0 B9R1.6 NC(=S)C1=CC=CN=C1 20784 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 O=C(O)C1=CC=CN=C1 20778 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 NCC1=NC=CC=C1 21601 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.13 CC(=O)C1=CNC(=O)CC1 13376 [0,1,0,0,0,0|1,0,2]=4 5 B10R1.13 CC1=CC=C(C(=O)O)C=C1 15778 [0,1,0,0,0,0|1,0,0]=2 6 B10R1.13 CN(C)C1=CC=C(F)C=C1 102911 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 20768 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.13 O=C(O)C1=CC=C(F)C=C1 101191 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.13 O=C(O)C1=CC=C(F)C=N1 100749 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 O=C(O)C1=CC=C(O)C=C1 15302 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.13 O=C(O)C1=CN=C(F)C=C1 100678 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 101615 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 20068 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [0,1,0,0,0,0|0,0,1]=2 15 B10R1.15 CC(C#N)C1=CC=CC=C1 14750 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.15 C\C(=N/O)C1=CC=CC=C1 16747 [0,1,0,0,0,0|0,0,1]=2 19 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [0,1,0,0,0,0|0,0,2]=3 21 B10R1.15 N\C(=N\O)C1=CC=CC=C1 12254 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [0,1,0,0,0,0|0,0,0]=1 23 B10R1.15 OCC(O)C1=CC=CC=C1 731 [0,1,0,0,0,0|0,0,2]=3 24 B10R1.15 O\N=C(\O)C1=CC=CC=C1 12250 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15747 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.61 CC1=C(C(=O)O)C=NC=C1 15765 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.61 CC1=C(C(N)=O)C=NC=C1 15751 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.61 CC1=CC=CC=C1C(=O)Br 16795 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.61 CN(C)C1=C(F)C=CC=C1 102910 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.61 N1C=CC=C([N+](=O)[O-])C1=O 20547 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.61 NC(=O)C1=CC=CC=C1F 102470 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.61 NC(=O)C1=CC=CC=C1I 10354 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.61 NC1=CC=CC=C1C(=O)O 22066 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 101190 [0,1,0,0,0,0|1,0,0]=2 35 B10R1.61 O=C(O)C1=C(F)C=CC=N1 100687 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.61 O=C(O)C1=C(F)C=NC=C1 100632 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.61 O=C(O)C1=C(F)N=CC=C1 100686 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.61 O=C(O)C1=C(O)C=CC=C1 15776 [0,1,0,0,0,0|1,0,0]=2 39 B10R1.61 O=C(O)C1=CC=CC=C1F 100197 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.61 O=C(O)C1=CC=NC=C1Cl 100086 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 20069 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.61 O=[N+]([O-])C1=C(O)C=CN=C1 22072 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.113 CN(C)C1=CC(Cl)=NC=C1 101250 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.113 CN(C)C1=CC(F)=CC=C1 102890 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.113 CN(C)C1=CC(F)=NC=C1 101266 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.113 CN(C)C1=CC=CC(Cl)=N1 102381 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.113 CN(C)C1=CC=CC(F)=N1 102380 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 15663 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.113 NC(=O)C1=CC=CC(F)=C1 102469 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.113 O=C(O)C1=CC(F)=NC=C1 100685 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.113 O=C(O)C1=CC(O)=CC=C1 18167 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.113 O=C(O)C1=CC=CC(F)=N1 100675 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.113 O=C(O)C1=CN=CC(F)=C1 100682 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.7 C\C=C\C=C\C=C(C)C 102628 [0,0,1,0,0,0|1,0,1]=3 55 B10R2.320 CC1CC2=CC=CC=C21 16579 [0,0,0,1,0,0|1,0,1]=3 56 B10R2.320 ClC1CC2=CC=CC=C21 16435 [0,0,0,1,0,0|1,0,1]=3 57 B10R2.320 O=C1CC2=CC=CC=C12 16218 [0,0,0,1,0,0|0,0,0]=1 58 B10R2.320 OC1CC2=CC=CC=C21 16154 [0,0,0,1,0,0|0,0,2]=3 59 B10R2.320 [NH3+]C1CC2=CC=CC=C21 16601 [0,0,0,1,0,0|1,0,1]=3 60 B8R1.7 NC(=O)C1=CC=CO1 16899 [0,0,0,0,1,0|2,0,0]=3 61 B8R1.7 O=C(O)C1=CN=CN1 21322 [0,0,0,0,1,0|3,0,0]=4 62 B8R1.7 O=C(O)C1=CNN=C1 21414 [0,0,0,0,1,0|3,0,0]=4 63 B8R1.7 O=C(O)C1=CSC=C1 1212 [0,0,0,0,1,0|2,0,0]=3 64 B10R1.18 BrC(Br)=CC1=CC=CC=C1 12060 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [0,0,0,0,0,1|0,0,0]=1 66 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [0,0,0,0,0,1|0,0,0]=1 67 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [0,0,0,0,0,1|2,0,0]=3 68 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [0,0,0,0,0,1|1,0,0]=2 69 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [0,0,0,0,0,1|1,0,0]=2 70 B7R1.3 IC1=CC=CC=C1 102614 [2,0,0,0,0,0|1,0,0]=3 71 B7R1.3 [NH+]1=CC=C(Cl)C=C1 101445 [2,0,0,0,0,0|2,0,0]=4 72 B9R0.55 CC(C)=C\C=C/C=C(C)C 102673 [0,1,1,0,0,0|1,0,1]=4 73 B9R0.55 CC(C)=C\C=C\C=C(C)C 103197 [0,1,1,0,0,0|1,0,1]=4 74 B9R1.1 FC1=CC=C(CBr)C=C1 102290 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.1 NC1=CC=C(C=O)C=C1 15833 [1,1,0,0,0,0|0,0,0]=2 76 B9R1.1 O=CC1=CC=C(O)C=C1 15844 [1,1,0,0,0,0|0,0,0]=2 77 B9R1.1 O=NC1=CC=C(Br)C=C1 18679 [1,1,0,0,0,0|1,0,0]=3 78 B9R1.2 CNC1=CC=CC(F)=N1 101262 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.2 COC1=CC=CC(F)=N1 102386 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.2 NCC1=CC=CC(Cl)=C1 102537 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.2 NCC1=CC=CC(N)=C1 102876 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.2 [NH3+]CC1=CC=CC(Cl)=C1 102479 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.2 [NH3+]CC1=CC=CC(O)=C1 102221 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [1,1,0,0,0,0|0,0,1]=3 85 B9R1.8 COCC1=CC=CC=C1 102522 [1,1,0,0,0,0|0,0,1]=3 86 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [1,1,0,0,0,0|0,0,0]=2 87 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [1,1,0,0,0,0|0,0,1]=3 88 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [1,1,0,0,0,0|0,0,1]=3 89 B9R1.8 NCCC1=CC=CC=C1 11614 [1,1,0,0,0,0|0,0,1]=3 90 B9R1.8 NCCC1=CC=CC=C1 12328 [1,1,0,0,0,0|0,0,1]=3 91 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [1,1,0,0,0,0|0,0,1]=3 93 B9R1.15 CC1=CC=CC=C1CCl 16097 [1,1,0,0,0,0|1,0,1]=4 94 B9R1.15 NCC1=C(O)C=CC=C1 103068 [1,1,0,0,0,0|1,0,1]=4 95 B9R1.15 O=CC1=C(Cl)C=CC=C1 15855 [1,1,0,0,0,0|0,0,0]=2 96 B9R1.15 O=CC1=CC=CC=C1O 20957 [1,1,0,0,0,0|0,0,0]=2 97 B9R1.11 NNC(=O)C1=CC=CO1 517 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 15704 [0,1,0,0,0,1|0,0,0]=2 99 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [0,1,0,0,0,1|1,0,1]=4 100 B11R1.20 N(C(C)=O)C1=NC=C(Cl)C=C1 20662 [0,1,0,0,0,1|1,0,0]=3 101 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 532 [0,1,0,0,0,1|1,0,0]=3 102 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [0,1,0,0,0,1|1,0,0]=3 103 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [0,1,0,0,0,1|1,0,0]=3 104 B11R1.36 CC(C)C(C)C1=CC=CC=C1 15777 [0,1,0,0,0,1|1,0,1]=4 105 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 19771 [0,1,0,0,0,1|1,0,0]=3 106 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 102534 [0,1,0,0,0,1|1,0,0]=3 107 B11R1.36 [NH3+]C(C(=O)O)C1=CC=CC=C1 102467 [0,1,0,0,0,1|1,0,0]=3 108 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [0,1,0,0,0,1|1,0,0]=3 109 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [0,1,0,0,0,1|1,0,0]=3 110 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [0,1,0,0,0,1|0,1,0]=3 111 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [0,1,0,0,0,1|1,0,1]=4 112 B11R1.86 CC(=O)NC1=CC=CC=C1Br 17116 [0,1,0,0,0,1|0,0,0]=2 113 B11R1.86 CC(=O)NC1=CC=CC=C1Cl 17122 [0,1,0,0,0,1|0,0,0]=2 114 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 102170 [0,1,0,0,0,1|1,0,0]=3 115 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20759 [0,1,0,0,0,1|1,0,0]=3 116 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 102178 [0,1,0,0,0,1|1,0,0]=3 117 B11R1.86 O=C(O)CC1=CC=CC=C1O 19282 [0,1,0,0,0,1|1,0,0]=3 118 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 17121 [0,1,0,0,0,1|0,0,0]=2 119 B11R1.157 N(C(C)=O)C1=NC(C)=CC=C1 20549 [0,1,0,0,0,1|1,0,0]=3 120 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 102173 [0,1,0,0,0,1|1,0,0]=3 121 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 102158 [0,1,0,0,0,1|1,0,0]=3 122 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 102175 [0,1,0,0,0,1|1,0,0]=3 123 B11R1.509 O=S(=O)(Cl)OC1=CC=CC=C1 100229 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 20763 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.3 C#CC1=CC=C([N+](=O)[O-])C=C1 1222 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.3 C=CC1=CC=C([N+](=O)[O-])C=C1 13491 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.3 CCC1=CC=C(C(=O)Cl)C=C1 17245 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.3 CN(C)C1=CC=C(C=O)C=C1 12242 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.3 O=C(Cl)C1=CC=C(CBr)C=C1 22026 [0,2,0,0,0,0|1,0,0]=3 130 B11R1.3 O=C(O)C1=CC=C([Hg]Cl)C=C1 20772 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 19129 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=C1 19128 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.19 C[Si](C)(C)C1=CC=C(F)C=C1 101954 [0,2,0,0,0,0|1,1,0]=4 134 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 14449 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.21 NC1=CC([N+](=O)[O-])=CC=C1Cl 19139 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.21 NC1=CC([N+](=O)[O-])=CC=C1F 19138 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.21 O=C(O)C1=CC=C(Cl)C(F)=N1 100669 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 100748 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.21 O=C(O)C1=CC=C(F)C(F)=N1 100666 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 21496 [0,2,0,0,0,0|1,0,0]=3 141 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 100661 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.22 CC1=CC=C(C(C)CBr)C=C1 102694 [0,2,0,0,0,0|1,0,1]=4 143 B11R1.22 FC(CBr)C1=CC=C(Cl)C=C1 100184 [0,2,0,0,0,0|1,0,1]=4 144 B11R1.22 ON=C(Cl)C1=CC=C(Cl)C=C1 20114 [0,2,0,0,0,0|1,0,1]=4 145 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 102172 [0,2,0,0,0,0|1,0,0]=3 146 B11R1.166 CC1=CC=C(C(=O)Cl)C(C)=C1 16799 [0,2,0,0,0,0|1,0,0]=3 147 B11R1.166 CC1=CC=C(C(=O)O)C(C)=C1 15222 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.166 NC1=C([N+](=O)[O-])C=CC(Cl)=C1 20382 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 100668 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 101300 [0,2,0,0,0,0|1,0,0]=3 151 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=N1 100667 [0,2,0,0,0,0|2,0,0]=4 152 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 101178 [0,2,0,0,0,0|1,0,0]=3 153 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1O 101171 [0,2,0,0,0,0|1,0,0]=3 154 B11R1.166 O=C(O)C1=CC=C(F)C=C1F 102048 [0,2,0,0,0,0|1,0,0]=3 155 B11R1.166 O=C(O)C1=CC=C(F)N=C1F 100238 [0,2,0,0,0,0|2,0,0]=4 156 B11R1.166 O=C(O)C1=CC=C(I)C=C1F 102972 [0,2,0,0,0,0|1,0,0]=3 157 B11R1.166 O=C(O)C1=CC=C(O)C=C1Cl 101155 [0,2,0,0,0,0|1,0,0]=3 158 B11R1.166 O=C(O)C1=CC=C(O)C=C1F 101158 [0,2,0,0,0,0|1,0,0]=3 159 B11R1.166 O=C(O)C1=CN=C(F)C=C1F 100664 [0,2,0,0,0,0|2,0,0]=4 160 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl 100084 [0,2,0,0,0,0|2,0,0]=4 161 B11R1.7 CC(F)(C#N)C1=CC=CC=C1 100861 [0,2,0,0,0,0|1,0,1]=4 162 B11R1.7 FC(F)(CBr)C1=CC=CC=C1 102659 [0,2,0,0,0,0|1,0,1]=4 163 B11R1.16 C=CCC(O)C1=CC=CC=C1 19554 [0,2,0,0,0,0|0,0,2]=4 164 B11R1.16 CN(NC=O)C1=CC=CC=C1 16420 [0,2,0,0,0,0|1,0,0]=3 165 B11R1.16 N#CCC(=O)C1=CC=CC=C1 502 [0,2,0,0,0,0|0,0,0]=2 166 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12193 [0,2,0,0,0,0|0,0,1]=3 167 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12194 [0,2,0,0,0,0|0,0,1]=3 168 B11R1.16 OCCC(O)C1=CC=CC=C1 12195 [0,2,0,0,0,0|0,0,2]=4 169 B11R1.222 CC1=C(C(=O)NN)C=NC=C1 15756 [0,2,0,0,0,0|2,0,0]=4 170 B11R1.222 COC(=O)C1=NC=CC=C1F 100739 [0,2,0,0,0,0|1,0,0]=3 171 B11R1.222 O\N=C(\O)C1=C(O)C=CC=C1 12260 [0,2,0,0,0,0|1,0,1]=4 172 B11R1.87 CC(C)(O)C1=CC=CC=C1F 102035 [0,2,0,0,0,0|0,0,2]=4 173 B11R1.87 C[Si](C)(C)C1=C(Cl)C=CC=C1 100918 [0,2,0,0,0,0|1,1,0]=4 174 B11R1.87 C[Si](C)(C)C1=C(F)C=CC=C1 100822 [0,2,0,0,0,0|1,1,0]=4 175 B11R1.156 CC1=CC=CC(O)=C1C(=O)O 15231 [0,2,0,0,0,0|1,0,0]=3 176 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Br 100202 [0,2,0,0,0,0|1,0,0]=3 177 B11R1.156 O=C(O)C1=C(Br)C=CC=C1Cl 101421 [0,2,0,0,0,0|1,0,0]=3 178 B11R1.156 O=C(O)C1=C(Br)C=CC=C1F 101426 [0,2,0,0,0,0|1,0,0]=3 179 B11R1.156 O=C(O)C1=C(Br)C=CC=C1I 102776 [0,2,0,0,0,0|1,0,0]=3 180 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Cl 100043 [0,2,0,0,0,0|1,0,0]=3 181 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1I 101411 [0,2,0,0,0,0|1,0,0]=3 182 B11R1.156 O=C(O)C1=C(Cl)C=CN=C1Cl 100088 [0,2,0,0,0,0|2,0,0]=4 183 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1Cl 100058 [0,2,0,0,0,0|2,0,0]=4 184 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1F 100670 [0,2,0,0,0,0|2,0,0]=4 185 B11R1.156 O=C(O)C1=C(F)C=CC=C1Cl 100018 [0,2,0,0,0,0|1,0,0]=3 186 B11R1.156 O=C(O)C1=C(F)C=CC=C1F 100020 [0,2,0,0,0,0|1,0,0]=3 187 B11R1.156 O=C(O)C1=C(F)C=CC=C1O 101187 [0,2,0,0,0,0|1,0,0]=3 188 B11R1.156 O=C(O)C1=C(F)C=NC=C1F 100657 [0,2,0,0,0,0|2,0,0]=4 189 B11R1.156 O=C(O)C1=C(F)N=CC=C1F 100665 [0,2,0,0,0,0|2,0,0]=4 190 B11R1.156 O=C(O)C1=C(I)C=CC=C1F 101430 [0,2,0,0,0,0|1,0,0]=3 191 B11R1.156 O=C(O)C1=C(O)C=CC=C1Cl 101165 [0,2,0,0,0,0|1,0,0]=3 192 B11R1.156 [2H]C1=CC=CC([2H])=C1C(=O)O 100219 [0,2,0,0,0,0|1,0,0]=3 193 B11R1.156 [NH3+]C1=CC=CC(F)=C1C(=O)O 102502 [0,2,0,0,0,0|1,0,0]=3 194 B11R1.159 CC1=CC=CC(C(=O)O)=C1F 102174 [0,2,0,0,0,0|1,0,0]=3 195 B11R1.159 CC1=CC=CC([N+](=O)[O-])=C1C 100360 [0,2,0,0,0,0|2,0,0]=4 196 B11R1.159 O=C(O)C1=C(Br)C(Br)=CC=C1 101413 [0,2,0,0,0,0|1,0,0]=3 197 B11R1.159 O=C(O)C1=C(Br)C(Cl)=CC=C1 101444 [0,2,0,0,0,0|1,0,0]=3 198 B11R1.159 O=C(O)C1=C(Cl)C(Br)=CC=C1 101408 [0,2,0,0,0,0|1,0,0]=3 199 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CC=C1 100024 [0,2,0,0,0,0|1,0,0]=3 200 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=CN=C1 100060 [0,2,0,0,0,0|2,0,0]=4 201 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 100057 [0,2,0,0,0,0|2,0,0]=4 202 B11R1.159 O=C(O)C1=C(Cl)C(F)=NC=C1 100671 [0,2,0,0,0,0|2,0,0]=4 203 B11R1.159 O=C(O)C1=C(Cl)C(O)=CC=C1 101185 [0,2,0,0,0,0|1,0,0]=3 204 B11R1.159 O=C(O)C1=C(F)C(Br)=CC=C1 101424 [0,2,0,0,0,0|1,0,0]=3 205 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=C1 101433 [0,2,0,0,0,0|1,0,0]=3 206 B11R1.159 O=C(O)C1=C(F)C(Cl)=CC=N1 100672 [0,2,0,0,0,0|2,0,0]=4 207 B11R1.159 O=C(O)C1=C(F)C(F)=CC=C1 102969 [0,2,0,0,0,0|1,0,0]=3 208 B11R1.159 O=C(O)C1=C(F)C(F)=NC=C1 100659 [0,2,0,0,0,0|2,0,0]=4 209 B11R1.159 O=C(O)C1=C(F)C(I)=CC=C1 101422 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.159 O=C(O)C1=C(F)C(O)=CC=C1 101159 [0,2,0,0,0,0|1,0,0]=3 211 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1O 101176 [0,2,0,0,0,0|1,0,0]=3 212 B11R1.159 O=C(O)C1=CC=CC(F)=C1O 101153 [0,2,0,0,0,0|1,0,0]=3 213 B11R1.159 O=C(O)C1=CN=CC(F)=C1Cl 100680 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl 100083 [0,2,0,0,0,0|2,0,0]=4 215 B11R1.159 [NH3+]C1=C(O)C(C(=O)O)=CC=C1 102477 [0,2,0,0,0,0|1,0,0]=3 216 B11R1.167 CC1=C(C(=O)O)C=[N+]([O-])C=C1 15762 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.167 CC1=C(C(N)=O)C=[N+]([O-])C=C1 15761 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.167 CC1=C([N+](=O)[O-])C=C(Cl)C=C1 11008 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.167 CC1=CC([N+](=O)[O-])=C(N)C=C1 10765 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.167 CC1=CC=C(C)C(C(=O)O)=C1 16548 [0,2,0,0,0,0|1,0,0]=3 221 B11R1.167 CC1=CC=C(Cl)C=C1C(=O)O 101186 [0,2,0,0,0,0|1,0,0]=3 222 B11R1.167 CC1=CC=C(F)C(C(=O)O)=C1 102177 [0,2,0,0,0,0|1,0,0]=3 223 B11R1.167 NC1=C([N+](=O)[O-])C=C(Br)C=C1 20545 [0,2,0,0,0,0|2,0,0]=4 224 B11R1.167 O=C(O)C1=C(Br)C=CC(Br)=C1 101414 [0,2,0,0,0,0|1,0,0]=3 225 B11R1.167 O=C(O)C1=C(Br)C=CC(I)=C1 101409 [0,2,0,0,0,0|1,0,0]=3 226 B11R1.167 O=C(O)C1=C(Cl)C=CC(Br)=C1 101410 [0,2,0,0,0,0|1,0,0]=3 227 B11R1.167 O=C(O)C1=C(Cl)C=CC(I)=C1 101412 [0,2,0,0,0,0|1,0,0]=3 228 B11R1.167 O=C(O)C1=C(F)C=CC(F)=N1 100658 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.167 O=C(O)C1=C(F)C=CC(I)=C1 101442 [0,2,0,0,0,0|1,0,0]=3 230 B11R1.167 O=C(O)C1=C(F)N=CC(F)=C1 100662 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.167 O=C(O)C1=C(O)C=CC(F)=C1 101177 [0,2,0,0,0,0|1,0,0]=3 232 B11R1.167 O=C(O)C1=CC(Br)=CC=C1F 101425 [0,2,0,0,0,0|1,0,0]=3 233 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1Cl 100013 [0,2,0,0,0,0|1,0,0]=3 234 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1F 100049 [0,2,0,0,0,0|1,0,0]=3 235 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1O 101157 [0,2,0,0,0,0|1,0,0]=3 236 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl 100059 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.167 O=C(O)C1=CC(F)=CC=C1F 100037 [0,2,0,0,0,0|1,0,0]=3 238 B11R1.167 O=C(O)C1=CC(F)=NC=C1F 100660 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.167 O=C(O)C1=CC(O)=CC=C1Cl 101156 [0,2,0,0,0,0|1,0,0]=3 240 B11R1.167 O=C(O)C1=CC(O)=CC=C1F 101189 [0,2,0,0,0,0|1,0,0]=3 241 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl 100090 [0,2,0,0,0,0|2,0,0]=4 242 B11R1.167 O=[N+]([O-])C1=C(O)C=CC(Cl)=C1 20076 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.167 O=[N+]([O-])C1=CC(F)=CC=C1O 20075 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 17345 [0,2,0,0,0,0|1,0,0]=3 245 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 101317 [0,2,0,0,0,0|1,0,0]=3 246 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 101310 [0,2,0,0,0,0|2,0,0]=4 247 B11R1.74 O=C(O)C1=CC(F)=CC(F)=N1 100663 [0,2,0,0,0,0|2,0,0]=4 248 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 100252 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.74 O=C(O)C1=CC(O)=CC(F)=C1 101154 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.266 COC1=CC=CC(C(=O)O)=C1 18168 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 21793 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.266 O=CC1=CC=CC([N+](=O)[O-])=C1 15847 [0,2,0,0,0,0|2,0,0]=4 253 B9R2.50 C1=CC=C2CCC2=C1 16437 [1,0,0,1,0,0|0,0,1]=3 254 B11R2.10 CC1=NC2=CC=CC=C2N1 11720 [0,0,0,1,0,1|1,0,0]=3 255 B11R2.10 NC1=NC2=CC=CC=C2N1 500 [0,0,0,1,0,1|2,0,0]=4 256 B11R2.10 S=C1NC2=CC=CC=C2O1 18932 [0,0,0,1,0,1|1,0,1]=4 257 B11R2.10 SC1=NC2=C(C=CC=C2)N1 520 [0,0,0,1,0,1|1,1,0]=4 258 B11R2.10 SC1=NC2=CC=CC=C2O1 10015 [0,0,0,1,0,1|1,0,1]=4 259 B11R2.59 CC1(C)CC2=CC=CC=C21 16581 [0,0,0,1,0,1|1,0,1]=4 260 B11R2.59 CC1(O)CC2=CC=CC=C21 16426 [0,0,0,1,0,1|0,0,2]=4 261 B11R2.363 CC1=CC=C2C(=O)CC2=C1 16221 [0,1,0,1,0,0|0,0,0]=2 262 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [0,1,0,1,0,0|1,0,0]=3 263 B11R2.1 CC1C=CC2=CC=CC=C21 16652 [0,1,0,1,0,0|1,0,1]=4 264 B11R2.54 O=C1C(=O)C2=CC=CC=C12 16264 [0,1,0,1,0,0|0,0,1]=3 265 B11R2.54 O=C1C2=CC=CC=C2C1Cl 16693 [0,1,0,1,0,0|0,0,0]=2 266 B11R2.988 C=CC1CC2=CC=CC=C21 16578 [0,1,0,1,0,0|1,0,1]=4 267 B11R2.988 N#CC1CC2=CC=CC=C21 16577 [0,1,0,1,0,0|1,0,1]=4 268 B11R2.988 ON=C1CC2=CC=CC=C21 16706 [0,1,0,1,0,0|0,0,1]=3 269 B11R2.468 O=C1CC2=CC=CC(Br)=C12 16263 [0,1,0,1,0,0|0,0,0]=2 270 B11R2.468 O=C1CC2=CC=CC(Cl)=C12 16262 [0,1,0,1,0,0|0,0,0]=2 271 B11R2.468 O=C1CC2=CC=CC(F)=C12 16261 [0,1,0,1,0,0|0,0,0]=2 272 B11R2.468 OC1CC2=CC=CC(F)=C21 16158 [0,1,0,1,0,0|0,0,2]=4 273 B11R2.104 CC1=C2CC(=O)C2=CC=C1 16220 [0,1,0,1,0,0|0,0,0]=2 274 B11R2.117 CC1=CC=C2CC(=O)C2=C1 16222 [0,1,0,1,0,0|0,0,0]=2 275 B7R1.1 C[Se]C1=CSC=C1 19191 [1,0,0,0,1,0|2,0,0]=4 276 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [0,0,0,0,0,2|1,0,0]=3 277 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [0,0,0,0,0,2|1,0,0]=3 278 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [0,0,0,0,0,2|1,0,1]=4 279 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [0,0,0,0,0,2|1,0,0]=3 280 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [0,0,0,0,0,2|1,0,0]=3 281 B11R1.91 O=S([O-])NCC1=CC=CC=C1 102536 [0,0,0,0,0,2|2,0,0]=4 282 B11R1.91 O=[N+]([O-])NNC1=CC=CC=C1 22288 [0,0,0,0,0,2|2,0,0]=4