0,0]=2 1083 B11R1.159 CC1=C(C(=CC=C1)C(=O)Cl)C PI-21939 [1,1,0,0,0,0|1,0,0]=3 1084 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [1,1,0,0,0,0|1,0,0]=3 1085 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl PI-31520 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F PI-10191 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O PI-22125 [1,1,0,0,0,0|1,0,0]=3 1089 B11R1.159 CC1=C(C=CC=C1Br)[N+](=O)[O-] PI-26737 [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.159 CC1=C(C=CC=C1Cl)[N+](=O)[O-] PI-34382 [1,1,0,0,0,0|2,0,0]=4 1091 B11R1.159 CC1=C(C=CC=C1O)C(=O)O PI-11926 [1,1,0,0,0,0|1,0,0]=3 1092 B11R1.159 CC1=C(C=CC=C1O)[N+](=O)[O-] PI-31225 [1,1,0,0,0,0|2,0,0]=4 1093 B11R1.159 CC1=C(C=CC=C1[N+](=O)[O-])N PI-31240 [1,1,0,0,0,0|2,0,0]=4 1094 B11R1.159 ClC(=O)c1cccc(c1C)Br PI-39385 [1,1,0,0,0,0|1,0,0]=3 1095 B11R1.159 NC(=O)c1cccc(c1F)Cl PI-30045 [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.159 O=C(N)C1=CC=CC(C)=C1C PI-30715 [1,1,0,0,0,0|1,0,0]=3 1097 B11R1.159 O=C(O)C1=CC=CC(N)=C1C PI-16107 [1,1,0,0,0,0|1,0,0]=3 1098 B11R1.159 OC(=O)c1cccc(C)c1Br PI-22122 [1,1,0,0,0,0|2,0,0]=4 1099 B11R1.159 OC(=O)c1cccc(Cl)c1N PI-10209 [1,1,0,0,0,0|2,0,0]=4 1100 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [1,1,0,0,0,0|1,0,0]=3 1101 B11R1.159 OC(=O)c1cccc(I)c1N PI-35980 [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.159 OC(=O)c1cccc(O)c1N PI-30706 [1,1,0,0,0,0|2,0,0]=4 1103 B11R1.159 OC(=O)c1cccc(c1Br)F PI-10189 [1,1,0,0,0,0|2,0,0]=4 1104 B11R1.159 OC(=O)c1cccc(c1F)Br PI-10188 [1,1,0,0,0,0|2,0,0]=4 1105 B11R1.159 OC(=O)c1cccc(c1O)F PI-23590 [1,1,0,0,0,0|2,0,0]=4 1106 B11R1.159 [O-][N+](=O)c1cccc(F)c1C PI-32534 [1,1,0,0,0,0|2,0,0]=4 1107 B11R1.167 Brc1ccc(Cl)c(c1)C(=O)Cl PI-20620 [1,1,0,0,0,0|2,0,0]=4 1108 B11R1.167 Brc1ccc(I)c(c1)C(=O)O PI-21527 [1,1,0,0,0,0|2,0,0]=4 1109 B11R1.167 Brc1ccc(c(c1)C(=O)Cl)C PI-39383 [1,1,0,0,0,0|1,0,0]=3 1110 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br PI-27786 [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl PI-28277 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.167 Brc1ccc(c(c1)C(=O)O)F PI-16059 [1,1,0,0,0,0|2,0,0]=4 1113 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O PI-12030 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)S PI-44100 [1,1,0,0,0,0|2,0,0]=4 1116 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)Cl)F PI-28486 [1,1,0,0,0,0|2,0,0]=4 1117 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)Cl PI-30757 [1,1,0,0,0,0|2,0,0]=4 1118 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)N PI-30674 [1,1,0,0,0,0|2,0,0]=4 1119 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [1,1,0,0,0,0|2,0,0]=4 1120 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Br PI-28051 [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Cl PI-34138 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)Cl PI-28878 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)F PI-21126 [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)N PI-31251 [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [1,1,0,0,0,0|2,0,0]=4 1129 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [1,1,0,0,0,0|2,0,0]=4 1130 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl PI-44655 [1,1,0,0,0,0|2,0,0]=4 1131 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)F PI-18130 [1,1,0,0,0,0|2,0,0]=4 1132 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F PI-16066 [1,1,0,0,0,0|2,0,0]=4 1133 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [1,1,0,0,0,0|2,0,0]=4 1134 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F PI-40483 [1,1,0,0,0,0|1,0,0]=3 1135 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)N PI-50076 [1,1,0,0,0,0|1,0,0]=3 1136 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [1,1,0,0,0,0|1,0,0]=3 1137 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [1,1,0,0,0,0|1,0,0]=3 1138 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F PI-28256 [1,1,0,0,0,0|1,0,0]=3 1139 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [1,1,0,0,0,0|1,0,0]=3 1140 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)Cl PI-31000 [1,1,0,0,0,0|1,0,0]=3 1141 B11R1.167 CC(=O)C1=C(N=CC(=C1)Br)F PI-48367 [1,1,0,0,0,0|2,0,0]=4 1142 B11R1.167 CC(C1=CC(F)=CC=C1I)=O PI-41210 [1,1,0,0,0,0|1,0,0]=3 1143 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [1,1,0,0,0,0|1,0,0]=3 1144 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [1,1,0,0,0,0|1,0,0]=3 1145 B11R1.167 CC1=C(C=C(C=C1)Br)[N+](=O)[O-] PI-11598 [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl PI-23751 [1,1,0,0,0,0|1,0,0]=3 1147 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)N PI-23733 [1,1,0,0,0,0|1,0,0]=3 1148 B11R1.167 CC1=C(C=C(C=C1)F)[N+](=O)[O-] PI-16977 [1,1,0,0,0,0|2,0,0]=4 1149 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [1,1,0,0,0,0|1,0,0]=3 1150 B11R1.167 CC1=C(C=C(C=C1)I)[N+](=O)[O-] PI-26624 [1,1,0,0,0,0|2,0,0]=4 1151 B11R1.167 CC1=C(C=C(C=C1)O)[N+](=O)[O-] PI-10544 [1,1,0,0,0,0|2,0,0]=4 1152 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [1,1,0,0,0,0|2,0,0]=4 1153 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [1,1,0,0,0,0|0,0,0]=2 1154 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [1,1,0,0,0,0|1,0,0]=3 1155 B11R1.167 CC1=CC(=C(C=C1)C)[N+](=O)[O-] PI-13194 [1,1,0,0,0,0|2,0,0]=4 1156 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [1,1,0,0,0,0|1,0,0]=3 1158 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [1,1,0,0,0,0|2,0,0]=4 1159 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [1,1,0,0,0,0|2,0,0]=4 1160 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N PI-11516 [1,1,0,0,0,0|2,0,0]=4 1161 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [1,1,0,0,0,0|1,0,0]=3 1162 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PI-32434 [1,1,0,0,0,0|2,0,0]=4 1163 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [1,1,0,0,0,0|2,0,0]=4 1166 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [1,1,0,0,0,0|1,0,0]=3 1167 B11R1.167 Clc1ccc(c(c1)C(=O)Cl)Cl PI-12081 [1,1,0,0,0,0|2,0,0]=4 1168 B11R1.167 Clc1ccc(c(c1)[N+](=O)[O-])C PI-31778 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.167 Clc1ccc(c(n1)C(=O)O)C PI-39087 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.167 Fc1ccc(Cl)c(c1)C(=O)C PI-29442 [1,1,0,0,0,0|1,0,0]=3 1171 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [1,1,0,0,0,0|2,0,0]=4 1172 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [1,1,0,0,0,0|2,0,0]=4 1173 B11R1.167 Fc1ccc(c(c1)C(=O)Cl)F PI-28434 [1,1,0,0,0,0|2,0,0]=4 1174 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [1,1,0,0,0,0|1,0,0]=3 1175 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [1,1,0,0,0,0|2,0,0]=4 1176 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [1,1,0,0,0,0|2,0,0]=4 1177 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br PI-21526 [1,1,0,0,0,0|2,0,0]=4 1178 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [1,1,0,0,0,0|2,0,0]=4 1179 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [1,1,0,0,0,0|2,0,0]=4 1180 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br PI-33365 [1,1,0,0,0,0|2,0,0]=4 1181 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl PI-27966 [1,1,0,0,0,0|2,0,0]=4 1182 B11R1.167 O=C(N)C1=CC(Br)=CC=C1O PI-30813 [1,1,0,0,0,0|2,0,0]=4 1183 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [1,1,0,0,0,0|2,0,0]=4 1184 B11R1.167 O=C([O-])C1=CC(N)=CC=C1O PI-35671 [1,1,0,0,0,0|2,0,0]=4 1185 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O PI-12846 [1,1,0,0,0,0|2,0,0]=4 1186 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [1,1,0,0,0,0|1,0,0]=3 1187 B11R1.167 Oc1ccc(c(c1)C(=O)O)F PI-23587 [1,1,0,0,0,0|2,0,0]=4 1188 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [1,1,0,0,0,0|2,0,0]=4 1189 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [1,1,0,0,0,0|1,0,0]=3 1190 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [1,1,0,0,0,0|1,0,0]=3 1191 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [1,1,0,0,0,0|1,0,0]=3 1192 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [1,1,0,0,0,0|1,0,0]=3 1193 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [1,1,0,0,0,0|2,0,0]=4 1194 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [1,1,0,0,0,0|2,0,0]=4 1195 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [1,1,0,0,0,0|2,0,0]=4 1196 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [1,1,0,0,0,0|2,0,0]=4 1197 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [1,1,0,0,0,0|1,0,1]=4 1198 B11R1.222 CC1=C(C=CC=N1)C(=O)OC PI-13128 [1,1,0,0,0,0|1,0,0]=3 1199 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [1,1,0,0,0,0|0,0,0]=2 1200 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [1,1,0,0,0,0|1,0,0]=3 1201 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [1,1,0,0,0,0|1,0,0]=3 1202 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [1,1,0,0,0,0|1,0,0]=3 1203 B11R1.222 COC(=O)C1=C(C=CC=N1)Cl PI-34713 [1,1,0,0,0,0|2,0,0]=4 1204 B11R1.222 COC(=O)C1=C(C=CN=C1)N PI-33897 [1,1,0,0,0,0|2,0,0]=4 1205 B11R1.222 COC(=O)C1=C(C=NC=C1)O PI-34886 [1,1,0,0,0,0|2,0,0]=4 1206 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl PI-24397 [1,1,0,0,0,0|2,0,0]=4 1207 B11R1.222 COC(=O)C1=C(N=CC=C1)N PI-35287 [1,1,0,0,0,0|2,0,0]=4 1208 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [1,1,0,0,0,0|1,0,0]=3 1209 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [1,1,0,0,0,0|1,0,0]=3 1210 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [1,1,0,0,0,0|1,0,0]=3 1211 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [1,1,0,0,0,0|1,0,0]=3 1212 B11R1.222 COC(=O)c1ccccc1I PI-10942 [1,1,0,0,0,0|1,0,0]=3 1213 B11R1.222 COC(=O)c1ccncc1Br PI-38429 [1,1,0,0,0,0|2,0,0]=4 1214 B11R1.222 COC(=O)c1ccncc1Cl PI-36383 [1,1,0,0,0,0|2,0,0]=4 1215 B11R1.222 COC(=O)c1ccncc1N PI-35280 [1,1,0,0,0,0|2,0,0]=4 1216 B11R1.222 COC(=O)c1ncccc1N PI-39311 [1,1,0,0,0,0|2,0,0]=4 1217 B11R1.222 COC(=O)c1ncccc1O PI-31931 [1,1,0,0,0,0|2,0,0]=4 1218 B11R1.222 O=C(C1=CC=CNC1=O)OC PI-40201 [1,1,0,0,0,0|2,0,0]=4 1219 B11R1.222 O=C(C1=NC=CC=C1Br)OC PI-39663 [1,1,0,0,0,0|2,0,0]=4 1220 B11R1.222 ONC(=O)c1ccccc1O PI-31365 [1,1,0,0,0,0|2,0,0]=4 1221 B11R1.225 CC1=CC(=C(N1)C)C(=O)OC PI-30859 [0,1,0,0,1,0|1,0,0]=3 1222 B11R1.865 CC1=CSC(=C1Cl)C(=O)OC PI-26211 [0,1,0,0,1,0|2,0,0]=4 1223 B11R1.865 CC1=CSC(=C1N)C(=O)OC PI-15244 [0,1,0,0,1,0|2,0,0]=4 1224 B13R1.653 COc1ccc(CC(=O)O)c(Br)c1 PI-30839 [0,1,0,0,0,1|2,0,0]=4 1225 B13R1.876 CC(=O)NC1=CC(=C(C=C1Cl)Cl)O PI-44357 [0,1,0,0,0,1|2,0,0]=4 1226 B13R1.2679 C1=CC(=C(C=C1F)F)NC(=O)CCl PI-15658 [0,1,0,0,0,1|2,0,0]=4 1227 B13R1.2679 CC1=CC(=C(C=C1)NC(=S)NN)C PI-29838 [0,1,0,0,0,1|1,1,0]=4 1228 B13R1.2679 COC(=O)CC1=C(C=C(C=C1)F)Cl PI-50502 [0,1,0,0,0,1|2,0,0]=4 1229 B13R1.2679 COC(=O)Cc1ccc(cc1Cl)Cl PI-38657 [0,1,0,0,0,1|2,0,0]=4 1230 B13R1.2679 O=C(OC)CC1=CC=C(F)C=C1F PI-41915 [0,1,0,0,0,1|2,0,0]=4 1231 B13R1.2808 CC(=O)OC1=C(C=C(C=C1Br)Br)Br PI-26791 [0,1,0,0,0,1|2,0,0]=4 1232 B13R1.2808 CC1=CC(=C(C(=C1)C)CC(=O)O)C PI-27594 [0,1,0,0,0,1|1,0,0]=3 1233 B13R1.2808 CC1=CC(=C(C(=C1)C)NC(=S)N)C PI-30978 [0,1,0,0,0,1|1,1,0]=4 1234 B13R1.2808 CC1=CC(=CC(=C1NC(=O)C)Cl)Cl PI-21051 [0,1,0,0,0,1|1,0,0]=3 1235 B13R1.53 CC1=CC(=C(C=C1)S(=O)(=O)N)OC PI-19746 [0,2,0,0,0,0|2,0,0]=4 1236 B13R1.53 COc1cc(C)ccc1S(=O)(=O)Cl PI-19318 [0,2,0,0,0,0|2,0,0]=4 1237 B13R1.99 CC(=O)C1=C(C=C(C=C1)OC)OC PI-12349 [0,2,0,0,0,0|0,0,0]=2 1238 B13R1.99 COC1=CC(=C(C=C1)C(=O)O)OC PI-27975 [0,2,0,0,0,0|1,0,0]=3 1239 B13R1.99 COC1=CC(=C(C=C1)[N+](=O)[O-])OC PI-34325 [0,2,0,0,0,0|2,0,0]=4 1240 B13R1.99 COc1cc(OC)ccc1C(=S)N PI-23354 [0,2,0,0,0,0|1,1,0]=4 1241 B13R1.165 CC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-] PI-34252 [0,2,0,0,0,0|2,0,0]=4 1242 B13R1.2065 COC(=O)C1=C(C=C(C=C1)Br)CBr PI-34859 [0,2,0,0,0,0|1,0,0]=3 1243 B13R1.2065 COC(=O)c1ccc(C)cc1OC PI-24691 [0,2,0,0,0,0|0,0,0]=2 1244 B13R1.2065 COC(=O)c1ccc(O)cc1OC PI-36346 [0,2,0,0,0,0|1,0,0]=3 1245 B13R1.2065 COC1=C(C=CC(=C1)N)C(=O)OC PI-29424 [0,2,0,0,0,0|1,0,0]=3 1246 B13R1.2398 COc1cc(C)c(C)cc1C(=O)C PI-23873 [0,2,0,0,0,0|0,0,0]=2 1247 B13R1.2398 COc1cc(N)c(Cl)cc1C(=O)O PI-16435 [0,2,0,0,0,0|2,0,0]=4 1248 B13R1.2398 O=C(O)C1=CC(Br)=C(N)C=C1OC PI-39986 [0,2,0,0,0,0|2,0,0]=4 1249 B13R1.877 Cc1cc(C)c(cc1N)S(=O)(=O)C PI-23882 [0,2,0,0,0,0|1,0,0]=3 1250 B13R1.884 Cc1ccc(c(C)c1N)S(=O)(=O)C PI-23883 [0,2,0,0,0,0|1,0,0]=3 1251 B13R1.2809 CC1=CC(=C(C(=C1)C)S(=O)(=O)Cl)C PI-13015 [0,2,0,0,0,0|2,0,0]=4 1252 B13R1.2809 CC1=CC(=C(C(=C1)C)S(=O)(=O)N)C PI-33429 [0,2,0,0,0,0|2,0,0]=4 1253 B13R1.1807 BrCC(=O)c1cc(C)c(Cl)cc1F PI-20633 [0,2,0,0,0,0|2,0,0]=4 1254 B13R1.1807 COC(=O)c1cc(N)c(cc1C)C PI-36797 [0,2,0,0,0,0|0,0,0]=2 1255 B13R1.2811 CC(=O)C1=CC(=C(C(=C1F)F)F)F PI-30836 [0,2,0,0,0,0|2,0,0]=4 1256 B13R1.2812 CC1=CC(=C(C(=C1[N+](=O)[O-])C)Br)C PI-22649 [0,2,0,0,0,0|2,0,0]=4 1257 B13R1.2812 OC(=O)c1c(F)cc(F)c(F)c1C PI-28084 [0,2,0,0,0,0|2,0,0]=4 1258 B13R1.95 COc1ccc(C(=O)OC)c(O)c1 PI-10050 [0,2,0,0,0,0|1,0,0]=3 1259 B13R1.120 CC1=C(C=CC(=C1)C(=O)O)C(=O)O PI-48854 [0,2,0,0,0,0|1,0,1]=4 1260 B13R1.120 CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O PI-33354 [0,2,0,0,0,0|2,0,0]=4 1261 B13R1.120 CN(c1ccc(c(c1)C)P(=O)[O-])C PI-37588 [0,2,0,0,0,0|2,0,0]=4 1262 B13R1.120 O=[PH](C1=CC=C(N(C)C)C=C1C)[O-] PI-37589 [0,2,0,0,0,0|2,0,0]=4 1263 B13R1.428 CC(=O)C1=C(C=C(C=C1O)OC)O PI-29902 [0,2,0,0,0,0|1,0,0]=3 1264 B13R1.428 CC1=CC(=CC(=C1[N+](=O)[O-])C)OC PI-48858 [0,2,0,0,0,0|2,0,0]=4 1265 B13R1.3096 CC(=O)C1=C(C(=C(C=C1)OC)Cl)N PI-34740 [0,2,0,0,0,0|1,0,0]=3 1266 B13R1.3096 CC1=C(C=CC(=C1C)OC)[N+](=O)[O-] PI-29926 [0,2,0,0,0,0|2,0,0]=4 1267 B13R1.3096 COc1ccc(C(C)=O)c(O)c1O PI-29869 [0,2,0,0,0,0|1,0,0]=3 1268 B13R1.3096 NC1=C(C=CC(=C1C)OC)C(C)=O PI-34741 [0,2,0,0,0,0|1,0,0]=3 1269 B13R1.1808 CC1=C(C=CC(=C1O)O)C(=O)OC PI-50200 [0,2,0,0,0,0|1,0,0]=3 1270 B13R1.1808 CCC(=O)c1ccc(O)c(C)c1O PI-17229 [0,2,0,0,0,0|2,0,0]=4 1271 B13R1.4656 CC1=CC(=C(C(=C1)C)C(=O)OC)C PI-32269 [0,2,0,0,0,0|0,0,0]=2 1272 B13R1.4656 CC1=CC(=C(C(=C1)O)C(=O)OC)O PI-19187 [0,2,0,0,0,0|1,0,0]=3 1273 B13R1.4656 CCC(=O)C1=C(C=C(C=C1O)O)O PI-17213 [0,2,0,0,0,0|2,0,0]=4 1274 B13R1.4656 COC(=O)c1c(C)cc(=O)oc1C PI-15703 [0,2,0,0,0,0|2,0,0]=4 1275 B13R1.1511 C1=CC(=C(C=C1Cl)Cl)C(=O)CC#N PI-50637 [0,2,0,0,0,0|2,0,0]=4 1276 B13R1.1511 C1=CC(=C(C=C1F)F)C(=O)CC#N PI-34240 [0,2,0,0,0,0|2,0,0]=4 1277 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)Cl PI-40217 [0,2,0,0,0,0|2,0,0]=4 1278 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Br)F PI-50619 [0,2,0,0,0,0|2,0,0]=4 1279 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)C)C PI-19461 [0,2,0,0,0,0|0,0,0]=2 1280 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)F PI-50620 [0,2,0,0,0,0|2,0,0]=4 1281 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)F PI-29056 [0,2,0,0,0,0|2,0,0]=4 1282 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)O PI-50278 [0,2,0,0,0,0|2,0,0]=4 1283 B13R1.1511 CCOC(=O)c1c(C)cc(=O)oc1 PI-15704 [0,2,0,0,0,0|2,0,0]=4 1284 B11R2.36 Brc1ccc2c(c1)CCN2 PI-11096 [1,0,0,1,0,0|2,0,0]=4 1285 B11R2.36 C1CC2=C(C1)C=C(C=C2)N PI-17685 [1,0,0,1,0,0|1,0,1]=4 1286 B11R2.36 C1CNC2=C1C=C(C=C2)Cl PI-11098 [1,0,0,1,0,0|2,0,0]=4 1287 B11R2.36 C1CNC2=C1C=C(C=C2)O PI-36194 [1,0,0,1,0,0|2,0,0]=4 1288 B11R2.36 C1COC2=C1C=C(C=C2)Br PI-21650 [1,0,0,1,0,0|2,0,0]=4 1289 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [1,0,0,1,0,0|1,0,1]=4 1290 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [1,0,0,1,0,0|2,0,0]=4 1291 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [1,0,0,1,0,0|1,0,0]=3 1292 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [1,0,0,1,0,0|1,0,0]=3 1293 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [1,0,0,1,0,0|2,0,0]=4 1294 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [1,0,0,1,0,0|0,0,0]=2 1295 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [1,0,0,1,0,0|1,0,1]=4 1296 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [1,0,0,1,0,0|2,0,0]=4 1297 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,0,0,1,0,0|2,0,0]=4 1298 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [1,0,0,1,0,0|1,0,1]=4 1299 B11R2.1 NC1CCc2ccccc12 PI-24340 [1,0,0,1,0,0|1,0,1]=4 1300 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [1,0,0,1,0,0|1,0,1]=4 1301 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [1,0,0,1,0,0|1,0,0]=3 1302 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [1,0,0,1,0,0|1,0,0]=3 1303 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [1,0,0,1,0,0|2,0,0]=4 1304 B13R2.3683 C1CC2=C(CC1=O)C=CC(=C2)F PI-17758 [0,0,0,1,0,1|1,0,0]=3 1305 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 PI-36976 [0,0,0,1,0,1|0,0,2]=4 1306 B13R2.3683 Cc1ccc2nc(C)ccc2c1 PI-11770 [0,0,0,1,0,1|1,0,1]=4 1307 B13R2.3683 O=C1CCc2c(N1)ccc(c2)N PI-34829 [0,0,0,1,0,1|1,0,0]=3 1308 B13R2.3683 O=C1CCc2c(N1)ccc(c2)O PI-22828 [0,0,0,1,0,1|1,0,0]=3 1309 B13R2.3683 O=C1CCc2c(N1)ncc(c2)Br PI-39024 [0,0,0,1,0,1|2,0,0]=4 1310 B13R2.3683 O=C1CCc2cc(Br)ccc2C1 PI-17751 [0,0,0,1,0,1|1,0,0]=3 1311 B13R2.3683 O=C1COc2c(N1)ccc(c2)F PI-39020 [0,0,0,1,0,1|2,0,0]=4 1312 B13R2.5179 BrC1=CC=C2C(=C1)OCCC2=O PI-32698 [0,1,0,1,0,0|1,0,0]=3 1313 B13R2.5179 C1C2=C(C=CC(=C2)Br)C(=O)CO1 PI-32719 [0,1,0,1,0,0|1,0,0]=3 1314 B13R2.5179 C1CC2=C(C=CC(=C2)Br)C(=O)C1 PI-32678 [0,1,0,1,0,0|1,0,0]=3 1315 B13R2.5179 C1CC2=C(C=CC(=C2)Cl)C(=O)C1 PI-32677 [0,1,0,1,0,0|1,0,0]=3 1316 B13R2.5179 C1CC2=C(C=CC(=C2)I)C(=O)C1 PI-32679 [0,1,0,1,0,0|1,0,0]=3 1317 B13R2.5179 C1CC2=C(C=CC(=C2)N)C(=O)C1 PI-31792 [0,1,0,1,0,0|1,0,0]=3 1318 B13R2.5179 C1CNC(=O)C2=C1C=C(C=C2)F PI-48157 [0,1,0,1,0,0|1,0,0]=3 1319 B13R2.5179 C1COC2=C(C1=O)C=CC(=C2)F PI-32696 [0,1,0,1,0,0|1,0,0]=3 1320 B13R2.5179 CC1=CC2=CC=CC(=C2C=C1)C PI-25698 [0,1,0,1,0,0|1,0,1]=4 1321 B13R2.5179 Clc1ccc2c(c1)OCCC2=O PI-32697 [0,1,0,1,0,0|1,0,0]=3 1322 B13R2.5179 O=C1C=CNC2=C1C=CC(C)=C2 PI-46705 [0,1,0,1,0,0|0,0,2]=4 1323 B13R2.5179 O=C1CCCC2=C1C=CC(C)=C2 PI-40565 [0,1,0,1,0,0|0,0,0]=2 1324 B13R2.5179 O=C1CCCC2=C1C=CC(F)=C2 PI-32676 [0,1,0,1,0,0|1,0,0]=3 1325 B13R2.5179 O=C1NCCC2=C1C=CC(N)=C2 PI-38343 [0,1,0,1,0,0|1,0,0]=3 1326 B13R2.5179 Oc1ccc2c(c1)CCCC2=O PI-38351 [0,1,0,1,0,0|1,0,0]=3 1327 B13R2.5187 CC1=CC2=C(C=C1)C(=O)NC2=O PI-33555 [0,1,0,1,0,0|1,0,1]=4 1328 B13R2.5187 Cc1ccc2c(c1)C(=O)OC2=O PI-31763 [0,1,0,1,0,0|1,0,1]=4 1329 B13R2.11634 C1CC(=O)C2=CC(=C(C=C21)F)F PI-34592 [0,1,0,1,0,0|1,0,0]=3 1330 B13R2.2130 C1=CC(=CC2=C1C(CC2)=O)OC PI-11506 [0,1,0,1,0,0|0,0,0]=2 1331 B13R2.2130 C1C2=C(C=CC(=C2)C#N)C(=O)O1 PI-10182 [0,1,0,1,0,0|1,0,1]=4 1332 B13R2.2130 COc1ccc2c(c1)CCC2N PI-38852 [0,1,0,1,0,0|1,0,1]=4 1333 B13R2.5180 C1C(=O)C2=C(O1)C(=C(C=C2)O)O PI-26814 [0,1,0,1,0,0|2,0,0]=4 1334 B13R2.5180 C1CC(=O)C2=C1C(=C(C=C2)F)F PI-34591 [0,1,0,1,0,0|1,0,0]=3 1335 B13R2.5180 CC1=C(C=CC2=C1COC2=O)O PI-44891 [0,1,0,1,0,0|2,0,0]=4 1336 B13R2.5180 CC1=C(C=CC2=C1COC2=O)O PI-44916 [0,1,0,1,0,0|2,0,0]=4 1337 B13R2.5190 O=C1C(C)CC2=C1C=CC(Br)=C2 PI-40271 [0,1,0,1,0,0|1,0,0]=3 1338 B13R2.5190 O=C1C(C)CC2=C1C=CC(Cl)=C2 PI-40270 [0,1,0,1,0,0|1,0,0]=3 1339 B13R2.5190 O=C1C(C)CC2=C1C=CC(F)=C2 PI-40268 [0,1,0,1,0,0|1,0,0]=3 1340 B9R1.35 CC(=O)C1=CC(Br)=CS1 PI-29021 [1,0,0,0,1,0|2,0,0]=4 1341 B9R1.35 CC(=O)C1=CC=C(S1)Br PI-16279 [1,0,0,0,1,0|2,0,0]=4 1342 B9R1.35 CC(=O)C1=CC=C(S1)I PI-26551 [1,0,0,0,1,0|2,0,0]=4 1343 B9R1.35 CC(=O)c1c[nH]c(C)n1 PI-36304 [1,0,0,0,1,0|2,0,0]=4 1344 B9R1.35 CC(=O)c1cc(cs1)Cl PI-38201 [1,0,0,0,1,0|2,0,0]=4 1345 B9R1.35 CC1=CC=C(O1)C(=O)Cl PI-19122 [1,0,0,0,1,0|2,0,0]=4 1346 B9R1.35 CC1=CC=C(O1)C(=O)O PI-17727 [1,0,0,0,1,0|2,0,0]=4 1347 B9R1.35 CC1=CC=C(S1)C(=O)C PI-27153 [1,0,0,0,1,0|1,0,0]=3 1348 B9R1.35 CC1=CC=C(S1)C(=O)O PI-11163 [1,0,0,0,1,0|2,0,0]=4 1349 B9R1.35 CC1=CSC(=C1)C(=O)O PI-29136 [1,0,0,0,1,0|2,0,0]=4 1350 B9R1.35 OC(=O)c1c[nH]c(C)c1 PI-36150 [1,0,0,0,1,0|2,0,0]=4 1351 B9R1.22 CC1=C(SC(=N1)C)C=O PI-45390 [1,0,0,0,1,0|2,0,0]=4 1352 B9R1.22 CC1=CC(=C(S1)C)C=O PI-29416 [1,0,0,0,1,0|1,0,0]=3 1353 B9R1.22 CC1=NN(C(=C1)C=O)C PI-21982 [1,0,0,0,1,0|2,0,0]=4 1354 B9R1.22 O=Cc1[nH]c(cc1C)C PI-21987 [1,0,0,0,1,0|1,0,0]=3 1355 B9R1.22 O=Cc1cn(nc1C)C PI-38563 [1,0,0,0,1,0|2,0,0]=4 1356 B9R1.132 O=Cc1cnn(c1C)C PI-38562 [1,0,0,0,1,0|2,0,0]=4 1357 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [1,0,0,0,1,0|2,0,0]=4 1358 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [1,0,0,0,1,0|1,0,0]=3 1359 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [1,0,0,0,1,0|2,0,0]=4 1360 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [1,0,0,0,1,0|2,0,0]=4 1361 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [1,0,0,0,1,0|1,0,0]=3 1362 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [1,0,0,0,1,0|2,0,0]=4 1363 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [1,0,0,0,1,0|2,0,0]=4 1364 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [1,0,0,0,1,0|2,0,0]=4 1365 B11R1.20 C1=CC(=CC=C1CC(=O)Cl)F PI-28554 [1,0,0,0,0,1|2,0,0]=4 1366 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [1,0,0,0,0,1|2,0,0]=4 1367 B11R1.20 C1=CC(=CC=C1CC(=O)O)Br PI-12711 [1,0,0,0,0,1|2,0,0]=4 1368 B11R1.20 C1=CC(=CC=C1CC(=O)O)Cl PI-32618 [1,0,0,0,0,1|2,0,0]=4 1369 B11R1.20 C1=CC(=CC=C1CC(=O)O)N PI-25083 [1,0,0,0,0,1|2,0,0]=4 1370 B11R1.20 C1=CC(=CC=C1CC(C)=O)F PI-39618 [1,0,0,0,0,1|1,0,0]=3 1371 B11R1.20 C1=CC(=CC=C1OC(=O)Cl)Cl PI-18893 [1,0,0,0,0,1|2,0,0]=4 1372 B11R1.20 CC(=O)Cc1ccc(cc1)Br PI-38548 [1,0,0,0,0,1|1,0,0]=3 1373 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 PI-26690 [1,0,0,0,0,1|1,0,0]=3 1374 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br PI-24030 [1,0,0,0,0,1|1,0,0]=3 1375 B11R1.20 CC(=O)NC1=CC=C(C=C1)F PI-34152 [1,0,0,0,0,1|1,0,0]=3 1376 B11R1.20 CC(=O)NC1=CC=C(C=C1)S PI-26064 [1,0,0,0,0,1|1,0,0]=3 1377 B11R1.20 CC(=O)NC1=NC=C(C=C1)N PI-14240 [1,0,0,0,0,1|2,0,0]=4 1378 B11R1.20 CC(=O)OC1=CC=C(C=C1)F PI-16968 [1,0,0,0,0,1|1,0,0]=3 1379 B11R1.20 CC(=O)OC1=CC=C(C=C1)O PI-49042 [1,0,0,0,0,1|1,0,0]=3 1380 B11R1.20 CC(=O)Oc1ccc(cc1)Br PI-35155 [1,0,0,0,0,1|1,0,0]=3 1381 B11R1.20 CC(=O)SC1=CC=C(C=C1)I PI-35183 [1,0,0,0,0,1|1,0,0]=3 1382 B11R1.20 CC(OC1=CC=C(N)C=C1)=O PI-37062 [1,0,0,0,0,1|1,0,0]=3 1383 B11R1.20 CC1=CC=C(C=C1)CC(=O)O PI-30795 [1,0,0,0,0,1|1,0,0]=3 1384 B11R1.20 CC1=CC=C(C=C1)NC(=O)N PI-24527 [1,0,0,0,0,1|1,0,0]=3 1385 B11R1.20 CC1=CC=C(C=C1)NC(=S)N PI-24528 [1,0,0,0,0,1|1,1,0]=4 1386 B11R1.20 CC1=CN=C(C=C1)CC(=O)O PI-48028 [1,0,0,0,0,1|2,0,0]=4 1387 B11R1.20 ClC(=O)Cc1ccc(Br)cc1 PI-22240 [1,0,0,0,0,1|2,0,0]=4 1388 B11R1.20 ClC(=O)Cc1ccc(C)cc1 PI-24891 [1,0,0,0,0,1|1,0,0]=3 1389 B11R1.20 ClC(=S)Oc1ccc(C)cc1 PI-24674 [1,0,0,0,0,1|1,1,0]=4 1390 B11R1.20 OC(=O)Cc1ccc(F)cc1 PI-16969 [1,0,0,0,0,1|2,0,0]=4 1391 B11R1.20 OC(=O)Cc1ccc(I)cc1 PI-30230 [1,0,0,0,0,1|2,0,0]=4 1392 B11R1.20 OC(=O)Cc1ccc(O)cc1 PI-11992 [1,0,0,0,0,1|2,0,0]=4 1393 B11R1.20 OC(=O)Cc1ccc(S)cc1 PI-30560 [1,0,0,0,0,1|2,0,0]=4 1394 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [1,0,0,0,0,1|2,0,0]=4 1395 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [1,0,0,0,0,1|2,0,0]=4 1396 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [1,0,0,0,0,1|1,0,0]=3 1397 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [1,0,0,0,0,1|1,0,0]=3 1398 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [1,0,0,0,0,1|1,0,0]=3 1399 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [1,0,0,0,0,1|1,0,0]=3 1400 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [1,0,0,0,0,1|1,0,0]=3 1401 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [1,0,0,0,0,1|1,0,0]=3 1402 B11R1.86 CC1=CC=CC=C1N=C(N)N PI-47265 [1,0,0,0,0,1|2,0,0]=4 1403 B11R1.86 CC1=CC=CC=C1NC(=S)N PI-24519 [1,0,0,0,0,1|1,1,0]=4 1404 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [1,0,0,0,0,1|1,0,0]=3 1405 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [1,0,0,0,0,1|1,0,0]=3 1406 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [1,0,0,0,0,1|2,0,0]=4 1407 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [1,0,0,0,0,1|2,0,0]=4 1408 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [1,0,0,0,0,1|2,0,0]=4 1409 B11R1.74 CC(=O)C1=CC(=CC(=C1)Br)Br PI-40368 [0,0,0,0,1,1|2,0,0]=4 1410 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl PI-29140 [0,0,0,0,1,1|2,0,0]=4 1411 B11R1.74 CC(C1=CC(F)=CC(F)=C1)=O PI-16883 [0,0,0,0,1,1|2,0,0]=4 1412 B11R1.74 CC(C1=CC(O)=CC(O)=C1)=O PI-11032 [0,0,0,0,1,1|2,0,0]=4 1413 B11R1.74 CC1=CC(=CC(=C1)N(C)C)C PI-27629 [0,0,0,0,1,1|2,0,0]=4 1414 B11R1.74 Cc1cc(C)cc(c1)C(=O)C PI-30691 [0,0,0,0,1,1|0,0,0]=2 1415 B11R1.74 Cc1cc(C)cc(c1)C(=O)O PI-31207 [0,0,0,0,1,1|1,0,0]=3 1416 B11R1.74 Cc1cc(C)cc(c1)[N+](=O)[O-] PI-34009 [0,0,0,0,1,1|2,0,0]=4 1417 B11R1.74 Cc1cc(F)cc(c1)C(=O)O PI-34459 [0,0,0,0,1,1|2,0,0]=4 1418 B11R1.74 Cc1cc(O)cc(c1)C(=O)O PI-39027 [0,0,0,0,1,1|2,0,0]=4