0 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 BBL017883 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BBL009297 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.61 NC(=S)C1=CC=CC=C1N BBL018382 [0,0,0,0,0,0|2,1,0]=3 6 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.61 NC1=C(C(=O)O)C=NC=N1 BBL028016 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.61 NC1=CC=CC=C1C(=O)O BBL025605 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.61 NC1=NC=CC=C1C(=O)O BBL001472 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BBL025932 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.61 O=C(O)C1=CC=CN=C1O BBL001459 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.61 O=C(O)C1=CC=CN=C1S BBL005413 [0,0,0,0,0,0|1,1,0]=2 13 B10R1.61 O=C(O)C1=CC=CNC1=O BBL009636 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 BBL000698 [0,0,0,0,0,0|0,0,1]=1 15 B10R1.61 O=[N+]([O-])C1=C(Cl)C=CN=C1 BBL011066 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.61 O=[N+]([O-])C1=CC=CN=C1O BBL011064 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.6 CC(=O)C1=NC=CN=C1 BBL037027 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 N=C(N)C1=CC=NC=C1 BBL013969 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.6 N=C(N)C1=CN=CC=C1 BBL013274 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.6 NC(=S)C1=NC=CC=C1 BBL100340 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.6 O=C(Cl)C1=CC=CN=C1 BBL012969 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 O=C(O)C1=CC=CN=C1 BBL037343 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.6 O=C([O-])C1=NC=CC=C1 BBL033863 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.6 [NH+]1=C(C(=O)Cl)C=CC=C1 BBL035642 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.15 CC1=C(NN)C=CC=C1 BBL007626 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 ClCC1=C(Cl)C=CC=C1 BBL012560 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.15 NC1=CC=CC=C1CO BBL027657 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.15 NC1=NC=CC=C1C=O BBL012800 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.15 NNC1=C(F)C=CC=C1 BBL027973 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.15 NNC1=CC=CC=C1Br BBL012157 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 NNC1=CC=CC=C1I BBL022200 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 O=CC1=CC=CN=C1Cl BBL011559 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.53 CNC1=NC=CC=C1C(=O)O BBL028242 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.53 COC1=C(C(=O)O)C=CC=C1 BBL036896 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.53 COC1=CC=CN=C1[N+](=O)[O-] BBL009976 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.53 COC1=NC=CC=C1C(=O)O BBL011167 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.53 NNC1=CC=CC=C1C(=O)O BBL019027 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 BBL018811 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.53 O=CC1=CC=CC=C1C(=O)O BBL013693 [0,1,0,0,0,0|0,0,1]=2 41 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] BBL023492 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.87 CC1=CC=CC=C1S(=O)(=O)Cl BBL013805 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.87 O=S(=O)(Cl)C1=C(F)C=CC=C1 BBL013801 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.87 O=S(=O)(Cl)C1=CC=CC=C1Cl BBL013789 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.156 O=C(Cl)C1=C(Cl)C=CC=C1Cl BBL027304 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.156 O=C(Cl)C1=C(F)C=CC=C1F BBL027303 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Cl BBL025943 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.156 O=C(O)C1=C(O)C=CC=C1O BBL011022 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.159 CC1=C(C(N)=O)C=CC=C1N BBL025748 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.159 CC1=CC=CC(C(=O)O)=C1O BBL023681 [0,1,0,0,0,0|0,0,0]=1 51 B11R1.159 NC1=C(C)C=CC=C1[N+](=O)[O-] BBL025834 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 BBL018907 [0,1,0,0,0,0|0,0,0]=1 53 B11R1.159 O=C(O)C1=CC=CC(F)=C1F BBL027777 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1F BBL030207 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBL012128 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1Cl BBL027300 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.166 CC(=O)C1=CC=C(N)C=C1O BBL028202 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.166 CC1=C([N+](=O)[O-])C=CC(O)=C1 BBL011500 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 BBL028630 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 BBL011604 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 BBL028336 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.166 CC1=NC(N)=NC=C1C(=O)O BBL011823 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.166 NC(=O)C1=C(Cl)C=C(N)C=C1 BBL031240 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N BBL022498 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.166 NC1=C(C(=O)O)C=NC(S)=N1 BBL028755 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.166 NC1=NC=C(C(=O)O)C(=O)N1 BBL011914 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 BBL011673 [0,1,0,0,0,0|0,0,0]=1 68 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl BBL010102 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.166 O=C(O)C1=CN=C(O)N=C1O BBL012114 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.166 O=C1NC=C(C(=O)O)C(=O)N1 BBL009640 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(O)C=C1 BBL104262 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.166 O=[N+]([O-])C1=CC=C(F)C=C1O BBL011551 [0,1,0,0,0,0|1,0,1]=3 73 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 BBL028124 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBL027378 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.167 CC(=O)C1=CC(N)=CC=C1O BBL028200 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.167 CC1=CC=C(O)C(C(=O)O)=C1 BBL027383 [0,1,0,0,0,0|0,0,0]=1 77 B11R1.167 NC(=O)C1=C(Cl)C=CC(N)=C1 BBL011780 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.167 NC(=O)C1=C(F)C=CC(N)=C1 BBL023456 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.167 NC(=O)C1=CC(Br)=CN=C1Cl BBL032339 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.167 NC(=O)C1=CC(Cl)=CC=C1N BBL018898 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.167 NC1=C(C(=O)O)C=C(O)C=C1 BBL027665 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 BBL027662 [0,1,0,0,0,0|1,0,0]=2 83 B11R1.167 NC1=CC=C(F)C(C(=O)O)=C1 BBL028158 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.167 NC1=CC=C(F)C=C1C(=O)O BBL010568 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.167 NC1=CC=C(I)C=C1C(=O)O BBL027663 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 BBL013046 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O BBL007983 [0,1,0,0,0,0|0,0,0]=1 88 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O BBL009282 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F BBL100255 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.167 O=C(O)C1=CC(I)=CC=C1I BBL035879 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.167 O=C(O)C1=CC(O)=CC=C1O BBL013232 [0,1,0,0,0,0|0,0,0]=1 92 B11R1.167 O=[N+]([O-])C1=CC(Cl)=CC=C1F BBL011053 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BBL008111 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.222 CCC(=O)C1=CC=CC=C1O BBL011846 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 BBL022908 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.222 CNC(=O)C1=CC=CC=C1O BBL010949 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.222 COC(=O)C1=CC=CC=C1O BBL010504 [0,1,0,0,0,0|0,0,0]=1 98 B11R1.222 COC(=O)C1=NC=CN=C1N BBL027773 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 BBL023001 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 BBL008389 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.222 NNC(=O)C1=C(N)C=CC=C1 BBL008412 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 BBL008416 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.222 NNC(=O)C1=CC=CC=C1Cl BBL008395 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.222 NNC(=O)C1=CC=CC=C1I BBL014372 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.222 N\C(=N/O)C1=C(Cl)C=CC=C1 BBL005511 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.222 N\C(=N\O)C1=CC=CC=C1F BBL005589 [0,1,0,0,0,0|2,0,0]=3 107 B11R2.1 ClC1=NSC2=C1C=CC=C2 BBL010761 [0,0,0,1,0,0|2,1,0]=4 108 B9R1.41 CC1=NNC=C1C(=O)O BBL011874 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.41 NC(=O)C1=C(N)SC=C1 BBL013529 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.41 NC1=C(C(=O)O)C=NN1 BBL018009 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.41 O=C(O)C1=C(I)C=NN1 BBL016065 [0,0,0,0,1,0|3,0,0]=4 112 B11R1.86 CC(=O)NC1=CC=CC=C1N BBL002386 [0,0,0,0,0,1|2,0,0]=3 113 B11R1.86 CC1=CC=CC=C1NC(N)=S BBL027968 [0,0,0,0,0,1|2,1,0]=4 114 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [0,0,0,0,0,1|1,0,0]=2 115 B11R1.86 NC(=S)NC1=CC=CC=C1O BBL008029 [0,0,0,0,0,1|1,1,0]=3 116 B11R1.86 O=C(O)CN1C=CC=CC1=O BBL010063 [0,0,0,0,0,1|1,0,1]=3 117 B8R1.2 C=CC1=CC=CC=N1 BBL027578 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.2 C=CC1=CC=NC=C1 BBL027584 [2,0,0,0,0,0|2,0,0]=4 119 B8R1.2 NNC1=CC=CC=C1 BBL011601 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.2 O=CC1=CC=CC=N1 BBL027574 [2,0,0,0,0,0|1,0,0]=3 121 B8R1.2 O=CC1=CC=NC=C1 BBL025920 [2,0,0,0,0,0|1,0,0]=3 122 B8R1.2 OCC1=CC=CC=C1 BBL011938 [2,0,0,0,0,0|0,0,1]=3 123 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [2,0,0,0,0,0|1,0,1]=4 124 B8R1.5 NC1=C(I)C=CC=C1 BBL011389 [2,0,0,0,0,0|2,0,0]=4 125 B8R1.5 NC1=C(O)C=CC=N1 BBL009590 [2,0,0,0,0,0|2,0,0]=4 126 B8R1.5 NC1=C(O)C=CN=C1 BBL011065 [2,0,0,0,0,0|2,0,0]=4 127 B8R1.5 OC1=C(O)N=CC=C1 BBL027572 [2,0,0,0,0,0|1,0,0]=3 128 B8R1.5 OC1=CC=CN=C1Br BBL013305 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BBL027306 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.13 CC1=CC=C(C(N)=O)C=N1 BBL100086 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BBL013947 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BBL007616 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BBL011581 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BBL010014 [1,1,0,0,0,0|1,1,0]=4 136 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BBL018585 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BBL011385 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBL011981 [1,1,0,0,0,0|0,0,0]=2 139 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BBL001444 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BBL009090 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BBL015079 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=C1 BBL013182 [1,1,0,0,0,0|1,0,1]=4 143 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 BBL027638 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [1,1,0,0,0,0|0,0,0]=2 146 B10R1.15 C\C(=N/O)C1=CC=NC=C1 BBL039596 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.15 C\C(=N/O)C1=CN=CC=C1 BBL036784 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.15 NNC(=O)C1=CC=NC=C1 BBL008409 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.15 NNC(=O)C1=CN=CC=C1 BBL003565 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.15 NNC(=O)C1=NC=CC=C1 BBL003530 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BBL005528 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.15 N\C(=N/O)C1=CC=NC=C1 BBL005294 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.15 N\C(=N/O)C1=CN=CC=C1 BBL005295 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.15 N\C(=N/O)C1=NC=CC=C1 BBL005610 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.113 CC(=O)C1=CC=CC(O)=C1 BBL010535 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.113 CC1=CC=CC(C(=O)O)=N1 BBL023748 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 BBL028416 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BBL027669 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BBL028889 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BBL011806 [1,1,0,0,0,0|1,0,0]=3 163 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BBL037339 [1,1,0,0,0,0|0,0,0]=2 164 B10R1.113 NC1=NC=CC(C(=O)O)=C1 BBL009435 [1,1,0,0,0,0|1,0,0]=3 165 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 BBL025793 [1,1,0,0,0,0|0,0,0]=2 166 B10R1.113 O=C(O)C1=CC(O)=CC=C1 BBL011983 [1,1,0,0,0,0|0,0,0]=2 167 B10R1.113 O=C(O)C1=CC(O)=CN=C1 BBL010930 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.113 O=C(O)C1=CC=C[N+]([O-])=C1 BBL012227 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BBL010816 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.2 O=CC1=C(O)C(O)=CC=C1 BBL000528 [1,1,0,0,0,0|0,0,0]=2 171 B10R1.2 O=CC1=CC=CC(Cl)=C1F BBL036949 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.4 O=C=NC1=CC=CC=C1Br BBL037642 [1,1,0,0,0,0|1,0,1]=4 174 B10R1.4 O\N=C\C1=C(O)C=CC=C1 BBL013317 [1,1,0,0,0,0|0,0,0]=2 175 B10R1.20 COC1=CC=CC=C1CN BBL027680 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.20 COC1=CC=CC=C1NN BBL022185 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.20 O=CC1=CC=CC=C1C=O BBL027435 [1,1,0,0,0,0|0,0,1]=3 178 B10R1.20 [NH3+]NC1=C(OC)C=CC=C1 BBL002895 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 BBL028278 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.25 O=CC1=CC=C(Br)C=C1F BBL011909 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.25 O=CC1=CC=C(O)C=C1O BBL012171 [1,1,0,0,0,0|0,0,0]=2 182 B10R1.30 O=CC1=C(Br)C=CC(O)=C1 BBL104269 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.30 O=CC1=C(F)C=CC(Br)=C1 BBL013072 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.30 O=CC1=C(F)C=CC(Cl)=C1 BBL029881 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.245 O=CC1=C(Cl)C=CC=C1Cl BBL023680 [1,1,0,0,0,0|1,0,0]=3 186 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 BBL012869 [0,1,0,0,1,0|2,0,0]=4 187 B10R1.59 CC1=CC(C(=O)O)=C(C)O1 BBL014473 [0,1,0,0,1,0|2,0,0]=4 188 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 BBL015798 [0,1,0,0,1,0|2,0,0]=4 189 B10R1.59 CN1C=C(Br)C=C1C(=O)O BBL030879 [0,1,0,0,1,0|2,0,0]=4 190 B10R1.59 CN1C=C(Cl)C=C1C(=O)O BBL025924 [0,1,0,0,1,0|2,0,0]=4 191 B10R1.59 O=C(O)C1=C(Br)C=C(Br)S1 BBL100128 [0,1,0,0,1,0|2,0,0]=4 192 B10R1.149 COC(=O)C1=C(C)OC=C1 BBL011396 [0,1,0,0,1,0|2,0,0]=4 193 B10R1.149 COC(=O)C1=C(N)C=CS1 BBL010101 [0,1,0,0,1,0|2,0,0]=4 194 B10R1.149 COC(=O)C1=C(N)SC=C1 BBL016875 [0,1,0,0,1,0|2,0,0]=4 195 B10R1.149 COC(=O)C1=C(O)C=CS1 BBL040724 [0,1,0,0,1,0|1,0,0]=3 196 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 BBL016567 [0,1,0,0,1,0|2,0,0]=4 197 B12R1.75 COC1=CC=CC=C1CC(C)=O BBL027726 [0,1,0,0,0,1|1,0,0]=3 198 B12R1.124 CC1=C(C(N)C(=O)O)C=CC=C1 BBL022169 [0,1,0,0,0,1|1,0,0]=3 199 B12R1.124 NC(C(=O)O)C1=C(Cl)C=CC=C1 BBL022164 [0,1,0,0,0,1|1,0,0]=3 200 B12R1.124 NC(C(=O)O)C1=C(F)C=CC=C1 BBL022165 [0,1,0,0,0,1|1,0,0]=3 201 B12R1.127 CC(=O)NC1=C(Cl)C=CC(N)=C1 BBL031068 [0,1,0,0,0,1|2,0,0]=4 202 B12R1.127 CC(=O)NC1=CC(N)=CC=C1C BBL023483 [0,1,0,0,0,1|2,0,0]=4 203 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O BBL032135 [0,1,0,0,0,1|1,0,0]=3 204 B12R1.127 CC1=CC=C(Cl)C(CC(=O)O)=C1 BBL020349 [0,1,0,0,0,1|1,0,0]=3 205 B12R1.127 NC(=S)NC1=CC(Cl)=CC=C1O BBL023773 [0,1,0,0,0,1|1,1,0]=4 206 B12R1.224 CC1=C(Cl)C=CC=C1NC(N)=O BBL004957 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N BBL002359 [0,1,0,0,0,1|2,0,0]=4 208 B12R1.233 CC(=O)NC1=CC=C(N)C=C1Cl BBL034240 [0,1,0,0,0,1|2,0,0]=4 209 B12R1.233 CC1=CC(C)=C(CC(=O)O)C=C1 BBL002053 [0,1,0,0,0,1|1,0,0]=3 210 B12R1.233 CC1=NC(O)=C(CC(=O)O)C=N1 BBL033153 [0,1,0,0,0,1|2,0,0]=4 211 B12R1.233 NC1=NC=C(CC(=O)O)C(O)=N1 BBL012834 [0,1,0,0,0,1|2,0,0]=4 212 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl BBL011217 [0,1,0,0,0,1|2,0,0]=4 213 B12R1.371 NNC(=O)CC1=CC=CC=C1Cl BBL017353 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.371 O=C(CCl)NC1=CC=CC=C1Br BBL013421 [0,1,0,0,0,1|2,0,0]=4 215 B12R1.371 O=C(CCl)NC1=CC=CC=C1I BBL029683 [0,1,0,0,0,1|2,0,0]=4 216 B12R1.46 COC1=C(C(=O)O)C=C(Br)C=C1 BBL023200 [0,2,0,0,0,0|0,0,0]=2 217 B12R1.46 COC1=CC=C(N)C=C1[N+](=O)[O-] BBL002666 [0,2,0,0,0,0|1,0,1]=4 218 B12R1.77 CNC1=CC=CC=C1C(=O)OC BBL027832 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.77 COC(=O)C1=CC=CC=C1OC BBL010503 [0,2,0,0,0,0|0,0,0]=2 220 B12R1.77 COC1=C(\C(N)=N\O)C=CC=C1 BBL005595 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.87 COC1=C(C(=O)Cl)C=CC=C1C BBL012044 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.87 COC1=C(C(=O)O)C=CC=C1C BBL002640 [0,2,0,0,0,0|0,0,0]=2 223 B12R1.261 NC(=O)C1=C(C(N)=O)C=CC=C1 BBL011578 [0,2,0,0,0,0|1,0,1]=4 224 B12R1.261 O=C(O)C1=C(C(=O)O)C=NC=C1 BBL010076 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.261 O=C(O)C1=CC=CN=C1C(=O)O BBL007601 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.261 O=C(O)C1=NC=CN=C1C(=O)O BBL010075 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.261 O=C([O-])C1=C(C(=O)[O-])C=CC=C1 BBL002898 [0,2,0,0,0,0|0,0,2]=4 228 B12R1.283 CCOC1=NC=CC=C1C(=O)O BBL000650 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 BBL000357 [0,2,0,0,0,0|0,1,0]=3 230 B12R1.283 O=CNC1=C(C(=O)O)C=CC=C1 BBL023279 [0,2,0,0,0,0|0,0,1]=3 231 B12R1.1000 CC1=C(C(=O)O)C(=O)NC(O)=C1 BBL030537 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.1000 CC1=CC(=O)OC(C)=C1C(=O)O BBL027895 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(=O)N1 BBL009849 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.24 CC1=C(O)C(C(=O)NN)=CC=C1 BBL016688 [0,2,0,0,0,0|1,0,0]=3 235 B12R1.24 NNC(=O)C1=C(Cl)C(Cl)=CC=C1 BBL016661 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.440 COC1=CC=CC(C(=O)O)=C1O BBL027382 [0,2,0,0,0,0|0,0,0]=2 237 B12R1.440 O=CC1=C(O)C([N+](=O)[O-])=CC=C1 BBL023464 [0,2,0,0,0,0|1,0,1]=4 238 B12R1.511 CC(=O)C1=CC(Cl)=CC(Cl)=C1O BBL027817 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.511 CC1=CC(Br)=CC(C(=O)O)=C1O BBL035884 [0,2,0,0,0,0|0,0,0]=2 240 B12R1.511 CC1=CC(Cl)=CC(C(=O)O)=C1O BBL025784 [0,2,0,0,0,0|0,0,0]=2 241 B12R1.511 CC1=CC(N)=CC(C(=O)O)=C1O BBL018961 [0,2,0,0,0,0|0,0,0]=2 242 B12R1.511 NC(=O)C1=C(Cl)C(Br)=CC(Br)=C1 BBL009492 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.511 NC1=C(Br)C=C(Br)C=C1C(=O)O BBL018502 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.511 NC1=C(Cl)C=C(Cl)C=C1C(=O)O BBL009789 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.511 NC1=C(I)C=C(I)C=C1C(=O)O BBL023538 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.511 O=C(O)C1=C(O)C(Cl)=CC(Cl)=C1 BBL025712 [0,2,0,0,0,0|0,0,0]=2 247 B12R1.511 O=C(O)C1=CC(Br)=CC(Br)=C1Cl BBL023216 [0,2,0,0,0,0|1,0,0]=3 248 B12R1.511 O=C(O)C1=CC(Cl)=CC(Cl)=C1Br BBL009479 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.511 O=C(O)C1=CC(Cl)=CC(I)=C1O BBL028813 [0,2,0,0,0,0|0,0,0]=2 250 B12R1.511 O=C(O)C1=CC(I)=CC(I)=C1I BBL014157 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.893 CC(=O)C1=CC=C(Cl)C(Cl)=C1Cl BBL011536 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.893 CC(=O)C1=CC=C(O)C(O)=C1O BBL027373 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.893 CC1=C(C)C(O)=C(C(=O)O)C=C1 BBL023509 [0,2,0,0,0,0|0,0,0]=2 254 B12R1.893 CC1=CC=C(C(=O)O)C(=O)N1C BBL012422 [0,2,0,0,0,0|1,0,1]=4 255 B12R1.893 O=C(Cl)C1=CC=C(F)C(F)=C1F BBL028148 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.893 O=C(O)C1=C(F)C(F)=C(F)C=C1 BBL011834 [0,2,0,0,0,0|1,0,0]=3 257 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(=O)N1 BBL035138 [0,2,0,0,0,0|1,0,1]=4 258 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1C BBL018906 [0,2,0,0,0,0|0,0,0]=2 259 B12R1.232 CC1=CC(O)=C([N+](=O)[O-])C=C1C BBL022755 [0,2,0,0,0,0|1,0,1]=4 260 B12R1.232 NC1=C(Cl)C=C(Cl)C(C(=O)O)=C1 BBL008105 [0,2,0,0,0,0|1,0,0]=3 261 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 BBL011052 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 BBL012127 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 BBL034248 [0,2,0,0,0,0|1,0,1]=4 264 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 BBL011783 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 BBL036382 [0,2,0,0,0,0|0,0,0]=2 266 B12R1.1703 NNC(=O)C1=C(Cl)C=C(Cl)C=C1 BBL022915 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O BBL017863 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.1703 NNC(=O)C1=CC=C(O)C=C1O BBL015199 [0,2,0,0,0,0|1,0,0]=3 269 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O BBL011800 [0,2,0,0,0,0|1,0,0]=3 270 B12R1.354 CCC(=O)C1=CC(C)=CC=C1C BBL036405 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.354 CNC(=O)C1=C(Cl)C=CC(N)=C1 BBL011781 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.354 CNC(=O)C1=CC(N)=CC=C1F BBL031627 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=N1 BBL028362 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 BBL013231 [0,2,0,0,0,0|0,0,0]=2 275 B12R1.354 COC(=O)C1=CC(Br)=CC=C1N BBL019638 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O BBL100200 [0,2,0,0,0,0|0,0,0]=2 277 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Cl BBL011233 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.354 NNC(=O)C1=C(Cl)C=CC(Br)=C1 BBL016625 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.354 NNC(=O)C1=C(O)C=CC(Br)=C1 BBL013909 [0,2,0,0,0,0|1,0,0]=3 280 B12R1.354 NNC(=O)C1=C(O)C=CC(Cl)=C1 BBL015495 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.354 NNC(=O)C1=CC(O)=CC=C1O BBL016326 [0,2,0,0,0,0|1,0,0]=3 282 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 BBL011791 [0,2,0,0,0,0|1,0,0]=3 283 B12R1.453 COC1=CC=C(O)C(C(=O)O)=C1 BBL012998 [0,2,0,0,0,0|0,0,0]=2 284 B12R1.453 NNC1=CC=C(Cl)C(C(=O)O)=C1 BBL025718 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.453 O=CC1=CC=C(O)C([N+](=O)[O-])=C1 BBL023246 [0,2,0,0,0,0|1,0,1]=4 286 B12R1.308 CCOC(=O)C1=CC=CC=C1N BBL027654 [0,2,0,0,0,0|1,0,0]=3 287 B10R1.10 O\N=C\C1=CC(O)=CC=C1 BBL023045 [0,0,1,1,0,0|2,0,0]=4 288 B10R1.66 O=C(Cl)\C=C\C1=CC=CO1 BBL037199 [0,0,1,1,0,0|1,0,0]=3 289 B10R1.66 O=C(O)CCC1=CC=CO1 BBL027515 [0,0,1,1,0,0|0,0,2]=4 290 B10R1.66 O=C(O)\C=C\C1=CC=CO1 BBL023478 [0,0,1,1,0,0|0,0,0]=2 291 B10R1.66 O=C(O)\C=C\C1=CC=CS1 BBL037013 [0,0,1,1,0,0|0,1,0]=3 292 B10R1.66 O=C(O)\C=C\C1=CNC=N1 BBL027507 [0,0,1,1,0,0|2,0,0]=4 293 B10R1.31 C=CN1C=C(C(=O)O)C=N1 BBL032186 [0,0,1,1,0,0|2,0,0]=4 294 B10R2.7 C1=CC2=C(C=C1)NC=C2 BBL011739 [1,0,0,1,0,0|2,0,0]=4 295 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,0,0,1,0,1|2,0,0]=4 296 B12R2.1081 O=C1CCCC2=CC=CC=C12 BBL027352 [0,1,0,1,0,0|2,0,0]=4 297 B12R2.1081 O=C1NN=CC2=CC=CC=C12 BBL023000 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 BBL011611 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 BBL037023 [0,1,0,1,0,0|1,0,1]=4 300 B12R2.2028 O=C1OC(=O)C2=C1C=CC=N2 BBL011094 [0,1,0,1,0,0|1,0,1]=4 301 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 BBL030378 [0,1,0,1,0,0|2,0,0]=4 302 B12R2.612 O=C1COC2=CC(O)=CC=C12 BBL028131 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [1,0,0,0,1,0|2,0,0]=4 304 B8R1.7 O=C(Cl)C1=CC=CS1 BBL011388 [1,0,0,0,1,0|2,0,0]=4 305 B8R1.7 O=C(O)C1=CC=CO1 BBL009679 [1,0,0,0,1,0|1,0,0]=3 306 B8R1.7 O=C(O)C1=CNN=C1 BBL104304 [1,0,0,0,1,0|2,0,0]=4 307 B8R1.7 O=C(O)C1=COC=C1 BBL025800 [1,0,0,0,1,0|1,0,0]=3 308 B8R1.11 CN1C=CC=C1C=O BBL001423 [1,0,0,0,1,0|2,0,0]=4 309 B12R1.125 CC1=C(NCC(=O)O)C=CC=C1 BBL038113 [0,0,0,0,0,2|1,0,0]=3 310 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 BBL023122 [0,0,0,0,0,2|1,0,0]=3 311 B12R1.125 CC1=CC=CC=C1OCC(=O)Cl BBL014862 [0,0,0,0,0,2|2,0,0]=4 312 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BBL015052 [0,0,0,0,0,2|2,0,0]=4 313 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O BBL013455 [0,0,0,0,0,2|1,0,0]=3 314 B12R1.125 O=C(Cl)COC1=C(Cl)C=CC=C1 BBL014866 [0,0,0,0,0,2|2,0,0]=4 315 B12R1.125 O=C(Cl)COC1=CC=CC=C1Br BBL014872 [0,0,0,0,0,2|2,0,0]=4 316 B12R1.125 O=C(Cl)COC1=CC=CC=C1F BBL014493 [0,0,0,0,0,2|2,0,0]=4 317 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BBL015050 [0,0,0,0,0,2|2,0,0]=4 318 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BBL015047 [0,0,0,0,0,2|2,0,0]=4 319 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [0,0,0,0,0,2|1,0,0]=3 320 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [0,0,0,0,0,2|1,0,0]=3 321 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 BBL027394 [0,0,0,0,0,2|1,0,0]=3 322 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 BBL013547 [0,0,0,0,0,2|1,0,0]=3 323 B12R1.125 O=C(O)COC1=CC=CC=C1Cl BBL012541 [0,0,0,0,0,2|1,0,0]=3 324 B12R1.125 O=C(O)COC1=CC=CC=C1F BBL013906 [0,0,0,0,0,2|1,0,0]=3 325 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 BBL017155 [0,0,0,0,0,2|1,0,0]=3 326 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BBL016304 [0,0,0,0,0,2|1,0,0]=3 327 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BBL013048 [0,0,0,0,0,2|0,0,0]=2 328 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BBL036324 [0,0,0,0,0,2|1,0,0]=3