0 B12R1.56 B(C1=CC(=C(C=C1)C)OC)(O)O PI-49932 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.56 B(C1=CC(=C(C=C1)Cl)OC)(O)O PI-49926 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.56 B(C1=CC(=C(C=C1)F)OC)(O)O PI-49958 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.56 C1=CC(=C(C=C1[N+](=O)[O-])CBr)O PI-26902 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.56 C1=CC(=C(C=C1[N+](=O)[O-])CCl)O PI-29444 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.56 C1=CC(=C(C=C1[N+](=O)[O-])CO)O PI-26608 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC PI-30823 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CCl PI-16156 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C#C PI-44792 [0,0,0,0,0,0|2,0,1]=3 9 B12R1.56 CC1=C(C=C(C=C1)C(=O)O)C=O PI-43250 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.56 CC1=C(C=C(C=C1)[N+](=O)[O-])OC PI-12157 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F PI-34251 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])Cl PI-20188 [0,0,0,0,0,0|2,0,1]=3 13 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])F PI-34250 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])I PI-29688 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O PI-27481 [0,0,0,0,0,0|1,0,1]=2 16 B12R1.56 COc1cc(ccc1Br)C(=O)O PI-35857 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] PI-29916 [0,0,0,0,0,0|2,0,1]=3 18 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [0,0,0,0,0,0|1,0,0]=1 19 B12R1.56 COc1cc(ccc1F)B(O)O PI-25597 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.56 COc1cc(ccc1N)C(=O)O PI-30375 [0,0,0,0,0,0|1,0,0]=1 21 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] PI-32439 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.56 COc1cc(ccc1O)C(=O)O PI-31895 [0,0,0,0,0,0|0,0,0]=0 23 B12R1.56 O=C(C1=CC=C(O)C(OC)=C1)C PI-46830 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 PI-10102 [0,0,0,0,0,0|1,0,0]=1 25 B12R1.56 O=Cc1cc(ccc1O)C(=O)O PI-38270 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.56 O=Cc1cc(ccc1O)[N+](=O)[O-] PI-10093 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.21 B(C1=CC(=C(C=C1)C)C)(O)O PI-25668 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.21 B(C1=CC(=C(C=C1)Cl)C)(O)O PI-20170 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.21 B(C1=CC(=C(C=C1)O)C)(O)O PI-49991 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.21 B(C1=CC(=C(C=C1)O)Cl)(O)O PI-49917 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.21 B(C1=CC(=C(C=C1)O)F)(O)O PI-49906 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.21 C1=C(C(=CC=C1C(=O)O)C)N PI-31125 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.21 C1=C(C(=O)NC=C1C(=O)O)Cl PI-16724 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.21 C1=C(C=NC(=C1Br)F)C(=O)O PI-36514 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.21 C1=C(C=NC(=C1Cl)Cl)C(=O)O PI-16262 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Br)F PI-14433 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl PI-34219 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F PI-34234 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)F)F PI-32220 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl PI-30402 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.21 C1=CC(=C(C=C1C(=O)N)N)Cl PI-24201 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.21 C1=CC(=C(C=C1C(=O)N)O)O PI-11250 [1,0,0,0,0,0|1,0,0]=2 43 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O PI-10053 [1,0,0,0,0,0|1,0,0]=2 44 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F PI-16072 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N PI-32812 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O PI-19535 [1,0,0,0,0,0|1,0,0]=2 47 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br PI-16062 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N PI-30637 [1,0,0,0,0,0|2,0,0]=3 49 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O PI-50668 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F PI-16994 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F PI-23589 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I PI-33357 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N PI-30353 [1,0,0,0,0,0|1,0,0]=2 54 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])I)O PI-29966 [1,0,0,0,0,0|2,0,1]=4 55 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])O)Cl PI-28691 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.21 CC(=O)C1=CC(=C(C=C1)Br)F PI-43296 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl PI-29417 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F PI-30165 [1,0,0,0,0,0|3,0,0]=4 59 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br PI-12717 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F PI-28452 [1,0,0,0,0,0|3,0,0]=4 61 B11R1.21 CC(=O)c1ccc(Cl)c(C)c1 PI-29523 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.21 CC(=O)c1ccc(F)c(Cl)c1 PI-16917 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.21 CC(=O)c1ccc(c(c1)C)O PI-29955 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O PI-30431 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.21 CC(=O)c1ccc(c(c1)F)O PI-23584 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [1,0,0,0,0,0|1,0,0]=2 67 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)Br PI-30577 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)O PI-10230 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)C PI-23822 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F PI-23749 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C PI-30714 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F PI-23731 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)N PI-30259 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C PI-27799 [1,0,0,0,0,0|1,0,0]=2 75 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F PI-31159 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I PI-31314 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O PI-10215 [1,0,0,0,0,0|1,0,0]=2 78 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])O PI-28629 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)F PI-30538 [1,0,0,0,0,0|2,0,0]=3 80 B11R1.21 CC1=C(C=CC(=C1)C(=O)Cl)F PI-23750 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)Br PI-30206 [1,0,0,0,0,0|2,0,0]=3 82 B11R1.21 CC1=C(C=CC(=C1)C(=O)N)N PI-35808 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br PI-22129 [1,0,0,0,0,0|1,0,0]=2 84 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl PI-31518 [1,0,0,0,0,0|1,0,0]=2 85 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F PI-23746 [1,0,0,0,0,0|1,0,0]=2 86 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O PI-20807 [1,0,0,0,0,0|0,0,0]=1 87 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])Br PI-22210 [1,0,0,0,0,0|2,0,1]=4 88 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])F PI-31201 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])I PI-26715 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.21 CC1=C(C=CC(=C1)[N+](=O)[O-])O PI-42105 [1,0,0,0,0,0|1,0,1]=3 91 B11R1.21 CC1=C(C=CC(=N1)C(=O)O)F PI-34875 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.21 ClC(=O)c1ccc(C)c(Br)c1 PI-22136 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.21 O=C(N)C1=CC=C(F)C(C)=C1 PI-23732 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.21 O=C(N)C1=CC=C(F)C(Cl)=C1 PI-20058 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.21 O=C(N)C1=CC=C(F)C(F)=C1 PI-30958 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.21 OB(c1ccc(c(c1)C)F)O PI-16844 [1,0,0,0,0,0|2,0,1]=4 97 B11R1.21 OC(=O)C1=CC(I)=C(Br)C=C1 PI-39647 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.21 OC(=O)c1ccc(C)c(Cl)c1 PI-30672 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.21 OC(=O)c1ccc(Cl)c(F)c1 PI-16071 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.21 OC(=O)c1ccc(N)c(C)c1 PI-27395 [1,0,0,0,0,0|1,0,0]=2 101 B11R1.21 OC(=O)c1ccc(O)c(N)c1 PI-10926 [1,0,0,0,0,0|1,0,0]=2 102 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [1,0,0,0,0,0|0,0,0]=1 103 B11R1.21 OC(=O)c1ccc(c(c1)Br)C PI-30921 [1,0,0,0,0,0|2,0,0]=3 104 B11R1.21 OC(=O)c1ccc(c(c1)Br)Cl PI-14390 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.21 OC(=O)c1ccc(c(c1)Br)F PI-16063 [1,0,0,0,0,0|2,0,0]=3 106 B11R1.21 OC(=O)c1ccc(c(c1)F)F PI-10196 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.21 OC(=O)c1ccc(c(c1)F)O PI-23588 [1,0,0,0,0,0|1,0,0]=2 108 B11R1.21 OC(=O)c1ccc(c(c1)N)Cl PI-10214 [1,0,0,0,0,0|2,0,0]=3 109 B11R1.21 OC(=O)c1ccc(c(c1)N)N PI-27800 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.21 OC(=O)c1ccc(c(c1)O)Cl PI-19468 [1,0,0,0,0,0|1,0,0]=2 111 B11R1.21 OC(=O)c1ccc(c(c1)S)N PI-27183 [1,0,0,0,0,0|1,1,0]=3 112 B11R1.21 OC(=O)c1cnc(c(c1)Br)C PI-39237 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.21 OC(=O)c1cnc(c(c1)Br)Cl PI-34711 [1,0,0,0,0,0|3,0,0]=4 114 B11R1.21 OC(=O)c1cnc(c(c1)Br)O PI-35284 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.21 OC(=O)c1cnc(c(c1)I)O PI-39189 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.21 [O-][N+](=O)c1ccc(Cl)c(C)c1 PI-32802 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.21 [O-][N+](=O)c1ccc(O)c(Br)c1 PI-29720 [1,0,0,0,0,0|2,0,1]=4 118 B11R1.21 [O-][N+](=O)c1ccc(O)c(F)c1 PI-28507 [1,0,0,0,0,0|2,0,1]=4 119 B11R1.21 [O-][N+](=O)c1ccc(c(c1)Cl)O PI-29782 [1,0,0,0,0,0|2,0,1]=4 120 B11R1.21 [O-][N+](=O)c1ccc(c(c1)N)O PI-26997 [1,0,0,0,0,0|2,0,1]=4 121 B11R1.21 [O-][N+](=O)c1ccc(c(c1)O)Br PI-38213 [1,0,0,0,0,0|2,0,1]=4 122 B11R1.21 [O-][N+](=O)c1ccc(c(c1)O)F PI-34727 [1,0,0,0,0,0|2,0,1]=4 123 B11R1.266 B(C1=CC(=CC=C1)OC)(O)O PI-16835 [1,0,0,0,0,0|1,0,1]=3 124 B11R1.266 B(C1=CC(=CC=C1)SC)(O)O PI-11569 [1,0,0,0,0,0|1,1,1]=4 125 B11R1.266 B(C1=CC(=NC=C1)OC)(O)O PI-40454 [1,0,0,0,0,0|2,0,1]=4 126 B11R1.266 B(C1=NC(=CC=C1)OC)(O)O PI-25501 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.266 C1=CC(=CC(=C1)C(=O)Cl)CCl PI-35901 [1,0,0,0,0,0|3,0,0]=4 128 B11R1.266 C1=CC(=CC(=C1)C(=O)O)C#N PI-16124 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CCl PI-27471 [1,0,0,0,0,0|2,0,0]=3 130 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-30963 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.266 C1=CC(=CC(=C1)C(=O)O)CN PI-33743 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.266 CC(=O)C1=CC(=CC=C1)OC PI-44646 [1,0,0,0,0,0|1,0,0]=2 133 B11R1.266 CC(=O)C1=CC=CC(=C1)CCl PI-16155 [1,0,0,0,0,0|3,0,0]=4 134 B11R1.266 CCC1=CC(=CC=C1)C(=O)C PI-22041 [1,0,0,0,0,0|2,0,0]=3 135 B11R1.266 CN(C)C1=CC(=CC=C1)OC PI-48688 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.266 COC1=CC(=NC=C1)C(=O)N PI-26971 [1,0,0,0,0,0|2,0,0]=3 137 B11R1.266 COC1=CC(=NC=C1)C(=O)O PI-26085 [1,0,0,0,0,0|1,0,0]=2 138 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl PI-50560 [1,0,0,0,0,0|1,0,0]=2 139 B11R1.266 COC1=CC=CC(=C1)C(=O)O PI-33400 [1,0,0,0,0,0|0,0,0]=1 140 B11R1.266 COC1=CC=CC(=N1)C(=O)O PI-28329 [1,0,0,0,0,0|1,0,0]=2 141 B11R1.266 COC1=CN=CC(=C1)C(=O)O PI-39997 [1,0,0,0,0,0|1,0,0]=2 142 B11R1.266 COC1=NC=CC(=C1)C(=O)O PI-28037 [1,0,0,0,0,0|1,0,0]=2 143 B11R1.266 COc1cccc(c1)C(=O)N PI-30738 [1,0,0,0,0,0|1,0,0]=2 144 B11R1.266 COc1cccc(c1)[N+](=O)[O-] PI-29700 [1,0,0,0,0,0|1,0,1]=3 145 B11R1.266 COc1ccnc(c1)C(=O)O PI-26532 [1,0,0,0,0,0|1,0,0]=2 146 B11R1.266 CSc1nccc(n1)C(=O)O PI-36376 [1,0,0,0,0,0|2,1,0]=4 147 B11R1.266 N#Cc1cccc(c1)C(=O)C PI-29763 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.266 NCc1cccc(c1)C(=O)N PI-38245 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.266 O=Cc1cccc(c1)C(=O)O PI-31248 [1,0,0,0,0,0|2,0,0]=3 150 B11R1.266 OCC1=CC=CC(=C1)C(O)=O PI-42488 [1,0,0,0,0,0|2,0,0]=3 151 B11R1.280 C1=CC(=C(C=C1C=O)C#N)F PI-27344 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.280 C1=CC(=C(C=C1C=O)C=O)O PI-27490 [1,0,0,0,0,0|2,0,0]=3 153 B11R1.280 C1=CC(=CC(=C1C)OC)C=O PI-10103 [1,0,0,0,0,0|1,0,0]=2 154 B11R1.280 CCC1=CC(=C(C=C1)Br)OC PI-48437 [1,0,0,0,0,0|2,0,1]=4 155 B11R1.280 CCC1=CC(=C(C=C1)O)OC PI-12830 [1,0,0,0,0,0|1,0,1]=3 156 B11R1.280 COC1=C(C=CC(=C1)C#N)F PI-10706 [1,0,0,0,0,0|2,0,1]=4 157 B11R1.280 COC1=C(C=CC(=C1)NN)F PI-50686 [1,0,0,0,0,0|3,0,0]=4 158 B11R1.280 COC1=CC(=C(C=C1)I)OC PI-23241 [1,0,0,0,0,0|3,0,0]=4 159 B11R1.280 COc1cc(C#N)ccc1O PI-29016 [1,0,0,0,0,0|1,0,1]=3 160 B11R1.280 COc1cc(C=O)ccc1F PI-28101 [1,0,0,0,0,0|1,0,0]=2 161 B11R1.280 COc1cc(C=O)ccc1O PI-34109 [1,0,0,0,0,0|0,0,0]=1 162 B11R1.280 COc1ccc(F)c(OC)c1 PI-23228 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.280 COc1ccc(S)c(OC)c1 PI-23358 [1,0,0,0,0,0|2,1,0]=4 164 B11R1.280 COc1ccc(c(c1)OC)Br PI-21375 [1,0,0,0,0,0|3,0,0]=4 165 B13R1.13 B(C1=C(C=CC(=C1)C(=O)O)F)(O)O PI-49927 [0,1,0,0,0,0|3,0,0]=4 166 B13R1.13 C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Br PI-22195 [0,1,0,0,0,0|3,0,0]=4 167 B13R1.13 C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl PI-33980 [0,1,0,0,0,0|3,0,0]=4 168 B13R1.13 C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N PI-11957 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.13 CC(=O)C1=CC(=C(C=C1)O)C(=O)N PI-31184 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.13 CC(=O)c1ccc(O)c(c1)[N+]([O-])=O PI-10152 [0,1,0,0,0,0|3,0,0]=4 171 B13R1.13 CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-] PI-31517 [0,1,0,0,0,0|3,0,0]=4 172 B13R1.13 IC1=C(C=C(C(=O)O)C=C1)[N+](=O)[O-] PI-40311 [0,1,0,0,0,0|3,0,0]=4 173 B13R1.13 O=C(O)C1=CC(C(C)=O)=CC=C1O PI-30112 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.13 OC(=O)c1ccc(Br)c(c1)C(=O)O PI-21538 [0,1,0,0,0,0|3,0,0]=4 175 B13R1.13 OC(=O)c1ccc(O)c(c1)C(=O)O PI-33364 [0,1,0,0,0,0|2,0,0]=3 176 B13R1.13 OC(=O)c1ccc(c(c1)C(=O)O)N PI-38693 [0,1,0,0,0,0|3,0,0]=4 177 B13R1.13 [O-][N+](=O)c1cc(ccc1F)C(=O)O PI-10186 [0,1,0,0,0,0|3,0,0]=4 178 B13R1.13 [O-][N+](=O)c1ccc(O)c(c1)C(=O)C PI-18192 [0,1,0,0,0,0|2,0,1]=4 179 B13R1.49 CC1=C(C=C(C=C1)C(=O)OC)OC PI-49384 [0,1,0,0,0,0|1,0,0]=2 180 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 PI-12814 [0,1,0,0,0,0|1,0,0]=2 181 B13R1.49 COC(=O)c1ccc(O)c(OC)c1 PI-18519 [0,1,0,0,0,0|0,0,0]=1 182 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br PI-35858 [0,1,0,0,0,0|1,0,0]=2 183 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl PI-39046 [0,1,0,0,0,0|1,0,0]=2 184 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O PI-50379 [0,1,0,0,0,0|1,0,0]=2 185 B13R1.49 COC1=CC(=NC=C1Br)C(=O)OC PI-48353 [0,1,0,0,0,0|2,0,0]=3 186 B13R1.354 CC(=O)C1=CC(=C(C=C1)O)CC=C PI-29065 [0,1,0,0,0,0|2,0,1]=4 187 B13R1.3091 B(C1=CC(=C(C=C1)OC)OC)(O)O PI-11578 [0,1,0,0,0,0|1,0,1]=3 188 B13R1.3091 CC(=O)C1=CC(=C(C=C1)OC)CCl PI-20161 [0,1,0,0,0,0|3,0,0]=4 189 B13R1.3091 CC(=O)C1=CC(=C(C=C1)OC)OC PI-12802 [0,1,0,0,0,0|1,0,0]=2 190 B13R1.3091 COC1=C(C=C(C=C1)C(=S)N)OC PI-23356 [0,1,0,0,0,0|1,1,0]=3 191 B13R1.3091 COC1=C(C=CC(=C1)C(=O)O)CBr PI-36155 [0,1,0,0,0,0|1,0,0]=2 192 B13R1.3091 COC1=C(C=CC(=C1)[N+](=O)[O-])C=O PI-27151 [0,1,0,0,0,0|1,0,2]=4 193 B13R1.3091 COC1=CC=C([N+]([O-])=O)C=C1OC PI-34326 [0,1,0,0,0,0|1,0,1]=3 194 B13R1.3091 COc1ccc(cc1OC)C(Cl)=O PI-23196 [0,1,0,0,0,0|1,0,0]=2 195 B13R1.3230 B(C1=C(C(=C(C=C1)Cl)OC)F)(O)O PI-49204 [0,1,0,0,0,0|2,0,1]=4 196 B13R1.3230 COC1=C(C=CC(=C1F)C(=O)O)F PI-13361 [0,1,0,0,0,0|1,0,0]=2 197 B13R1.3230 COc1c(F)ccc(C(=O)O)c1N PI-35462 [0,1,0,0,0,0|1,0,0]=2 198 B13R2.430 B(C1=CC2=C(C=C1)OCO2)(O)O PI-25980 [0,0,0,1,0,0|1,0,1]=3 199 B13R2.430 C1=CC2=C(C=CN2)C=C1C(=O)O PI-22773 [0,0,0,1,0,0|2,0,1]=4 200 B13R2.430 C1=CC2=C(C=CO2)C=C1C(=O)O PI-17138 [0,0,0,1,0,0|1,0,1]=3 201 B13R2.430 C1=CC2=NNN=C2C=C1C(=O)O PI-12140 [0,0,0,1,0,0|3,0,0]=4 202 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)Cl PI-21252 [0,0,0,1,0,0|2,0,0]=3 203 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)N PI-44108 [0,0,0,1,0,0|2,0,0]=3 204 B13R2.430 C1COC2=C1C=C(C=C2)C(=O)O PI-21254 [0,0,0,1,0,0|1,0,0]=2 205 B13R2.430 C1COC2=C1C=C(C=C2)C(=S)N PI-21255 [0,0,0,1,0,0|2,1,0]=4 206 B13R2.430 C1COC2=C1C=CC(=C2)C(=O)O PI-49010 [0,0,0,1,0,0|1,0,0]=2 207 B13R2.430 C1OC2=C(O1)C=C(C=C2)C(=O)O PI-12887 [0,0,0,1,0,0|0,0,0]=1 208 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 PI-26974 [0,0,0,1,0,0|2,0,0]=3 209 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 PI-29473 [0,0,0,1,0,0|1,0,0]=2 210 B13R2.430 OB(c1ccc2c(c1)CCO2)O PI-21251 [0,0,0,1,0,0|2,0,1]=4 211 B13R2.430 OC(=O)C1=CC2=C(C=CO2)C=C1 PI-41286 [0,0,0,1,0,0|1,0,1]=3 212 B13R2.430 OC(=O)c1ccc2c(c1)[nH]cc2 PI-22785 [0,0,0,1,0,0|2,0,1]=4 213 B13R2.430 OC(=O)c1ccc2c(c1)nc[nH]2 PI-36815 [0,0,0,1,0,0|2,0,1]=4 214 B13R2.430 OC(=O)c1ccc2c(c1)non2 PI-14161 [0,0,0,1,0,0|3,0,0]=4 215 B13R2.430 OC(=O)c1ccc2c(c1)scn2 PI-14813 [0,0,0,1,0,0|1,1,1]=4 216 B13R2.430 OC(=O)c1ccc2ncoc2c1 PI-36024 [0,0,0,1,0,0|1,0,1]=3 217 B11R1.64 COC1=C(SC=C1C(=O)Cl)Cl PI-20147 [0,0,0,0,1,0|3,0,0]=4 218 B11R1.64 COC1=C(SC=C1C(=O)O)Br PI-29176 [0,0,0,0,1,0|2,0,0]=3 219 B11R1.64 COC1=C(SC=C1C(=O)O)Cl PI-29118 [0,0,0,0,1,0|2,0,0]=3 220 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O PI-28359 [0,0,0,0,0,1|0,0,0]=1 221 B13R1.52 COc1cc(ccc1O)CC(=O)C PI-31129 [0,0,0,0,0,1|1,0,0]=2 222 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [2,0,0,0,0,0|1,0,1]=4 223 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [2,0,0,0,0,0|1,0,0]=3 224 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [2,0,0,0,0,0|1,0,0]=3 229 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [2,0,0,0,0,0|1,0,0]=3 230 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [2,0,0,0,0,0|0,1,0]=3 231 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [2,0,0,0,0,0|1,0,1]=4 232 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [2,0,0,0,0,0|2,0,0]=4 233 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [2,0,0,0,0,0|2,0,0]=4 234 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [2,0,0,0,0,0|2,0,0]=4 235 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [2,0,0,0,0,0|1,0,1]=4 237 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [2,0,0,0,0,0|1,0,1]=4 238 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [2,0,0,0,0,0|1,0,1]=4 239 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [2,0,0,0,0,0|2,0,0]=4 241 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [2,0,0,0,0,0|1,0,0]=3 243 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [2,0,0,0,0,0|2,0,0]=4 244 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.13 C[C@H](C1=CC=C(C=C1)O)O PI-49819 [2,0,0,0,0,0|1,0,1]=4 246 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [2,0,0,0,0,0|2,0,0]=4 247 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [2,0,0,0,0,0|2,0,0]=4 248 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [2,0,0,0,0,0|2,0,0]=4 249 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [2,0,0,0,0,0|2,0,0]=4 251 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [2,0,0,0,0,0|1,0,0]=3 252 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [2,0,0,0,0,0|2,0,0]=4 253 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [2,0,0,0,0,0|1,1,0]=4 254 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [2,0,0,0,0,0|2,0,0]=4 255 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [2,0,0,0,0,0|2,0,0]=4 256 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [2,0,0,0,0,0|2,0,0]=4 257 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [2,0,0,0,0,0|2,0,0]=4 258 B10R1.13 Oc1ccc(nn1)C(=O)O PI-14659 [2,0,0,0,0,0|2,0,0]=4 259 B10R1.113 B(C1=CC(=CC=C1)C)(O)O PI-11574 [2,0,0,0,0,0|1,0,1]=4 260 B10R1.113 B(C1=CC(=CC=C1)O)(O)O PI-25936 [2,0,0,0,0,0|1,0,1]=4 261 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [2,0,0,0,0,0|2,0,0]=4 262 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [2,0,0,0,0,0|1,0,0]=3 263 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [2,0,0,0,0,0|2,0,0]=4 264 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [2,0,0,0,0,0|2,0,0]=4 265 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [2,0,0,0,0,0|2,0,0]=4 266 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [2,0,0,0,0,0|2,0,0]=4 268 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [2,0,0,0,0,0|2,0,0]=4 269 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [2,0,0,0,0,0|2,0,0]=4 271 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [2,0,0,0,0,0|1,0,0]=3 272 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [2,0,0,0,0,0|2,0,0]=4 273 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [2,0,0,0,0,0|1,0,0]=3 274 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [2,0,0,0,0,0|1,0,1]=4 275 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [2,0,0,0,0,0|2,0,0]=4 276 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [2,0,0,0,0,0|1,0,1]=4 281 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [2,0,0,0,0,0|1,0,1]=4 282 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [2,0,0,0,0,0|2,0,0]=4 283 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [2,0,0,0,0,0|2,0,0]=4 284 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [2,0,0,0,0,0|1,0,0]=3 285 B10R1.113 CC1=CC(=CC=C1)[C@@H](C)O PI-49835 [2,0,0,0,0,0|1,0,1]=4 286 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [2,0,0,0,0,0|1,0,0]=3 287 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [2,0,0,0,0,0|1,0,0]=3 288 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [2,0,0,0,0,0|1,0,0]=3 291 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [2,0,0,0,0,0|1,0,1]=4 292 B10R1.113 Cc1nccc(n1)C(=O)O PI-36794 [2,0,0,0,0,0|2,0,0]=4 293 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [2,0,0,0,0,0|2,0,0]=4 294 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [2,0,0,0,0,0|1,0,0]=3 298 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [2,0,0,0,0,0|2,0,0]=4 299 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [2,0,0,0,0,0|1,1,0]=4 300 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [2,0,0,0,0,0|2,0,0]=4 302 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [2,0,0,0,0,0|1,0,0]=3 303 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [2,0,0,0,0,0|1,0,1]=4 304 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [2,0,0,0,0,0|1,0,0]=3 305 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [2,0,0,0,0,0|1,0,0]=3 306 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [2,0,0,0,0,0|1,0,0]=3 307 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [2,0,0,0,0,0|0,0,0]=2 308 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [2,0,0,0,0,0|1,0,1]=4 309 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [2,0,0,0,0,0|1,0,0]=3 310 B10R1.113 Oc1ncnc(c1)C(=O)O PI-31803 [2,0,0,0,0,0|2,0,0]=4 311 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [2,0,0,0,0,0|1,1,0]=4 312 B10R1.176 C1=CC(=C(C=C1C=O)Br)Br PI-27885 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.176 C1=CC(=C(C=C1C=O)Br)Cl PI-35233 [2,0,0,0,0,0|2,0,0]=4 314 B10R1.176 C1=CC(=C(C=C1C=O)Br)O PI-18445 [2,0,0,0,0,0|1,0,0]=3 315 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F PI-28406 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.176 C1=CC(=C(C=C1C=O)Cl)O PI-20127 [2,0,0,0,0,0|1,0,0]=3 317 B10R1.176 C1=CC(=C(C=C1C=O)F)O PI-28509 [2,0,0,0,0,0|1,0,0]=3 318 B10R1.176 C1=CC(=C(C=C1C=O)I)F PI-26322 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.176 C1=CC(=C(C=C1C=O)O)I PI-27146 [2,0,0,0,0,0|1,0,0]=3 320 B10R1.176 C1=CC(=C(C=C1CO)O)I PI-45003 [2,0,0,0,0,0|1,0,1]=4 321 B10R1.176 C1=CC(=C(C=C1CO)O)O PI-19526 [2,0,0,0,0,0|0,0,1]=3 322 B10R1.176 CC1=C(C=C(C=C1)C=O)C PI-11614 [2,0,0,0,0,0|1,0,0]=3 323 B10R1.176 CC1=C(C=C(C=C1)C=O)F PI-28215 [2,0,0,0,0,0|2,0,0]=4 324 B10R1.176 CC1=C(C=CC(=C1)C=O)F PI-28124 [2,0,0,0,0,0|1,0,0]=3 325 B10R1.176 CC1=C(C=CC(=C1)C=O)O PI-18215 [2,0,0,0,0,0|0,0,0]=2 326 B10R1.176 CCc1ccc(c(c1)O)O PI-19057 [2,0,0,0,0,0|1,0,1]=4 327 B10R1.176 Fc1ccc(C=O)cc1Br PI-10431 [2,0,0,0,0,0|2,0,0]=4 328 B10R1.176 NCc1ccc(c(c1)O)O PI-30190 [2,0,0,0,0,0|1,0,1]=4 329 B10R1.176 O=CC1=CC=C(O)C(I)=C1 PI-27762 [2,0,0,0,0,0|1,0,0]=3 330 B10R1.176 O=Cc1ccc(Cl)c(F)c1 PI-10524 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.176 O=Cc1ccc(F)c(F)c1 PI-10106 [2,0,0,0,0,0|2,0,0]=4 332 B10R1.176 O=Cc1ccc(I)c(F)c1 PI-28941 [2,0,0,0,0,0|2,0,0]=4 333 B10R1.176 O=Cc1ccc(I)c(I)c1 PI-26672 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.176 O=Cc1ccc(O)c(O)c1 PI-10046 [2,0,0,0,0,0|0,0,0]=2 335 B10R1.176 O=Cc1ccc(c(c1)Cl)Cl PI-18774 [2,0,0,0,0,0|2,0,0]=4 336 B10R1.176 O=Cc1ccc(c(c1)F)Br PI-10449 [2,0,0,0,0,0|2,0,0]=4 337 B10R1.176 O=Cc1ccc(c(c1)O)C PI-27720 [2,0,0,0,0,0|1,0,0]=3 338 B10R1.172 BrCc1cccc(C=O)c1 PI-26927 [2,0,0,0,0,0|2,0,0]=4 339 B10R1.172 C1=CC(=CC(=C1)C#N)C=O PI-24269 [2,0,0,0,0,0|2,0,0]=4 340 B10R1.172 C=Cc1cccc(c1)C=O PI-27316 [2,0,0,0,0,0|1,0,1]=4 341 B10R1.172 COC1=CC(=CC=C1)OC PI-35273 [2,0,0,0,0,0|2,0,0]=4 342 B10R1.172 COC1=CC=CC(=C1)C#N PI-31072 [2,0,0,0,0,0|1,0,1]=4 343 B10R1.172 COC1=CC=CC(=C1)CBr PI-49400 [2,0,0,0,0,0|1,0,1]=4 344 B10R1.172 COC1=CC=CC(=C1)CN PI-31714 [2,0,0,0,0,0|1,0,1]=4 345 B10R1.172 COC1=CC=CC(=C1)NN PI-29546 [2,0,0,0,0,0|2,0,0]=4 346 B10R1.172 COc1cccc(c1)C=O PI-32570 [2,0,0,0,0,0|0,0,0]=2 347 B10R1.172 COc1cccc(n1)C=O PI-26723 [2,0,0,0,0,0|1,0,0]=3 348 B10R1.172 COc1nccc(c1)CO PI-39370 [2,0,0,0,0,0|1,0,1]=4 349 B10R1.172 ClCc1cccc(c1)OC PI-32021 [2,0,0,0,0,0|1,0,1]=4 350 B10R1.172 O=CC1=CC(OC)=CN=C1 PI-37016 [2,0,0,0,0,0|1,0,0]=3 351 B10R1.172 O=Cc1cccc(c1)C=O PI-16456 [2,0,0,0,0,0|2,0,0]=4 352 B10R1.172 O=Cc1cccc(c1)C=O PI-18771 [2,0,0,0,0,0|2,0,0]=4 353 B10R1.172 OCc1cccc(c1)OC PI-31272 [2,0,0,0,0,0|0,0,1]=3 354 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [2,0,0,0,0,0|2,0,0]=4 355 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [2,0,0,0,0,0|2,0,0]=4 356 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [2,0,0,0,0,0|1,0,0]=3 357 B10R1.30 COC1=C(C=CC(=C1)Br)N PI-44941 [2,0,0,0,0,0|2,0,0]=4 358 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [2,0,0,0,0,0|2,0,0]=4 359 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [2,0,0,0,0,0|2,0,0]=4 360 B10R1.30 COC1=C(C=CC(=C1)F)Br PI-21434 [2,0,0,0,0,0|2,0,0]=4 361 B10R1.30 COC1=C(C=CC(=C1)F)F PI-12727 [2,0,0,0,0,0|2,0,0]=4 362 B10R1.30 COC1=C(C=CC(=C1)N)Br PI-33359 [2,0,0,0,0,0|2,0,0]=4 363 B10R1.30 COC1=C(C=CC(=C1)N)Cl PI-34236 [2,0,0,0,0,0|2,0,0]=4 364 B10R1.30 COC1=C(C=CC(=C1)N)F PI-10622 [2,0,0,0,0,0|2,0,0]=4 365 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [2,0,0,0,0,0|1,0,0]=3 366 B10R1.30 COc1cc(Br)ccc1Cl PI-14389 [2,0,0,0,0,0|2,0,0]=4 367 B10R1.30 COc1cc(Br)ccc1F PI-34341 [2,0,0,0,0,0|2,0,0]=4 368 B10R1.30 FC1=CC(=C(N)C=C1)OC PI-39749 [2,0,0,0,0,0|2,0,0]=4 369 B10R1.30 O=Cc1cc(O)ccc1O PI-18118 [2,0,0,0,0,0|2,0,0]=4 370 B12R1.48 B(C1=CC(=C(C=C1)CO)C)(O)O PI-49978 [1,1,0,0,0,0|1,0,1]=4 371 B12R1.48 B(C1=CC(=C(C=C1)OC)C)(O)O PI-19231 [1,1,0,0,0,0|1,0,1]=4 372 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)Cl PI-30545 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.48 CC(=O)C1=CC(=C(C=C1)OC)I PI-30933 [1,1,0,0,0,0|2,0,0]=4 374 B12R1.48 CC1=C(C=CC(=C1)[N+](=O)[O-])CO PI-49446 [1,1,0,0,0,0|1,0,1]=4 375 B12R1.48 CCC1=C(C=C(C=C1)C(=O)O)O PI-27034 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.48 COC1=C(C=C(C=C1)C(=O)Cl)F PI-23716 [1,1,0,0,0,0|2,0,0]=4 377 B12R1.48 COC1=C(C=C(C=C1)C(=O)N)N PI-11538 [1,1,0,0,0,0|2,0,0]=4 378 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br PI-30998 [1,1,0,0,0,0|1,0,0]=3 379 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)F PI-13362 [1,1,0,0,0,0|1,0,0]=3 380 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)N PI-30426 [1,1,0,0,0,0|1,0,0]=3 381 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)O PI-10869 [1,1,0,0,0,0|0,0,0]=2 382 B12R1.48 COC1=C(C=C(C=N1)C(=O)O)F PI-50022 [1,1,0,0,0,0|2,0,0]=4 383 B12R1.48 COc1ccc(cc1Br)C(=O)C PI-21565 [1,1,0,0,0,0|2,0,0]=4 384 B12R1.48 COc1ccc(cc1Cl)C(=O)O PI-30550 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.48 COc1ccc(cc1F)C(=O)C PI-16157 [1,1,0,0,0,0|2,0,0]=4 386 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] PI-15695 [1,1,0,0,0,0|1,0,1]=4 387 B12R1.48 COc1ccc(nc1Br)C(=O)O PI-38347 [1,1,0,0,0,0|2,0,0]=4 388 B12R1.48 O=C(O)C1=CC=C(C#N)C(F)=C1 PI-37119 [1,1,0,0,0,0|2,0,0]=4 389 B12R1.48 O=C(O)C1=CC=C(C=O)C(O)=C1 PI-33362 [1,1,0,0,0,0|0,0,1]=3 390 B12R1.232 C1=C(C(=CC(=C1Br)Cl)N)C(=O)O PI-45739 [1,1,0,0,0,0|2,0,0]=4 391 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O PI-39988 [1,1,0,0,0,0|2,0,0]=4 392 B12R1.232 C1=C(C(=CC(=C1F)Br)F)C(=O)O PI-40947 [1,1,0,0,0,0|2,0,0]=4 393 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O PI-16073 [1,1,0,0,0,0|2,0,0]=4 394 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O PI-16075 [1,1,0,0,0,0|2,0,0]=4 395 B12R1.232 C1=C(C(=CC(=C1F)F)Cl)C(=O)O PI-16074 [1,1,0,0,0,0|2,0,0]=4 396 B12R1.232 C1=C(C(=CC(=C1F)F)I)C(=O)O PI-34281 [1,1,0,0,0,0|2,0,0]=4 397 B12R1.232 C1=C(C(=CC(=C1F)F)N)C(=O)O PI-10424 [1,1,0,0,0,0|2,0,0]=4 398 B12R1.232 C1=C(C(=CC(=C1O)O)O)C(=O)O PI-11736 [1,1,0,0,0,0|0,0,0]=2 399 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O PI-44126 [1,1,0,0,0,0|1,0,0]=3 400 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F PI-34463 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C PI-27676 [1,1,0,0,0,0|1,0,0]=3 402 B12R1.232 CC1=CC(=C(C=C1C)O)C(=O)C PI-23855 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.232 CC1=CC(=C(C=C1F)F)C(=O)O PI-34480 [1,1,0,0,0,0|1,0,0]=3 404 B12R1.232 Fc1cc(C(=O)O)c(F)cc1C PI-34461 [1,1,0,0,0,0|2,0,0]=4 405 B12R1.232 Fc1cc(C(=O)O)c(F)cc1F PI-16078 [1,1,0,0,0,0|2,0,0]=4 406 B12R1.232 Fc1cc(C(=O)O)c(cc1N)F PI-34478 [1,1,0,0,0,0|2,0,0]=4 407 B12R1.232 O=C(O)C1=CC(C)=C(C)C=C1N PI-40810 [1,1,0,0,0,0|1,0,0]=3 408 B12R1.232 O=C(O)C1=CC(N)=C(C)C=C1C PI-36846 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.232 OC(=O)c1cc(Cl)c(F)cc1F PI-10197 [1,1,0,0,0,0|2,0,0]=4 410 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O PI-12891 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.367 C1=CC(=C(C=C1C(=O)NN)O)O PI-30566 [1,1,0,0,0,0|1,0,0]=3 412 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O PI-10337 [1,1,0,0,0,0|1,0,1]=4 413 B12R1.367 C1=CC(=C(C=C1C(CO)O)O)O PI-26530 [1,1,0,0,0,0|0,0,2]=4 414 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Br PI-30048 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)C PI-30556 [1,1,0,0,0,0|1,0,0]=3 416 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Cl PI-32079 [1,1,0,0,0,0|2,0,0]=4 417 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44887 [1,1,0,0,0,0|2,0,0]=4 418 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)I PI-44912 [1,1,0,0,0,0|2,0,0]=4 419 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)N PI-28231 [1,1,0,0,0,0|2,0,0]=4 420 B12R1.367 CC1=C(C=CC(=C1)C(=O)NN)Br PI-50352 [1,1,0,0,0,0|2,0,0]=4 421 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)Br PI-22130 [1,1,0,0,0,0|1,0,0]=3 422 B12R1.367 CC1=C(C=CC(=C1)C(=O)OC)N PI-20693 [1,1,0,0,0,0|1,0,0]=3 423 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)O PI-17412 [1,1,0,0,0,0|1,0,0]=3 424 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)O PI-50476 [1,1,0,0,0,0|1,0,0]=3 425 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Cl PI-18437 [1,1,0,0,0,0|2,0,0]=4 426 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)F PI-50576 [1,1,0,0,0,0|2,0,0]=4 427 B12R1.367 COC(=O)C1=CC(=C(C=C1)I)N PI-40951 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Br PI-50477 [1,1,0,0,0,0|2,0,0]=4 429 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O PI-30817 [1,1,0,0,0,0|1,0,0]=3 430 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)O PI-48213 [1,1,0,0,0,0|2,0,0]=4 431 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 PI-41936 [1,1,0,0,0,0|2,0,0]=4 432 B12R1.367 COC(=O)c1ccc(O)c(C)c1 PI-36002 [1,1,0,0,0,0|0,0,0]=2 433 B12R1.367 COC(=O)c1ccc(O)c(I)c1 PI-36756 [1,1,0,0,0,0|1,0,0]=3 434 B12R1.367 COC(=O)c1ccc(O)c(O)c1 PI-18336 [1,1,0,0,0,0|0,0,0]=2 435 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O PI-30567 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl PI-18531 [1,1,0,0,0,0|2,0,0]=4 437 B12R1.367 COC(=O)c1ccc(c(c1)N)N PI-30534 [1,1,0,0,0,0|2,0,0]=4 438 B12R1.367 COC(=O)c1ccc(c(c1)N)O PI-39416 [1,1,0,0,0,0|1,0,0]=3 439 B12R1.367 OC1=CC=C(C([O-4][K+2])=O)C=C1O PI-50444 [1,1,0,0,0,0|0,0,0]=2 440 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)Cl)F PI-20034 [1,1,0,0,0,0|2,0,0]=4 441 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)O PI-34339 [1,1,0,0,0,0|1,0,0]=3 442 B12R1.893 C1=CC(=C(C(=C1C(=O)O)O)O)O PI-27783 [1,1,0,0,0,0|0,0,0]=2 443 B12R1.893 CC(=O)C1=C(C(=C(C=C1)O)O)O PI-29660 [1,1,0,0,0,0|1,0,0]=3 444 B12R1.893 CC1=C(C=CC(=C1C)O)[N+](=O)[O-] PI-27308 [1,1,0,0,0,0|1,0,1]=4 445 B12R1.893 CC1=C(C=CC(=C1O)C(=O)C)O PI-29030 [1,1,0,0,0,0|1,0,0]=3 446 B12R1.893 NC1=C(C=CC(F)=C1F)C(O)=O PI-41759 [1,1,0,0,0,0|2,0,0]=4 447 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1N PI-41747 [1,1,0,0,0,0|2,0,0]=4 448 B12R1.893 O=C(O)C1=CC=C(C)C(F)=C1F PI-37178 [1,1,0,0,0,0|2,0,0]=4 449 B12R1.893 OC(=O)c1ccc(F)c(F)c1F PI-16077 [1,1,0,0,0,0|2,0,0]=4 450 B12R1.893 OC(=O)c1ccc(c(c1C)F)F PI-34462 [1,1,0,0,0,0|2,0,0]=4 451 B12R1.893 OC(=O)c1ccc(c(c1F)C)F PI-34460 [1,1,0,0,0,0|1,0,0]=3 452 B12R1.893 OC(=O)c1ccc(c(c1F)F)N PI-38299 [1,1,0,0,0,0|2,0,0]=4 453 B12R1.893 OC(=O)c1ccc(c(c1N)C)C PI-32620 [1,1,0,0,0,0|1,0,0]=3 454 B12R1.893 OC(=O)c1ccc(c(c1N)I)C PI-34646 [1,1,0,0,0,0|2,0,0]=4 455 B12R1.1005 C1=C(C=C(C(=C1Br)N)Br)C(=O)O PI-16434 [1,1,0,0,0,0|2,0,0]=4 456 B12R1.1005 C1=C(C=C(C(=C1Br)O)Br)C(=O)O PI-32491 [1,1,0,0,0,0|1,0,0]=3 457 B12R1.1005 C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O PI-10216 [1,1,0,0,0,0|1,0,0]=3 458 B12R1.1005 C1=C(C=C(C(=C1I)N)I)C(=O)O PI-30306 [1,1,0,0,0,0|2,0,0]=4 459 B12R1.1005 C1=C(C=C(C(=C1I)O)I)C(=O)O PI-50669 [1,1,0,0,0,0|1,0,0]=3 460 B12R1.1005 C1=C(C=C(C(=C1O)Br)O)C(=O)N PI-30122 [1,1,0,0,0,0|2,0,0]=4 461 B12R1.1005 C1=C(C=C(C(=C1O)Br)O)C(=O)O PI-31080 [1,1,0,0,0,0|1,0,0]=3 462 B12R1.1005 C1=C(C=C(C(=C1O)O)O)C(=O)N PI-30786 [1,1,0,0,0,0|1,0,0]=3 463 B12R1.1005 C1=C(C=C(C(=C1O)O)O)C(=O)O PI-41884 [1,1,0,0,0,0|0,0,0]=2 464 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Br)O)Br PI-29437 [1,1,0,0,0,0|2,0,0]=4 465 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl PI-29196 [1,1,0,0,0,0|2,0,0]=4 466 B12R1.1005 CC1=C(C=C(C=C1Br)C(=O)O)Br PI-20976 [1,1,0,0,0,0|2,0,0]=4 467 B12R1.1005 CC1=C(C=C(C=C1O)C(=O)O)O PI-10217 [1,1,0,0,0,0|1,0,0]=3 468 B12R1.1005 CC1=CC(=CC(=C1Br)C)C(=O)N PI-12465 [1,1,0,0,0,0|2,0,0]=4 469 B12R1.1005 OC(=O)c1cc(C)c(c(c1)C)O PI-27630 [1,1,0,0,0,0|0,0,0]=2 470 B12R1.1005 OC(=O)c1cc(Cl)c(c(c1)Cl)Cl PI-35507 [1,1,0,0,0,0|2,0,0]=4 471 B12R1.1005 OC(=O)c1cc(Cl)c(c(c1)Cl)N PI-11020 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.1005 OC(=O)c1cc(F)c(F)c(F)c1 PI-16080 [1,1,0,0,0,0|2,0,0]=4 473 B12R1.1005 OC(=O)c1cc(F)c(c(c1)F)N PI-38301 [1,1,0,0,0,0|2,0,0]=4 474 B12R1.1005 OC1=C(C)C=C([N+]([O-])=O)C=C1C PI-21964 [1,1,0,0,0,0|1,0,1]=4 475 B12R1.11 B(C1=CC(=CC(=C1)F)OC)(O)O PI-49915 [1,1,0,0,0,0|1,0,1]=4 476 B12R1.11 COC1=NC(=CC(=C1)C(=O)Cl)Cl PI-20146 [1,1,0,0,0,0|2,0,0]=4 477 B12R1.11 COC1=NC(=CC(=C1)C(=O)O)Cl PI-26177 [1,1,0,0,0,0|1,0,0]=3 478 B12R1.11 COc1cc(C)cc(c1)C(=O)O PI-36103 [1,1,0,0,0,0|0,0,0]=2 479 B12R1.11 COc1cc(N)cc(c1)[N+](=O)[O-] PI-29722 [1,1,0,0,0,0|1,0,1]=4 480 B12R1.258 CC(=C)C1=CC(=CC=C1)C(=O)C PI-50179 [1,1,0,0,0,0|2,0,0]=4 481 B12R1.258 CC(=O)C1=CC(=CC=C1)N(C)C PI-29288 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.258 CC(=O)c1cccc(c1)C(=O)O PI-29723 [1,1,0,0,0,0|1,0,0]=3 483 B12R1.258 CN(C)C1=CC=CC(=C1)C(=O)O PI-34171 [1,1,0,0,0,0|1,0,0]=3 484 B12R1.258 CN(C)c1cccc(c1)C(=O)N PI-23370 [1,1,0,0,0,0|2,0,0]=4 485 B12R1.258 CN(c1ccnc(c1)C(=O)O)C PI-38290 [1,1,0,0,0,0|2,0,0]=4 486 B12R1.258 O=C(O)C1=CC=CC(C(F)F)=C1 PI-41972 [1,1,0,0,0,0|2,0,0]=4 487 B12R1.258 OB(c1cccc(c1)C(=O)O)O PI-10307 [1,1,0,0,0,0|2,0,0]=4 488 B12R1.279 B(C1=CC(=CC=C1)COC)(O)O PI-25147 [1,1,0,0,0,0|1,0,1]=4 489 B12R1.279 B(C1=CC(=CC=C1)OCC)(O)O PI-25964 [1,1,0,0,0,0|1,0,1]=4 490 B12R1.279 C(#N)CC1=CC=CC(=C1)C(=O)O PI-41821 [1,1,0,0,0,0|1,0,1]=4 491 B12R1.279 C1=CC(=CC(=C1)C(=O)O)CCO PI-16394 [1,1,0,0,0,0|1,0,0]=3 492 B12R1.279 C1=CC(=CC(=C1)N=C=S)C(=O)O PI-23094 [1,1,0,0,0,0|1,0,1]=4 493 B12R1.279 CCOC1=CC=CC(=C1)C(=O)O PI-27803 [1,1,0,0,0,0|0,0,0]=2 494 B12R1.279 O=C(N)C1=CC=CC(OCC)=C1 PI-30716 [1,1,0,0,0,0|1,0,0]=3 495 B12R1.435 CCC(=O)C1=CC(=CC=C1)OC PI-49387 [1,1,0,0,0,0|1,0,0]=3 496 B12R1.435 COC(=O)C1=CC=CC(=C1)C#N PI-45902 [1,1,0,0,0,0|2,0,0]=4 497 B12R1.435 COC(=O)C1=CC=CC(=C1)CBr PI-30071 [1,1,0,0,0,0|2,0,0]=4 498 B12R1.435 COC(=O)c1cccc(C=O)c1 PI-27667 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.435 COC1=CC(=NC=C1)C(=O)OC PI-26535 [1,1,0,0,0,0|1,0,0]=3 500 B12R1.435 COC1=CC=CC(=C1)C(=O)CBr PI-21567 [1,1,0,0,0,0|1,0,0]=3 501 B12R1.435 COC1=CC=CC(=C1)C(=O)OC PI-50321 [1,1,0,0,0,0|0,0,0]=2 502 B12R1.435 COC1=CC=CC(=N1)C(=O)NN PI-41957 [1,1,0,0,0,0|2,0,0]=4 503 B12R1.436 COC1=CC(=CC=C1)S(=O)(=O)Cl PI-40966 [1,1,0,0,0,0|1,0,1]=4 504 B12R1.440 C1=CC(=C(C(=C1)C(=O)O)N)C=O PI-27422 [1,1,0,0,0,0|2,0,0]=4 505 B12R1.440 CC1=C(C=CC=C1OC)C(=O)O PI-11935 [1,1,0,0,0,0|0,0,0]=2 506 B12R1.440 CC1=C(C=CC=C1OC)[N+](=O)[O-] PI-26676 [1,1,0,0,0,0|1,0,1]=4 507 B12R1.440 CNC1=CC=CC(=C1O)C(=O)O PI-43053 [1,1,0,0,0,0|1,0,0]=3 508 B12R1.440 COC1=CC=CC(=C1Br)[N+](=O)[O-] PI-29844 [1,1,0,0,0,0|1,0,1]=4 509 B12R1.440 COC1=CC=CC(=C1N)C(=O)O PI-30469 [1,1,0,0,0,0|0,0,0]=2 510 B12R1.440 COC1=CC=CC(=C1O)C(=O)O PI-16106 [1,1,0,0,0,0|0,0,0]=2 511 B12R1.440 COc1cccc(c1Br)C(=O)O PI-39348 [1,1,0,0,0,0|0,0,0]=2 512 B12R1.440 COc1cccc(c1F)B(O)O PI-25468 [1,1,0,0,0,0|1,0,1]=4 513 B12R1.440 O=C(Cl)C1=CC=CC(OC)=C1C PI-37995 [1,1,0,0,0,0|1,0,0]=3 514 B12R1.453 B(C1=C(C=CC(=C1)OC)Cl)(O)O PI-33007 [1,1,0,0,0,0|1,0,1]=4 515 B12R1.453 C1=CC(=C(C=C1C=O)C(=O)O)F PI-42451 [1,1,0,0,0,0|2,0,0]=4 516 B12R1.453 CC1=C(C=C(C=C1)OC)[N+](=O)[O-] PI-31366 [1,1,0,0,0,0|1,0,1]=4 517 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)C PI-29391 [1,1,0,0,0,0|2,0,0]=4 518 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)Cl PI-21556 [1,1,0,0,0,0|1,0,0]=3 519 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)O PI-30340 [1,1,0,0,0,0|0,0,0]=2 520 B12R1.453 COC1=CC(=C(C=C1)Br)[N+](=O)[O-] PI-29670 [1,1,0,0,0,0|1,0,1]=4 521 B12R1.453 COC1=CC(=C(C=C1)I)[N+](=O)[O-] PI-29724 [1,1,0,0,0,0|1,0,1]=4 522 B12R1.453 COC1=CC(=C(C=C1)O)[N+](=O)[O-] PI-29161 [1,1,0,0,0,0|1,0,1]=4 523 B12R1.453 COC1=NC=C(C(=C1)C(=O)O)N PI-26230 [1,1,0,0,0,0|1,0,0]=3 524 B12R1.453 COc1ccc(N)c(c1)C(=O)O PI-16410 [1,1,0,0,0,0|0,0,0]=2 525 B12R1.453 COc1ccc(c(c1)C(=O)C)O PI-29865 [1,1,0,0,0,0|1,0,0]=3 526 B12R1.453 COc1ccc(c(c1)C(=O)O)Cl PI-18773 [1,1,0,0,0,0|0,0,0]=2 527 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl PI-29037 [1,1,0,0,0,0|1,0,1]=4 528 B12R1.453 O=C(O)C1=CC(CC)=CC=C1N PI-42626 [1,1,0,0,0,0|1,0,0]=3 529 B12R1.453 O=C(O)C1=CC(OC)=CC=C1S PI-37112 [1,1,0,0,0,0|0,0,0]=2 530 B12R1.78 C1=C(C(=CC=C1OC)OC)OC PI-15328 [1,1,0,0,0,0|2,0,0]=4 531 B12R1.78 COC1=C(C=C(C=C1)C#N)OC PI-34357 [1,1,0,0,0,0|1,0,1]=4 532 B12R1.78 COC1=C(C=C(C=C1)C=C)OC PI-46940 [1,1,0,0,0,0|1,0,0]=3 533 B12R1.78 COC1=C(C=C(C=C1)CN)OC PI-21287 [1,1,0,0,0,0|1,0,1]=4 534 B12R1.78 COc1cc(C#C)ccc1OC PI-30615 [1,1,0,0,0,0|1,0,1]=4 535 B12R1.78 COc1cc(CCl)ccc1OC PI-32020 [1,1,0,0,0,0|1,0,1]=4 536 B12R1.78 COc1cc(OC)ccc1CO PI-29889 [1,1,0,0,0,0|2,0,0]=4 537 B12R1.78 COc1cc(SC)ccc1OC PI-23352 [1,1,0,0,0,0|2,0,0]=4 538 B12R1.78 COc1cc([N+]#[C-])ccc1OC PI-23292 [1,1,0,0,0,0|2,0,0]=4 539 B12R1.286 COC1=C(C=CC(=C1)C=NO)O PI-27429 [1,1,0,0,0,0|0,0,0]=2 540 B12R1.286 COC1=C(C=CC(=C1)CCN)O PI-20794 [1,1,0,0,0,0|1,0,1]=4 541 B12R1.286 OCCc1ccc(c(c1)OC)O PI-27378 [1,1,0,0,0,0|0,0,1]=3 542 B12R1.300 COC1=C(C(=CC(=C1)C=O)Br)O PI-18444 [1,1,0,0,0,0|0,0,0]=2 543 B12R1.300 COC1=C(C(=CC(=C1)C=O)I)O PI-27693 [1,1,0,0,0,0|0,0,0]=2 544 B12R1.300 COC1=CC(=CC(=C1O)O)C=O PI-18518 [1,1,0,0,0,0|0,0,0]=2 545 B12R1.300 COc1cc(C=O)cc(Cl)c1O PI-27306 [1,1,0,0,0,0|0,0,0]=2 546 B12R1.300 COc1cc(C=O)cc(F)c1O PI-27919 [1,1,0,0,0,0|0,0,0]=2 547 B12R1.449 COC1=C(C=C(C(=C1)C=O)Br)O PI-27776 [1,1,0,0,0,0|0,0,0]=2 548 B12R1.449 COC1=C(C=C(C(=C1)C=O)F)Cl PI-48251 [1,1,0,0,0,0|1,0,0]=3 549 B12R1.743 COC1=C(SC=C1Br)C(=O)OC PI-29059 [0,1,0,0,1,0|2,0,0]=4 550 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O PI-27381 [0,1,0,0,0,1|0,0,0]=2 551 B14R1.343 COc1cc(CC(=O)O)cc(Br)c1O PI-21510 [0,1,0,0,0,1|0,0,0]=2 552 B14R1.439 CCOc1cc(ccc1O)CC(=O)O PI-26915 [0,1,0,0,0,1|0,0,0]=2 553 B14R1.705 OC(=O)Cc1ccc(c(c1)[N+](=O)[O-])O PI-20831 [0,1,0,0,0,1|2,0,0]=4 554 B14R1.3405 COC(=O)Cc1ccc(O)c(C=O)c1 PI-36341 [0,1,0,0,0,1|2,0,0]=4 555 B14R1.3651 CC(=O)CC1=CC(=C(C=C1)OC)OC PI-12160 [0,1,0,0,0,1|1,0,0]=3 556 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)Cl)OC PI-30039 [0,1,0,0,0,1|1,0,0]=3 557 B14R1.3651 COC1=C(C=C(C=C1)CC(=S)N)OC PI-23351 [0,1,0,0,0,1|1,1,0]=4 558 B14R1.3651 COC1=C(C=C(C=C1)N=C(N)N)OC PI-47268 [0,1,0,0,0,1|2,0,0]=4 559 B14R1.3651 COc1cc(ccc1OC)CC(=O)O PI-32560 [0,1,0,0,0,1|0,0,0]=2 560 B14R1.12 C1=CC(=C(C=C1C(=O)O)C(F)(F)F)O PI-17604 [0,2,0,0,0,0|2,0,0]=4 561 B14R1.706 CC(=O)C1=CC(=C(C=C1)O)C(=O)OC PI-12063 [0,2,0,0,0,0|1,0,0]=3 562 B14R1.6035 CC(=O)C1=CC(=C(C=C1O)O)C(=O)C PI-15409 [0,2,0,0,0,0|2,0,0]=4 563 B14R1.6035 OC(=O)C1=CC(C(O)=O)=C(O)C=C1O PI-42052 [0,2,0,0,0,0|2,0,0]=4 564 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC PI-18761 [0,2,0,0,0,0|0,0,0]=2 565 B14R1.1864 BrCC(=O)c1ccc(OC)c(OC)c1 PI-21665 [0,2,0,0,0,0|1,0,0]=3 566 B14R1.1864 COC1=C(C=C(C=C1)C(=O)NN)OC PI-23189 [0,2,0,0,0,0|1,0,0]=3 567 B14R1.1864 COC1=C(C=CC(=C1)C(=O)OC)C=O PI-44122 [0,2,0,0,0,0|0,0,1]=3 568 B14R1.1864 COC1=C(C=CC(=C1)C(=O)OC)CBr PI-22126 [0,2,0,0,0,0|1,0,0]=3 569 B14R1.3654 COC1=C(C=C(C=C1)S(=O)(=O)Cl)OC PI-29368 [0,2,0,0,0,0|1,0,1]=4 570 B14R1.362 COC1=CC(=CC(=C1Br)OC)C(=O)O PI-27709 [0,2,0,0,0,0|1,0,0]=3 571 B14R1.362 COC1=CC(=CC(=C1N)OC)C(=O)O PI-35866 [0,2,0,0,0,0|1,0,0]=3 572 B14R1.362 COC1=CC(=CC(=C1O)C=O)[N+](=O)[O-] PI-18255 [0,2,0,0,0,0|1,0,1]=4 573 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)O PI-11899 [0,2,0,0,0,0|0,0,0]=2 574 B14R1.362 COc1cc(cc(c1O)OC)C(=O)C PI-29393 [0,2,0,0,0,0|1,0,0]=3 575 B14R1.12249 COC1=C(C(=CC(=C1F)F)C(=O)Cl)F PI-28058 [0,2,0,0,0,0|2,0,0]=4 576 B14R1.12249 COc1c(F)c(cc(F)c1F)C(=O)O PI-16120 [0,2,0,0,0,0|1,0,0]=3 577 B14R1.441 CCOC1=C(C=CC(=C1)C(=O)O)OC PI-29418 [0,2,0,0,0,0|0,0,0]=2 578 B14R1.5389 CCCC1=C(C=CC(=C1O)C(=O)C)O PI-29577 [0,2,0,0,0,0|2,0,0]=4 579 B14R1.1851 CC(=O)C1=CC(=C(C=C1N)OC)OC PI-29580 [0,2,0,0,0,0|1,0,0]=3 580 B14R1.1851 CC(=O)C1=CC(=C(C=C1O)OC)OC PI-29319 [0,2,0,0,0,0|1,0,0]=3 581 B14R1.1851 COC1=C(C=C(C(=C1)C(=O)O)I)OC PI-23243 [0,2,0,0,0,0|0,0,0]=2 582 B14R1.1851 COc1cc(C(=O)N)c(cc1OC)N PI-39392 [0,2,0,0,0,0|1,0,0]=3 583 B14R1.1851 COc1cc(C(=O)O)c(cc1OC)Br PI-21656 [0,2,0,0,0,0|0,0,0]=2 584 B14R1.1851 COc1cc(C(=O)O)c(cc1OC)N PI-10211 [0,2,0,0,0,0|0,0,0]=2 585 B14R1.43 B(C1=CC(=C(C=C1)C(=O)O)OC)(O)O PI-49983 [0,2,0,0,0,0|1,0,1]=4 586 B14R1.43 COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-] PI-28594 [0,2,0,0,0,0|0,0,1]=3 587 B14R1.43 COc1cc(ccc1C(=O)O)[N+](=O)[O-] PI-34254 [0,2,0,0,0,0|1,0,1]=4 588 B14R1.43 COc1cc(ccc1[N+](=O)[O-])C(=O)C PI-18349 [0,2,0,0,0,0|1,0,1]=4 589 B14R1.2023 CC(=O)C1=C(C(=C(C=C1)OC)OC)O PI-29677 [0,2,0,0,0,0|1,0,0]=3 590 B14R1.2023 COC1=C(C(=C(C=C1)C(=O)N)Cl)OC PI-30221 [0,2,0,0,0,0|1,0,0]=3 591 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [0,0,1,1,0,0|1,0,1]=4 592 B12R2.1384 O=C(C1=CC=C2CCC2=C1)O PI-40929 [1,0,0,1,0,0|1,0,0]=3 593 B12R2.44 C#Cc1ccc2c(c1)OCO2 PI-38731 [1,0,0,1,0,0|1,0,1]=4 594 B12R2.44 C1=CC2=C(C=C1C=O)OC=N2 PI-50074 [1,0,0,1,0,0|1,0,1]=4 595 B12R2.44 C1=CC2=C(C=CO2)C=C1C=O PI-19018 [1,0,0,1,0,0|1,0,1]=4 596 B12R2.44 C1COC2=C1C=C(C=C2)C=O PI-21253 [1,0,0,1,0,0|1,0,0]=3 597 B12R2.44 C1COC2=C1C=C(C=C2)CO PI-19102 [1,0,0,1,0,0|1,0,1]=4 598 B12R2.44 C1OC2=C(O1)C=C(C=C2)CCl PI-32417 [1,0,0,1,0,0|1,0,1]=4 599 B12R2.44 C=CC1=CC2=C(C=C1)OCO2 PI-49743 [1,0,0,1,0,0|1,0,0]=3 600 B12R2.44 N#Cc1ccc2c(c1)OCO2 PI-12788 [1,0,0,1,0,0|1,0,1]=4 601 B12R2.44 O=CC1=CC=C2OC=NC2=C1 PI-46719 [1,0,0,1,0,0|1,0,1]=4 602 B12R2.44 OCc1ccc2OCOc2c1 PI-32416 [1,0,0,1,0,0|0,0,1]=3 603 B14R2.1008 ClC(=O)Cc1ccc2OCOc2c1 PI-14793 [0,0,0,1,0,1|1,0,0]=3 604 B14R2.1008 OC(=O)Cc1ccc2c(c1)OCO2 PI-26528 [0,0,0,1,0,1|0,0,0]=2 605 B14R2.966 C1OC2=C(O1)C=C(C=C2)C(=O)CBr PI-14380 [0,1,0,1,0,0|1,0,0]=3 606 B14R2.966 C1OC2=C(O1)C=C(C=C2)C(=O)NN PI-50312 [0,1,0,1,0,0|1,0,0]=3 607 B14R2.966 COC(=O)C1=CC2=C(C=C1)OCO2 PI-50676 [0,1,0,1,0,0|0,0,0]=2 608 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 PI-41676 [0,1,0,1,0,0|1,0,1]=4 609 B14R2.966 COC(=O)c1ccc2CCNc2c1 PI-36076 [0,1,0,1,0,0|2,0,0]=4 610 B14R2.966 COC(=O)c1ccc2NCCc2c1 PI-36106 [0,1,0,1,0,0|2,0,0]=4 611 B14R2.3125 C1OC2=C(O1)C=C(C=C2)S(=O)(=O)Cl PI-38123 [0,1,0,1,0,0|1,0,1]=4 612 B14R2.601 CC1=NC2=C(N1)C=C(C=C2)C(=O)O PI-33933 [0,1,0,1,0,0|2,0,0]=4 613 B14R2.601 Cc1nc2ccc(cc2o1)C(=O)O PI-36023 [0,1,0,1,0,0|1,0,0]=3 614 B14R2.601 Cc1oc2ccc(cc2n1)C(=O)O PI-36025 [0,1,0,1,0,0|1,0,0]=3 615 B14R2.781 B(C1=CC2=C(C=C1)OCCO2)(O)O PI-21247 [0,1,0,1,0,0|1,0,1]=4 616 B14R2.781 C1CNCC2=C1C=C(C=C2)C(=O)O PI-48305 [0,1,0,1,0,0|2,0,0]=4 617 B14R2.781 C1COC2=C(O1)C=CC(=C2)C(=O)Cl PI-21245 [0,1,0,1,0,0|1,0,0]=3 618 B14R2.781 C1COC2=C(O1)C=CC(=C2)[N+](=O)[O-] PI-19181 [0,1,0,1,0,0|1,0,1]=4 619 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 PI-29436 [0,1,0,1,0,0|1,0,0]=3 620 B14R2.624 C1OC2=C(O1)C=C(C(=C2)C(=O)O)N PI-49768 [0,1,0,1,0,0|0,0,0]=2 621 B14R2.624 CC(=O)C1=CC2=C(C=C1N)OCO2 PI-29434 [0,1,0,1,0,0|1,0,0]=3 622 B14R2.624 CC(=O)C1=CC2=C(C=C1N)OCO2 PI-29983 [0,1,0,1,0,0|1,0,0]=3 623 B10R1.58 CC1=C(SC(=C1)C(=O)O)C PI-29578 [1,0,0,0,1,0|2,0,0]=4 624 B10R1.58 OC(=O)c1cc(c(s1)Br)C PI-39423 [1,0,0,0,1,0|2,0,0]=4 625 B10R1.58 OC(=O)c1oc(C)c(C)c1 PI-17532 [1,0,0,0,1,0|2,0,0]=4 626 B10R1.194 OC(=O)c1scc(Br)c1C PI-22179 [1,0,0,0,1,0|2,0,0]=4 627 B10R1.31 CCc1ccc(s1)C(=O)O PI-29371 [1,0,0,0,1,0|2,0,0]=4 628 B10R1.31 CSc1ccc(s1)C(=O)O PI-29329 [1,0,0,0,1,0|1,1,0]=4 629 B10R1.39 COC1=CSC=C1C(=O)N PI-29830 [1,0,0,0,1,0|2,0,0]=4 630 B10R1.39 COC1=CSC=C1C(=O)O PI-29870 [1,0,0,0,1,0|1,0,0]=3 631 B10R1.39 CSC1=C(C=CS1)C(=O)O PI-29871 [1,0,0,0,1,0|1,1,0]=4 632 B12R1.438 COC1=CC=CC(=C1)CC(=O)O PI-15442 [1,0,0,0,0,1|0,0,0]=2 633 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC PI-27655 [0,0,0,0,1,1|2,0,0]=4 634 B12R1.57 COC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-43287 [0,0,0,0,1,1|1,0,1]=4 635 B12R1.57 COc1cc(C)ccc1C(=O)O PI-36551 [0,0,0,0,1,1|1,0,0]=3 636 B12R1.57 COc1cc(Cl)ccc1C(=O)O PI-28661 [0,0,0,0,1,1|1,0,0]=3 637 B12R1.87 COC1=C(C=CC=C1I)C(=O)O PI-48048 [0,0,0,0,1,1|1,0,0]=3 638 B12R1.87 COC1=C(C=CN=C1C(=O)O)Cl PI-34876 [0,0,0,0,1,1|1,0,0]=3 639 B14R1.42 CC(CCC1=CC=C(O)C(OC)=C1)=O PI-41587 [0,0,0,0,0,2|1,0,0]=3 640 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)F PI-10642 [0,0,0,0,0,2|1,0,0]=3 641 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)[O-])O PI-45839 [0,0,0,0,0,2|0,0,1]=3 642 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O PI-29066 [0,0,0,0,0,2|0,0,0]=2 643 B14R1.42 COc1cc(\C=C/C(=O)O)ccc1O PI-10204 [0,0,0,0,0,2|0,0,0]=2