0 B10R1.58 C1=C(OC(=C1Br)Br)C(=O)O D168951 [0,0,0,0,0,0|0,3,0]=3 1 B10R1.58 C1=C(SC(=C1Cl)Cl)C(=O)O D192659 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.58 CC1=CC(=NN1C)C(=O)O H304036 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.23 CC1=C(C=C(S1)C=O)Br B588613 [1,0,0,0,0,0|1,1,0]=3 4 B9R1.23 CC1=C(SC(=N1)C=O)C D194862 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 B(C1=CC(=CS1)C)(O)O M290769 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.35 B(C1=CC=C(S1)Br)(O)O B167711 [1,0,0,0,0,0|1,1,1]=4 7 B9R1.35 B(C1=CC=C(S1)C)(O)O M290775 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.35 B(C1=CC=C(S1)Cl)(O)O C120526 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.35 C1=C(N=C(S1)Br)C(=O)O B152754 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.35 C1=C(N=C(S1)C(=O)O)Br B178029 [1,0,0,0,0,0|1,1,0]=3 11 B9R1.35 C1=C(N=C(S1)Cl)C(=O)O C133468 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.35 C1=C(N=C(S1)N)C(=O)O A184340 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.35 C1=C(NC(=O)N1)C(=O)O D138792 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.35 C1=C(NC=C1Br)C(=O)O W134576 [1,0,0,0,0,0|1,1,0]=3 15 B9R1.35 C1=C(NN=C1C(=O)O)Br B587873 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.35 C1=C(OC(=C1)Br)C(=O)O B139036 [1,0,0,0,0,0|0,2,0]=3 17 B9R1.35 C1=C(OC(=C1)Cl)C(=O)O C480705 [1,0,0,0,0,0|0,1,0]=2 18 B9R1.35 C1=C(OC=C1Br)C(=O)O B588799 [1,0,0,0,0,0|0,2,0]=3 19 B9R1.35 C1=C(ON=C1Br)C(=O)O B194427 [1,0,0,0,0,0|1,2,0]=4 20 B9R1.35 C1=C(SC(=C1)Br)C(=O)O B123511 [1,0,0,0,0,0|0,1,0]=2 21 B9R1.35 C1=C(SC(=C1)Br)[N+](=O)[O-] B166947 [1,0,0,0,0,0|1,1,1]=4 22 B9R1.35 C1=C(SC(=C1)Cl)C(=O)Cl C136614 [1,0,0,0,0,0|1,0,0]=2 23 B9R1.35 C1=C(SC(=C1)Cl)C(=O)O C101862 [1,0,0,0,0,0|0,0,0]=1 24 B9R1.35 C1=C(SC(=N1)Br)C(=O)O B119304 [1,0,0,0,0,0|1,1,0]=3 25 B9R1.35 C1=C(SC(=N1)Cl)C(=O)O C586129 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.35 C1=C(SC(=N1)N)C(=O)O A184341 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.35 C1=C(SC=C1Br)C(=O)N B186842 [1,0,0,0,0,0|1,1,0]=3 28 B9R1.35 C1=C(SC=C1Br)C(=O)O B153190 [1,0,0,0,0,0|0,1,0]=2 29 B9R1.35 C1=C(SC=C1C(=O)O)Br B123350 [1,0,0,0,0,0|2,1,0]=4 30 B9R1.35 C1=C(SC=C1C(=O)O)Cl C176258 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.35 C1=C(SC=C1Cl)C(=O)O C185466 [1,0,0,0,0,0|0,0,0]=1 32 B9R1.35 C1CC(=O)C=C1C(=O)O O352924 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.35 CC(=O)C1=CC(=CS1)Br B186234 [1,0,0,0,0,0|1,1,0]=3 34 B9R1.35 CC(=O)C1=CC(=CS1)Cl C303501 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.35 CC(=O)C1=CC=C(S1)Br A100556 [1,0,0,0,0,0|1,1,0]=3 36 B9R1.35 CC(=O)C1=CC=C(S1)Cl A151017 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.35 CC(=O)C1=CSC(=C1)Cl A171083 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.35 CC1=CC(=CS1)C(=O)O M168225 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.35 CC1=CC(=NN1)C(=O)O M123107 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.35 CC1=CC(=NO1)C(=O)O M113629 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.35 CC1=CC=C(O1)C(=O)C A113375 [1,0,0,0,0,0|2,1,0]=4 42 B9R1.35 CC1=CC=C(S1)C(=O)C A113376 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.35 CC1=CC=C(S1)C(=O)O M157939 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.35 CC1=CN=C(S1)C(=O)O M304139 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.35 CC1=CSC(=C1)C(=O)C A167104 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.35 CC1=CSC(=C1)C(=O)O M167262 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.35 CC1=CSC(=N1)C(=O)C A469639 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.35 CC1=NC(=CO1)C(=O)O M168812 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.35 CC1=NC(=CS1)C(=O)O M158475 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.35 CC1=NC=C(S1)C(=O)O M136312 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.35 CC1=NOC(=C1)C(=O)O M158059 [1,0,0,0,0,0|2,1,0]=4 52 B9R1.35 CN1C=C(N=C1)C(=O)O M158534 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.35 CN1C=CC(=C1)C(=O)O M184068 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.35 CN1C=CC(=N1)C(=O)O M158357 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.79 C1=C(SC(=C1Cl)Cl)S(=O)(=O)Cl D166814 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.79 C1=C(SC(=C1Cl)Cl)S(=O)(=O)N D130090 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.226 COC(=O)C1=CC(=C(O1)Br)Br M170891 [0,1,0,0,0,0|0,3,0]=4 58 B11R1.672 C1(=C(SC(=C1Br)Br)C(=O)O)Cl D589283 [0,1,0,0,0,0|0,2,0]=3 59 B11R1.21 B(C1=CC(=C(C=C1)Cl)Cl)(O)O D101124 [0,0,0,0,0,1|2,0,1]=4 60 B11R1.21 B(C1=CC(=C(N=C1)Cl)Cl)(O)O D586308 [0,0,0,0,0,1|2,0,1]=4 61 B11R1.21 C1=C(C(=CN=C1C(=O)O)Br)N A173604 [0,0,0,0,0,1|2,1,0]=4 62 B11R1.21 C1=C(C(=O)NC=C1C(=O)O)Br B151868 [0,0,0,0,0,1|2,1,0]=4 63 B11R1.21 C1=C(C(=O)NC=C1C(=O)O)Cl C153745 [0,0,0,0,0,1|2,0,0]=3 64 B11R1.21 C1=C(C=NC(=C1Br)Cl)C(=O)O B123197 [0,0,0,0,0,1|1,1,0]=3 65 B11R1.21 C1=C(C=NC(=C1Br)N)C(=O)O A182227 [0,0,0,0,0,1|2,1,0]=4 66 B11R1.21 C1=C(C=NC(=C1Cl)Cl)C(=O)O D123120 [0,0,0,0,0,1|1,0,0]=2 67 B11R1.21 C1=C(C=NC(=C1Cl)Cl)[N+](=O)[O-] W136129 [0,0,0,0,0,1|2,0,1]=4 68 B11R1.21 C1=C(C=NC(=C1F)Br)C(=O)O B170039 [0,0,0,0,0,1|1,2,0]=4 69 B11R1.21 C1=C(C=NC(=C1F)Cl)C(=O)O C193105 [0,0,0,0,0,1|1,1,0]=3 70 B11R1.21 C1=C(C=NC(=C1I)Cl)C(=O)O C349511 [0,0,0,0,0,1|1,1,0]=3 71 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)Cl D103220 [0,0,0,0,0,1|2,0,0]=3 72 B11R1.21 C1=CC(=C(C=C1C(=O)Cl)Cl)F C153869 [0,0,0,0,0,1|2,1,0]=4 73 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)Cl D154878 [0,0,0,0,0,1|2,0,0]=3 74 B11R1.21 C1=CC(=C(C=C1C(=O)N)Cl)F C420053 [0,0,0,0,0,1|2,1,0]=4 75 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)Br D194226 [0,0,0,0,0,1|1,2,0]=4 76 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)Cl B152312 [0,0,0,0,0,1|1,1,0]=3 77 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)F B152970 [0,0,0,0,0,1|1,2,0]=4 78 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)I B183133 [0,0,0,0,0,1|1,2,0]=4 79 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)N A134517 [0,0,0,0,0,1|2,1,0]=4 80 B11R1.21 C1=CC(=C(C=C1C(=O)O)Br)O B152311 [0,0,0,0,0,1|2,1,0]=4 81 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)Br B134378 [0,0,0,0,0,1|1,1,0]=3 82 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)Cl D110134 [0,0,0,0,0,1|1,0,0]=2 83 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)F C153391 [0,0,0,0,0,1|1,1,0]=3 84 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)I C194046 [0,0,0,0,0,1|1,1,0]=3 85 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)N A123912 [0,0,0,0,0,1|2,0,0]=3 86 B11R1.21 C1=CC(=C(C=C1C(=O)O)Cl)O C153755 [0,0,0,0,0,1|2,0,0]=3 87 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Br B123999 [0,0,0,0,0,1|1,2,0]=4 88 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)Cl C120453 [0,0,0,0,0,1|1,1,0]=3 89 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)F D120459 [0,0,0,0,0,1|1,2,0]=4 90 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)I F136784 [0,0,0,0,0,1|1,2,0]=4 91 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)N A120972 [0,0,0,0,0,1|2,1,0]=4 92 B11R1.21 C1=CC(=C(C=C1C(=O)O)F)O F124307 [0,0,0,0,0,1|2,1,0]=4 93 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)Cl C135910 [0,0,0,0,0,1|1,1,0]=3 94 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)F F136315 [0,0,0,0,0,1|1,2,0]=4 95 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)N A123913 [0,0,0,0,0,1|2,1,0]=4 96 B11R1.21 C1=CC(=C(C=C1C(=O)O)I)O H330656 [0,0,0,0,0,1|2,1,0]=4 97 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)Br A133302 [0,0,0,0,0,1|2,1,0]=4 98 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)Cl A151457 [0,0,0,0,0,1|2,0,0]=3 99 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)F A133076 [0,0,0,0,0,1|2,1,0]=4 100 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)N D139094 [0,0,0,0,0,1|3,0,0]=4 101 B11R1.21 C1=CC(=C(C=C1C(=O)O)N)O A107186 [0,0,0,0,0,1|3,0,0]=4 102 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)Br B302871 [0,0,0,0,0,1|2,1,0]=4 103 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)Cl C183834 [0,0,0,0,0,1|2,0,0]=3 104 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)F F123927 [0,0,0,0,0,1|2,1,0]=4 105 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)I H122561 [0,0,0,0,0,1|2,1,0]=4 106 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)N A109730 [0,0,0,0,0,1|3,0,0]=4 107 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O P104382 [0,0,0,0,0,1|3,0,0]=4 108 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O P104383 [0,0,0,0,0,1|3,0,0]=4 109 B11R1.21 C1=CC(=C(C=C1C(=O)O)O)O P427224 [0,0,0,0,0,1|3,0,0]=4 110 B11R1.21 C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl D155955 [0,0,0,0,0,1|2,0,1]=4 111 B11R1.21 C1=CC(=NC(=C1Cl)Cl)C(=O)O D187807 [0,0,0,0,0,1|1,0,0]=2 112 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)Cl D106502 [0,0,0,0,0,1|2,0,0]=3 113 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)F C122007 [0,0,0,0,0,1|2,1,0]=4 114 B11R1.21 CC(=O)C1=CC(=C(C=C1)Cl)N A405620 [0,0,0,0,0,1|3,0,0]=4 115 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Cl C121995 [0,0,0,0,0,1|2,1,0]=4 116 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)Cl C134912 [0,0,0,0,0,1|3,0,0]=4 117 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Br B136776 [0,0,0,0,0,1|2,1,0]=4 118 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)C D134702 [0,0,0,0,0,1|3,0,0]=4 119 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl C153816 [0,0,0,0,0,1|2,0,0]=3 120 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F F120584 [0,0,0,0,0,1|2,1,0]=4 121 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I I157659 [0,0,0,0,0,1|2,1,0]=4 122 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)N A107448 [0,0,0,0,0,1|3,0,0]=4 123 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)O H123413 [0,0,0,0,0,1|3,0,0]=4 124 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)Cl C100653 [0,0,0,0,0,1|3,0,0]=4 125 B11R1.21 CC1=C(C=CC(=C1)C(=O)C)Cl C470980 [0,0,0,0,0,1|3,0,0]=4 126 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Br B120923 [0,0,0,0,0,1|2,1,0]=4 127 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl C133589 [0,0,0,0,0,1|2,0,0]=3 128 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)F F120591 [0,0,0,0,0,1|2,1,0]=4 129 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)N A113937 [0,0,0,0,0,1|3,0,0]=4 130 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)O H157027 [0,0,0,0,0,1|3,0,0]=4 131 B11R1.21 CC1=CC(=NC=C1Br)C(=O)O B187715 [0,0,0,0,0,1|2,1,0]=4 132 B11R1.74 B(C1=CC(=CC(=C1)Cl)Cl)(O)O D100733 [0,0,0,0,0,1|2,0,1]=4 133 B11R1.74 B(C1=CC(=NC(=C1)Cl)Cl)(O)O D189583 [0,0,0,0,0,1|2,0,1]=4 134 B11R1.74 C1=C(C=C(C=C1Br)Br)C(=O)O D156025 [0,0,0,0,0,1|1,2,0]=4 135 B11R1.74 C1=C(C=C(C=C1Br)I)C(=O)O B137502 [0,0,0,0,0,1|1,2,0]=4 136 B11R1.74 C1=C(C=C(C=C1Cl)Br)C(=O)O B152309 [0,0,0,0,0,1|1,1,0]=3 137 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)Cl D136146 [0,0,0,0,0,1|2,0,0]=3 138 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)N D589609 [0,0,0,0,0,1|2,0,0]=3 139 B11R1.74 C1=C(C=C(C=C1Cl)Cl)C(=O)O D119321 [0,0,0,0,0,1|1,0,0]=2 140 B11R1.74 C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-] D134087 [0,0,0,0,0,1|2,0,1]=4 141 B11R1.74 C1=C(C=C(C=C1F)Br)C(=O)O B120670 [0,0,0,0,0,1|1,2,0]=4 142 B11R1.74 C1=C(C=C(C=C1F)Cl)C(=O)O W133200 [0,0,0,0,0,1|1,1,0]=3 143 B11R1.74 C1=C(C=C(C=C1F)F)C(=O)O D120312 [0,0,0,0,0,1|1,2,0]=4 144 B11R1.74 C1=C(C=C(C=C1N)Br)C(=O)O A589088 [0,0,0,0,0,1|2,1,0]=4 145 B11R1.74 C1=C(C=C(C=C1N)N)C(=O)O D106447 [0,0,0,0,0,1|3,0,0]=4 146 B11R1.74 C1=C(C=C(C=C1N)N)C(=O)O D135862 [0,0,0,0,0,1|3,0,0]=4 147 B11R1.74 C1=C(C=C(C=C1N)O)C(=O)O A181460 [0,0,0,0,0,1|3,0,0]=4 148 B11R1.74 C1=C(C=C(C=C1O)Br)C(=O)O W132469 [0,0,0,0,0,1|2,1,0]=4 149 B11R1.74 C1=C(C=C(C=C1O)Cl)C(=O)O C134197 [0,0,0,0,0,1|2,0,0]=3 150 B11R1.74 C1=C(C=C(C=C1O)F)C(=O)O F187195 [0,0,0,0,0,1|2,1,0]=4 151 B11R1.74 C1=C(C=C(C=C1O)O)C(=O)O D104386 [0,0,0,0,0,1|3,0,0]=4 152 B11R1.74 C1=C(C=C(N=C1Br)Br)C(=O)O D175566 [0,0,0,0,0,1|1,2,0]=4 153 B11R1.74 C1=C(C=C(N=C1C(=O)O)Cl)Cl D178023 [0,0,0,0,0,1|1,0,0]=2 154 B11R1.74 C1=C(C=C(N=C1Cl)Cl)C(=O)Cl D170301 [0,0,0,0,0,1|2,0,0]=3 155 B11R1.74 C1=C(C=C(N=C1Cl)Cl)C(=O)O D119973 [0,0,0,0,0,1|1,0,0]=2 156 B11R1.74 C1=C(C=C(N=C1Cl)Cl)[N+](=O)[O-] D124736 [0,0,0,0,0,1|2,0,1]=4 157 B11R1.74 C1=C(C=C(N=C1N)Cl)C(=O)O A467359 [0,0,0,0,0,1|2,0,0]=3 158 B11R1.74 C1=C(C=C(NC1=O)O)C(=O)O C109722 [0,0,0,0,0,1|3,0,0]=4 159 B11R1.74 C1=C(NC(=O)NC1=O)C(=O)O O108305 [0,0,0,0,0,1|3,0,0]=4 160 B11R1.74 C1=C(NC(=O)NC1=O)C(=O)O O137322 [0,0,0,0,0,1|3,0,0]=4 161 B11R1.74 C1=C(NC(=O)NC1=O)C(=O)O O425324 [0,0,0,0,0,1|3,0,0]=4 162 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)Cl D154377 [0,0,0,0,0,1|2,0,0]=3 163 B11R1.74 CC(=O)C1=CC(=CC(=C1)Cl)F C352537 [0,0,0,0,0,1|2,1,0]=4 164 B11R1.74 CC1=CC(=CC(=C1)Br)C(=O)O B123894 [0,0,0,0,0,1|2,1,0]=4 165 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C D154629 [0,0,0,0,0,1|3,0,0]=4 166 B11R1.74 CC1=CC(=CC(=C1)Cl)C(=O)O C185279 [0,0,0,0,0,1|2,0,0]=3 167 B11R1.74 CC1=CC(=CC(=C1)F)C(=O)O F120590 [0,0,0,0,0,1|2,1,0]=4 168 B11R1.74 CC1=CC(=CC(=C1)O)C(=O)O H194080 [0,0,0,0,0,1|3,0,0]=4 169 B11R1.74 CC1=CC(=CC(=N1)C)C(=O)O D185105 [0,0,0,0,0,1|3,0,0]=4 170 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)Cl C134897 [0,0,0,0,0,1|3,0,0]=4 171 B11R1.74 CC1=CC(=CC(=N1)Cl)C(=O)O C154055 [0,0,0,0,0,1|2,0,0]=3 172 B11R1.74 CC1=CC(=NC(=C1)Cl)C(=O)O C183688 [0,0,0,0,0,1|2,0,0]=3 173 B8R1.1 C1=C(N=C(S1)C=O)Br W137491 [2,0,0,0,0,0|1,1,0]=4 174 B8R1.1 C1=C(NC=C1Br)C=O B590754 [2,0,0,0,0,0|1,1,0]=4 175 B8R1.1 C1=C(OC(=C1)Br)C=O B111879 [2,0,0,0,0,0|0,2,0]=4 176 B8R1.1 C1=C(OC(=C1)Cl)C=O D303050 [2,0,0,0,0,0|0,1,0]=3 177 B8R1.1 C1=C(OC=C1Br)C=O B151893 [2,0,0,0,0,0|0,2,0]=4 178 B8R1.1 C1=C(SC(=C1)Br)C=O B101864 [2,0,0,0,0,0|0,1,0]=3 179 B8R1.1 C1=C(SC(=C1)Cl)C#N C170641 [2,0,0,0,0,0|1,0,1]=4 180 B8R1.1 C1=C(SC(=C1)Cl)C=O C123084 [2,0,0,0,0,0|0,0,0]=2 181 B8R1.1 C1=C(SC(=C1)Cl)CN A489444 [2,0,0,0,0,0|1,0,1]=4 182 B8R1.1 C1=C(SC(=C1)Cl)CN C176759 [2,0,0,0,0,0|1,0,1]=4 183 B8R1.1 C1=C(SC(=C1)Cl)CO C177325 [2,0,0,0,0,0|0,0,1]=3 184 B8R1.1 C1=C(SC(=N1)Cl)C=O C139486 [2,0,0,0,0,0|1,0,0]=3 185 B8R1.1 C1=C(SC(=N1)N)C=O A165357 [2,0,0,0,0,0|2,0,0]=4 186 B8R1.1 C1=C(SC(=N1)N)C=O A195849 [2,0,0,0,0,0|2,0,0]=4 187 B8R1.1 C1=C(SC=C1Br)C=O B153194 [2,0,0,0,0,0|0,1,0]=3 188 B8R1.1 C1=C(SC=C1Br)CO B186670 [2,0,0,0,0,0|0,1,1]=4 189 B8R1.1 CC1=CC=C(N1)C=O M586541 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.1 CC1=CC=C(O1)C=O M102952 [2,0,0,0,0,0|1,1,0]=4 191 B8R1.1 CC1=CC=C(O1)C=O M425132 [2,0,0,0,0,0|1,1,0]=4 192 B8R1.1 CC1=CC=C(S1)C=O M157937 [2,0,0,0,0,0|1,0,0]=3 193 B8R1.1 CC1=CSC(=C1)C=O M171140 [2,0,0,0,0,0|1,0,0]=3 194 B8R1.1 CC1=CSC(=N1)C=O W131880 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.1 CC1=NC=C(S1)C=O M586094 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.18 CC1=C(SC(=C1)Cl)Cl D155854 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.7 B(C1=CC=CS1)(O)O T107124 [2,0,0,0,0,0|1,0,1]=4 198 B8R1.7 C1=C(N=CS1)C(=O)O T119302 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.7 C1=C(NC=N1)C(=O)O I111403 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.7 C1=C(NN=C1)C(=O)O H337020 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.7 C1=C(NN=C1)C(=O)O P160445 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.7 C1=C(OC=N1)C(=O)O O138079 [2,0,0,0,0,0|1,1,0]=4 203 B8R1.7 C1=C(ON=C1)C(=O)O I121616 [2,0,0,0,0,0|1,1,0]=4 204 B8R1.7 C1=C(SC=N1)C(=O)N T339940 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.7 C1=C(SC=N1)C(=O)O T405006 [2,0,0,0,0,0|1,0,0]=3 206 B8R1.7 C1=CN=C(N1)C(=O)O H134313 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.7 C1=CNC(=C1)C(=O)O P106858 [2,0,0,0,0,0|1,0,0]=3 208 B8R1.7 C1=CNC=C1C(=O)O P139452 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.7 C1=COC(=C1)C(=O)Cl F107848 [2,0,0,0,0,0|1,1,0]=4 210 B8R1.7 C1=COC(=C1)C(=O)N F404495 [2,0,0,0,0,0|1,1,0]=4 211 B8R1.7 C1=COC(=C1)C(=O)O F111223 [2,0,0,0,0,0|0,1,0]=3 212 B8R1.7 C1=COC(=C1)C(=O)O F426656 [2,0,0,0,0,0|0,1,0]=3 213 B8R1.7 C1=COC=C1C(=O)O F156653 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.7 C1=CON=C1C(=O)O I133309 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.7 C1=CSC(=C1)C(=O)Cl T162807 [2,0,0,0,0,0|1,0,0]=3 216 B8R1.7 C1=CSC(=C1)C(=O)Cl T471243 [2,0,0,0,0,0|1,0,0]=3 217 B8R1.7 C1=CSC(=C1)C(=O)N T162813 [2,0,0,0,0,0|1,0,0]=3 218 B8R1.7 C1=CSC(=C1)C(=O)O T107125 [2,0,0,0,0,0|0,0,0]=2 219 B8R1.7 C1=CSC(=C1)C(=O)[O-] C115572 [2,0,0,0,0,0|0,0,1]=3 220 B8R1.7 C1=CSC(=C1)C(=S)N T302722 [2,0,0,0,0,0|1,1,0]=4 221 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] N101613 [2,0,0,0,0,0|1,0,1]=4 222 B8R1.7 C1=CSC(=N1)C(=O)O T131973 [2,0,0,0,0,0|1,0,0]=3 223 B8R1.7 C1=CSC=C1C(=O)O T124563 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.7 CC(=O)C1=CC=CN1 A113378 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.7 CC(=O)C1=CC=CO1 F106238 [2,0,0,0,0,0|1,1,0]=4 226 B8R1.7 CC(=O)C1=CC=CS1 A109378 [2,0,0,0,0,0|1,0,0]=3 227 B8R1.7 CC(=O)C1=NC=CS1 A124071 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.14 C1=C(SC(=C1)Cl)C(=O)CBr B185332 [1,1,0,0,0,0|1,0,0]=3 229 B10R1.14 CC1=CC=C(N1)C(=O)OC M586547 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.14 CC1=CC=C(O1)C(=O)OC M192320 [1,1,0,0,0,0|1,1,0]=4 231 B10R1.14 CC1=CC=C(S1)C(=O)OC M182448 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.14 CC1=CSC(=N1)C(=O)OC M587284 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.14 CCC(=O)C1=CC=C(S1)Br B169569 [1,1,0,0,0,0|1,1,0]=4 234 B10R1.14 COC(=O)C1=CC(=CN1)Br M139460 [1,1,0,0,0,0|1,1,0]=4 235 B10R1.14 COC(=O)C1=CC(=CS1)Br M176961 [1,1,0,0,0,0|0,1,0]=3 236 B10R1.14 COC(=O)C1=CC(=CS1)N A187877 [1,1,0,0,0,0|1,0,0]=3 237 B10R1.14 COC(=O)C1=CC=C(N1)Cl M587682 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.14 COC(=O)C1=CC=C(O1)Br M137548 [1,1,0,0,0,0|0,2,0]=4 239 B10R1.14 COC(=O)C1=CC=C(S1)Br M176962 [1,1,0,0,0,0|0,1,0]=3 240 B10R1.14 COC(=O)C1=CC=C(S1)Cl M303523 [1,1,0,0,0,0|0,0,0]=2 241 B10R1.14 COC(=O)C1=CN=C(S1)Br M133482 [1,1,0,0,0,0|1,1,0]=4 242 B10R1.14 COC(=O)C1=CN=C(S1)N M158472 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.14 COC(=O)C1=CSC(=C1)Cl M176259 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.31 C1=C(OC(=C1)C(=O)O)C=O F156654 [1,1,0,0,0,0|1,1,0]=4 245 B10R1.31 C1=C(OC(=C1)C(=O)O)CO H185705 [1,1,0,0,0,0|1,1,0]=4 246 B10R1.31 C1=C(OC(=C1)C(=O)O)CO H425212 [1,1,0,0,0,0|1,1,0]=4 247 B10R1.31 C1=C(SC(=C1)C(=O)O)C=O F156760 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.31 CC(=O)C1=CC=C(S1)C#N A136066 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.55 C1=C(SC(=C1)Cl)S(=O)(=O)Cl C110274 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.55 C1=C(SC(=C1)Cl)S(=O)(=O)F C467042 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.55 C1=C(SC(=C1)Cl)S(=O)(=O)N C107907 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.59 C1(=C(SC(=N1)Cl)Cl)C(=O)O D180971 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.59 C1=C(SC(=C1C(=O)O)Cl)Cl W134132 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.59 CC1=C(N=C(S1)Cl)C(=O)O C573561 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.59 CC1=C(SC(=C1)Br)C(=O)O B588952 [1,1,0,0,0,0|0,1,0]=3 256 B10R1.59 CC1=C(SC(=N1)Br)C(=O)O B136311 [1,1,0,0,0,0|1,1,0]=4 257 B10R1.59 CC1=C(SC(=N1)C)C(=O)O D135960 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.59 CC1=C(SC(=N1)N)C(=O)O A140221 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.194 CC1=C(SC=C1Br)C(=O)O B330826 [1,1,0,0,0,0|0,1,0]=3 260 B10R1.194 CC1=CC=C(N1C)C(=O)O D347696 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Cl C136170 [0,1,0,0,0,1|2,0,0]=4 262 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)Cl C153822 [0,1,0,0,0,1|2,0,0]=4 263 B12R1.232 C1=C(C(=CC(=C1Br)Cl)F)C(=O)O B192550 [0,1,0,0,0,1|1,1,0]=4 264 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)N)C(=O)O A182678 [0,1,0,0,0,1|1,0,0]=3 265 B12R1.232 C1=C(C(=CC(=C1Cl)F)F)C(=O)O C181058 [0,1,0,0,0,1|1,1,0]=4 266 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O D123769 [0,1,0,0,0,1|1,1,0]=4 267 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O W132118 [0,1,0,0,0,1|1,1,0]=4 268 B12R1.232 C1=C(C(=NC(=C1F)Cl)Cl)C(=O)O D119259 [0,1,0,0,0,1|1,1,0]=4 269 B12R1.232 C1=C(C(=NC(=C1F)Cl)Cl)C(=O)O D141276 [0,1,0,0,0,1|1,1,0]=4 270 B12R1.367 C1=CC(=C(C=C1C(=O)CBr)Cl)Cl B123241 [0,1,0,0,0,1|2,0,0]=4 271 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)Cl)Cl T161500 [0,1,0,0,0,1|2,0,0]=4 272 B12R1.367 C1=CC(=C(C=C1C(=O)NN)Cl)Cl D303318 [0,1,0,0,0,1|2,0,0]=4 273 B12R1.367 CC1=C(C=C(C=C1)C(=O)OC)Cl M137275 [0,1,0,0,0,1|2,0,0]=4 274 B12R1.367 CCC(=O)C1=CC(=C(C=C1)Cl)Cl D123482 [0,1,0,0,0,1|2,0,0]=4 275 B12R1.367 COC(=O)C1=CC(=C(C=C1)Br)Cl M158206 [0,1,0,0,0,1|1,1,0]=4 276 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)Br M492116 [0,1,0,0,0,1|1,1,0]=4 277 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)I M588893 [0,1,0,0,0,1|1,1,0]=4 278 B12R1.367 COC(=O)C1=CC(=C(C=C1)Cl)N A135510 [0,1,0,0,0,1|2,0,0]=4 279 B12R1.367 COC(=O)C1=CC(=C(C=C1)F)Cl M183040 [0,1,0,0,0,1|1,1,0]=4 280 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)Cl M137062 [0,1,0,0,0,1|2,0,0]=4 281 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)Cl M123942 [0,1,0,0,0,1|2,0,0]=4 282 B12R1.367 COC(=O)C1=CC(=C(N=C1)Cl)Cl M185220 [0,1,0,0,0,1|1,0,0]=3 283 B12R1.367 COC(=O)C1=NC(=C(C=C1)Br)Cl M586633 [0,1,0,0,0,1|1,1,0]=4 284 B12R1.893 C1=C(C(=C(C(=N1)Cl)F)Cl)C(=O)O D174517 [0,1,0,0,0,1|1,1,0]=4 285 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)Cl)F C123895 [0,1,0,0,0,1|1,1,0]=4 286 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)Cl C191069 [0,1,0,0,0,1|1,1,0]=4 287 B12R1.893 CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl T123265 [0,1,0,0,0,1|2,0,0]=4 288 B12R1.1005 C1=C(C=C(C(=C1Cl)F)Cl)C(=O)O D188928 [0,1,0,0,0,1|1,1,0]=4 289 B12R1.1005 C1=C(C=C(C(=C1Cl)N)Cl)C(=O)O W137280 [0,1,0,0,0,1|2,0,0]=4 290 B12R1.1005 C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O D154843 [0,1,0,0,0,1|2,0,0]=4 291 B12R1.1005 C1=C(C=C(C(=C1F)Cl)F)C(=O)O C586464 [0,1,0,0,0,1|1,1,0]=4 292 B12R1.1005 C1=C(C=C(C(=C1F)F)Cl)C(=O)O C578656 [0,1,0,0,0,1|1,1,0]=4 293 B12R1.1005 CC1=C(C=C(C=C1Cl)C(=O)O)Cl D193188 [0,1,0,0,0,1|2,0,0]=4 294 B12R1.11 COC1=CC(=CC(=C1)C(=O)O)Cl C123898 [0,1,0,0,0,1|2,0,0]=4 295 B12R1.11 COC1=NC(=CC(=C1)C(=O)O)Cl C124761 [0,1,0,0,0,1|2,0,0]=4 296 B12R1.358 CC1=CC(=CC(=N1)Cl)C(=O)OC M157923 [0,1,0,0,0,1|2,0,0]=4 297 B12R1.358 CC1=CC(=NC(=N1)Cl)C(=O)OC M469821 [0,1,0,0,0,1|2,0,0]=4 298 B12R1.358 CCC(=O)C1=CC(=CC(=C1)Cl)Cl D590745 [0,1,0,0,0,1|2,0,0]=4 299 B12R1.358 COC(=O)C1=CC(=CC(=C1)Br)Cl M590764 [0,1,0,0,0,1|1,1,0]=4 300 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)N M588179 [0,1,0,0,0,1|2,0,0]=4 301 B12R1.358 COC(=O)C1=CC(=NC(=C1)Cl)Cl M133439 [0,1,0,0,0,1|1,0,0]=3 302 B12R1.358 COC(=O)C1=CC(=NC(=C1)Cl)N M586106 [0,1,0,0,0,1|2,0,0]=4 303 B12R1.358 COC(=O)C1=NC(=CC(=C1)N)Cl M586724 [0,1,0,0,0,1|2,0,0]=4 304 B12R1.511 C1=C(C=C(C(=C1C(=O)O)Cl)Cl)Cl T170658 [0,1,0,0,0,1|1,0,0]=3 305 B12R1.511 C1=C(C=C(C(=C1C(=O)O)F)Br)Cl B586880 [0,1,0,0,0,1|1,1,0]=4 306 B12R1.511 C1=C(C=C(C(=C1C(=O)O)F)Cl)Br B578683 [0,1,0,0,0,1|1,1,0]=4 307 B12R1.511 C1=C(C=C(C(=C1C(=O)O)N)Br)Cl A589061 [0,1,0,0,0,1|1,1,0]=4 308 B12R1.511 C1=C(C=C(C(=C1C(=O)O)N)Cl)Cl A133776 [0,1,0,0,0,1|1,0,0]=3 309 B12R1.511 C1=C(C=C(C(=C1C(=O)O)O)Cl)Cl D154845 [0,1,0,0,0,1|1,0,0]=3 310 B12R1.511 CC1=CC(=CC(=C1N)C(=O)O)Cl A151591 [0,1,0,0,0,1|2,0,0]=4 311 B12R1.362 COC(=O)C1=C(C(=C(S1)Br)Br)Cl M587348 [0,2,0,0,0,0|0,2,0]=4 312 B10R1.113 C1=C(N=CN=C1Cl)C(=O)O C176296 [0,0,1,1,0,0|2,0,0]=4 313 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O C104330 [0,0,1,1,0,0|2,0,0]=4 314 B10R1.113 C1=CC(=NC(=C1)Cl)C(=O)O C117221 [0,0,1,1,0,0|2,0,0]=4 315 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl C101720 [0,0,1,1,0,0|2,0,0]=4 316 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O C107903 [0,0,1,1,0,0|2,0,0]=4 317 B10R1.118 C1=C(C(=CC(=C1Cl)Cl)Cl)O T105805 [0,0,1,1,0,0|2,0,0]=4 318 B10R1.118 C1=C(C(=CC(=C1Cl)Cl)Cl)S T162377 [0,0,1,1,0,0|2,0,0]=4 319 B10R1.118 C1=C(C(=CC(=C1Cl)Cl)O)N A183425 [0,0,1,1,0,0|2,0,0]=4 320 B12R2.252 C1=CSC2=C1SC(=C2)C(=O)O T162471 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.252 C1C2=C(CS1)SC(=C2)C(=O)O D155813 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.252 C1CC2=C(C1)SC(=C2)C(=O)O D358318 [0,1,0,1,0,0|2,0,0]=4 323 B8R0.2 C(=O)C(=C(C(=O)O)Cl)Cl M158071 [0,0,1,0,1,0|2,0,0]=4 324 B10R1.8 C1=C(C=C(C=C1Cl)Br)C=O B124167 [1,0,0,0,0,1|1,1,0]=4 325 B10R1.8 C1=C(C=C(C=C1Cl)Cl)C=O D100637 [1,0,0,0,0,1|1,0,0]=3 326 B10R1.8 C1=C(C=C(C=C1Cl)Cl)CO D139056 [1,0,0,0,0,1|1,0,1]=4 327 B10R1.8 C1=C(C=C(C=C1F)Cl)C=O C122613 [1,0,0,0,0,1|1,1,0]=4 328 B10R1.8 C1=C(C=C(N=C1Cl)Cl)C=O D467591 [1,0,0,0,0,1|1,0,0]=3 329 B10R1.8 C1=C(C=C(N=C1Cl)Cl)CO D154209 [1,0,0,0,0,1|1,0,1]=4 330 B10R1.54 C1=C(C=NN1CC(=O)O)Cl C192715 [1,0,0,0,0,1|2,0,0]=4 331 B10R1.54 C1=C(SC=C1Br)CC(=O)O B167698 [1,0,0,0,0,1|0,1,0]=3 332 B10R1.54 CC(=O)NC1=NC=C(S1)Cl A168368 [1,0,0,0,0,1|2,0,0]=4 333 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)Cl B590633 [0,0,0,0,0,2|1,1,0]=4 334 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)Cl D113542 [0,0,0,0,0,2|1,0,0]=3 335 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)F C120930 [0,0,0,0,0,2|1,1,0]=4 336 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl D168602 [0,0,0,0,0,2|2,0,0]=4 337 B12R1.101 C1=C(C=C(C=C1F)Cl)CC(=O)O C122854 [0,0,0,0,0,2|1,1,0]=4