0 B10R1.10 CC1=CC=CC(CCBr)=N1 B13336 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 CCCC1=CC=CC(N)=N1 P17223 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.10 CCOC1=CC(Br)=CC=C1 B18703 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.10 CCOC1=CC(F)=CC=C1 F5499 [0,0,0,0,0,0|2,1,0]=3 4 B10R1.10 CCOC1=CC=CC(N)=N1 E0124 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.10 CCOC1=CC=CC(S)=C1 E1129 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.10 ClC1=CC(CCBr)=CC=C1 C9887 [0,0,0,0,0,0|1,1,0]=2 7 B10R1.10 FCOC1=CC(Br)=CC=C1 F5304 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.10 N#CCC1=CC(N)=CC=C1 A0433 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.10 N#CCC1=CC=CC(Br)=C1 B1331 [0,0,0,0,0,0|0,0,2]=2 10 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C18898 [0,0,0,0,0,0|0,1,2]=3 11 B10R1.10 N#CCC1=CC=CC(F)=C1 F1335 [0,0,0,0,0,0|0,1,2]=3 12 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [0,0,0,0,0,0|0,1,0]=1 13 B10R1.10 NCCC1=CC(F)=CC=C1 F11687 [0,0,0,0,0,0|0,1,0]=1 14 B10R1.10 NCCC1=CC(N)=CC=C1 A18201 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.10 NCCC1=CC=CC(Br)=C1 B18673 [0,0,0,0,0,0|0,0,0]=0 16 B10R1.10 NCCC1=CC=CC(O)=C1 H7973 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.10 S=C=NC1=CC(Br)=CC=C1 B9631 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.2 BrCC1=CC=CC(Br)=C1 B1306 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.2 BrCC1=NC(Br)=CC=C1 B12644 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.2 C#CC1=CC=CC(N)=C1 A0235 [1,0,0,0,0,0|1,0,2]=4 21 B9R1.2 C(=O)C1=CC(Br)=CN=C1 B11418 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.2 C(=O)C1=CC=CC(Br)=C1 B4204 [1,0,0,0,0,0|1,0,1]=3 23 B9R1.2 C(=O)C1=CC=CC(C)=C1 T4219 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.2 C(=O)C1=CC=CC(F)=C1 F3982 [1,0,0,0,0,0|1,1,1]=4 25 B9R1.2 C(=O)C1=CC=CC(O)=C1 H0367 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.2 C=CC1=CC=CC(Br)=C1 B8314 [1,0,0,0,0,0|0,0,2]=3 27 B9R1.2 CC1=CC(C#N)=CC=C1 T5026 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.2 CC1=CC(CN)=CC=C1 M4304 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.2 CC1=CC=CC(CO)=N1 M11438 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.2 CCC1=CC(N)=NC=C1 A13449 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.2 CCC1=CC(O)=CC=C1 E18807 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.2 CCC1=CC=CC(Br)=C1 B8399 [1,0,0,0,0,0|0,0,0]=1 33 B9R1.2 CNC1=CC(Br)=CC=C1 B18336 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.2 COC1=CC(N)=NC=C1 A11779 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.2 COC1=CC(N)=NC=C1 A11779 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.2 COC1=CC=CC(Br)=C1 B8466 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.2 COC1=CC=CC(Br)=N1 B11416 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.2 COC1=CC=CC(F)=C1 F0055 [1,0,0,0,0,0|1,1,0]=3 39 B9R1.2 COC1=CC=CC(N)=C1 M18773 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.2 COC1=CC=CC(N)=N1 M0099 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.2 COC1=CN=CC(Br)=C1 B11442 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.2 COC1=CN=CC(Cl)=C1 C17302 [1,0,0,0,0,0|2,1,0]=4 43 B9R1.2 COC1=CN=CC(N)=C1 M11541 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.2 COC1=NC(C)=CC=C1 M2706 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.2 COC1=NC(C)=CC=C1 M2706 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.2 COC1=NC(Cl)=CC=C1 C2489 [1,0,0,0,0,0|2,1,0]=4 47 B9R1.2 COC1=NC=CC(C)=C1 M11590 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.2 COC1=NC=CC(N)=C1 A18270 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.2 CSC1=CC(I)=CC=C1 I3898 [1,0,0,0,0,0|1,1,0]=3 50 B9R1.2 CSC1=CC(N)=CC=C1 M0686 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.2 CSC1=CC=CC(Br)=C1 B0981 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.2 CSC1=CC=CC(Cl)=C1 C3887 [1,0,0,0,0,0|1,1,0]=3 53 B9R1.2 CSC1=CC=CC(F)=C1 F3895 [1,0,0,0,0,0|1,1,0]=3 54 B9R1.2 ClC1=CC(CBr)=CC=C1 C9245 [1,0,0,0,0,0|1,1,0]=3 55 B9R1.2 FC1=CC(CBr)=CC=C1 F0983 [1,0,0,0,0,0|1,1,0]=3 56 B9R1.2 FC1=CC(CBr)=CC=C1 F0983 [1,0,0,0,0,0|1,1,0]=3 57 B9R1.2 N#CC1=CC(Br)=CC=C1 B4223 [1,0,0,0,0,0|0,0,2]=3 58 B9R1.2 N#CC1=CC(Br)=CN=C1 B8311 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.2 N#CC1=CC(Cl)=CC=C1 C3461 [1,0,0,0,0,0|0,1,2]=4 60 B9R1.2 N#CC1=CC(O)=CC=C1 H1345 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.2 N#CC1=CC=CC(F)=C1 F4221 [1,0,0,0,0,0|0,1,2]=4 62 B9R1.2 N#CC1=CC=CC(I)=C1 I4222 [1,0,0,0,0,0|0,1,2]=4 63 B9R1.2 N#CC1=CC=CC(N)=C1 A0959 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.2 N#CC1=NC(Br)=CC=C1 B0376 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.2 N#CC1=NC=CC(Br)=C1 B17444 [1,0,0,0,0,0|1,0,2]=4 66 B9R1.2 NC1=CC=CC(C=O)=C1 A14455 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.2 NC1=NC=CC(CO)=C1 A13817 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.2 NCC1=CC=CC(Br)=C1 B9995 [1,0,0,0,0,0|0,0,0]=1 69 B9R1.2 NCC1=CC=CC(Cl)=C1 C4293 [1,0,0,0,0,0|0,1,0]=2 70 B9R1.2 NCC1=CC=CN(=O)=C1 A18259 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.2 NCC1=NC(Br)=CC=C1 B0272 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.2 O=CC1=CC(Br)=NC=C1 B2189 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.2 O=CC1=CC=CC(Br)=N1 B8433 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.2 OCC1=CC(Br)=CN=C1 B2855 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.2 OCC1=CC(Cl)=NC=C1 C14253 [1,0,0,0,0,0|2,1,0]=4 76 B9R1.2 OCC1=CC=CC(F)=C1 F0982 [1,0,0,0,0,0|1,1,0]=3 77 B9R1.2 OCC1=NC(Br)=CC=C1 B8506 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.2 SCC1=CC=CC(Br)=C1 B9154 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.2 [C-]#[N+]C1=CC(Br)=CC=C1 B8267 [1,0,0,0,0,0|1,0,1]=3 80 B9R1.8 BrCCC1=CC=CC=C1 B1499 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.8 BrCCC1=NC=CC=C1 B18468 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.8 CCC[N+]1=CC=CC=C1 P9114 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.8 CNCC1=CC=CC=C1 C12471 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.8 CNCC1=CN=CC=C1 M13405 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.8 C\N=C/C1=CC=CC=C1 B11532 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 NCCC1=CC=CC=C1 P18797 [1,0,0,0,0,0|0,0,0]=1 87 B9R1.8 NCCC1=CC=CC=C1 P19425 [1,0,0,0,0,0|0,0,0]=1 88 B9R1.8 NCCC1=CC=CC=N1 P3233 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.8 NCCC1=CC=CN=C1 A18111 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.8 NCCC1=CC=NC=C1 A18195 [1,0,0,0,0,0|1,0,0]=2 91 B9R1.8 NCCC1=CN=CC=C1 A12910 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.8 NNCC1=CC=CC=C1 B8798 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.8 NOCC1=CC=CC=C1 B7490 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.8 OCCC1=NC=CC=C1 P0121 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 OCCC1=NC=CN=C1 H13361 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.8 O\N=C/C1=CC=CC=C1 B18348 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.13 CCOC1=CC=CC(F)=C1F D7458 [0,1,0,0,0,0|2,1,0]=4 99 B11R1.13 N#CCC1=CC=CC(Cl)=C1Cl D8434 [0,1,0,0,0,0|0,1,2]=4 100 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 C7784 [0,1,0,0,0,0|1,1,1]=4 101 B11R1.23 CCC(=O)C1=CC=CC(F)=C1 F3998 [0,1,0,0,0,0|1,1,1]=4 102 B11R1.23 CCC(=O)C1=CC=CC(O)=C1 H4015 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.23 NCC(O)C1=CC(Cl)=CC=C1 A3766 [0,1,0,0,0,0|0,1,0]=2 104 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 B9680 [0,1,0,0,0,0|1,0,1]=3 105 B11R1.23 NNC(=O)C1=CC=CC(F)=C1 F4422 [0,1,0,0,0,0|1,1,1]=4 106 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 C10453 [0,1,0,0,0,0|1,1,1]=4 107 B11R1.24 FC1=CC=CC(CN=C=S)=C1 F7748 [0,1,0,0,0,0|1,1,1]=4 108 B11R1.24 OCC#CC1=CC=CC(Br)=C1 B9484 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 C7733 [0,1,0,0,0,0|1,1,1]=4 110 B11R1.24 OCCOC1=CC(Br)=CN=C1 B13221 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.24 S=C=NCC1=CC(Cl)=CC=C1 C8345 [0,1,0,0,0,0|1,1,1]=4 112 B11R1.24 [C-]#[N+]CCC1=CC(Br)=CC=C1 B9444 [0,1,0,0,0,0|0,0,1]=2 113 B11R1.34 N#CCC1=CC(F)=CC(F)=C1 D4191 [0,1,0,0,0,0|0,1,2]=4 114 B11R1.157 CC1=CC=CC(CC(=N)N)=C1 T13941 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 C16713 [0,1,0,0,0,0|0,1,1]=3 116 B11R1.157 N=C(N)CC1=CC(F)=CC=C1 F14030 [0,1,0,0,0,0|0,1,1]=3 117 B11R1.157 NC(=S)NC1=CC(Br)=CC=C1 B10340 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.157 NC(=S)NC1=CC(O)=CC=C1 H7774 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.157 NC1=CC(CC(=O)O)=CC=C1 A5096 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 B3814 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 C0700 [0,1,0,0,0,0|1,1,1]=4 122 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F1337 [0,1,0,0,0,0|1,1,1]=4 123 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 F1337 [0,1,0,0,0,0|1,1,1]=4 124 B11R1.182 CCOC1=CC(N)=CC=C1Br B6753 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.182 N#CCC1=CC(Cl)=CC=C1Cl D4193 [0,1,0,0,0,0|0,1,2]=4 126 B11R1.182 N#CCC1=CC(F)=CC=C1F D4189 [0,1,0,0,0,0|0,1,2]=4 127 B11R1.182 NC1=CC(CCO)=C(N)C=C1 H4714 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.182 [C-]#[N+]CC1=C(F)C=CC(Br)=C1 B9622 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.189 COC1=CC=CC(CC#N)=C1 M1205 [0,1,0,0,0,0|1,0,2]=4 130 B11R1.189 COC1=CC=CC(CC#N)=C1 M1205 [0,1,0,0,0,0|1,0,2]=4 131 B11R1.192 FC1=CC=C(N=C=S)C=C1Br B10376 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.192 N#CCC1=CC(Cl)=C(Cl)C=C1 D1364 [0,1,0,0,0,0|0,1,2]=4 133 B11R1.192 N#CCC1=CC=C(F)C(F)=C1 D4190 [0,1,0,0,0,0|0,1,2]=4 134 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D1738 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D1738 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.192 [C-]#[N+]CC1=CC=C(F)C(Br)=C1 B9621 [0,1,0,0,0,0|2,0,0]=3 137 B11R2.35 ClC1=CC(C2CO2)=CC=C1 C19156 [0,0,0,1,0,0|1,1,0]=3 138 B11R2.36 BrC1=CC2=C(C=C1)C=NN2 B1466 [0,0,0,1,0,0|3,0,0]=4 139 B11R2.36 BrC1=CC2=C(C=C1)CNC2 B19342 [0,0,0,1,0,0|2,0,0]=3 140 B11R2.36 BrC1=CC2=C(C=C1)NCC2 B8933 [0,0,0,1,0,0|0,0,0]=1 141 B11R2.36 BrC1=CC2=C(C=C1)OC=C2 B12936 [0,0,0,1,0,0|1,0,2]=4 142 B11R2.36 BrC1=CC2=C(C=C1)OCC2 B8982 [0,0,0,1,0,0|1,0,0]=2 143 B11R2.36 BrC1=CC2=NON=C2C=C1 B11820 [0,0,0,1,0,0|2,0,1]=4 144 B11R2.36 BrC1=CC=C2C=CNC2=C1 B2708 [0,0,0,1,0,0|2,0,1]=4 145 B11R2.36 BrC1=CC=C2CCNC2=C1 B11885 [0,0,0,1,0,0|2,0,0]=3 146 B11R2.36 BrC1=CC=C2CCNC2=C1 B11885 [0,0,0,1,0,0|2,0,0]=3 147 B11R2.36 BrC1=CC=C2CNCC2=C1 B11923 [0,0,0,1,0,0|2,0,0]=3 148 B11R2.36 BrC1=CC=C2CNCC2=C1 B11923 [0,0,0,1,0,0|2,0,0]=3 149 B11R2.36 BrC1=CC=C2NC=CC2=C1 C0379 [0,0,0,1,0,0|0,0,2]=3 150 B11R2.36 BrC1=CC=C2NC=NC2=C1 B17274 [0,0,0,1,0,0|1,0,1]=3 151 B11R2.36 BrC1=CC=C2NN=CC2=C1 B2284 [0,0,0,1,0,0|1,0,1]=3 152 B11R2.36 BrC1=CC=C2NN=CC2=C1 B2284 [0,0,0,1,0,0|1,0,1]=3 153 B11R2.36 BrC1=CC=C2OCOC2=C1 B4101 [0,0,0,1,0,0|2,0,0]=3 154 B11R2.36 BrC1=CC=C2SC=CC2=C1 B18499 [0,0,0,1,0,0|1,0,2]=4 155 B11R2.36 BrC1=CN=C2NC=CC2=C1 B12573 [0,0,0,1,0,0|1,0,2]=4 156 B11R2.36 CC1=CC2=C(C=C1)NCC2 M19250 [0,0,0,1,0,0|1,0,0]=2 157 B11R2.36 CC1=CC=C2CCNC2=C1 M11912 [0,0,0,1,0,0|3,0,0]=4 158 B11R2.36 CC1=CC=C2NC=CC2=C1 M17762 [0,0,0,1,0,0|1,0,2]=4 159 B11R2.36 ClC1=CC2=C(C=C1)CCN2 C11896 [0,0,0,1,0,0|2,1,0]=4 160 B11R2.36 ClC1=CC2=C(C=C1)CCN2 C11896 [0,0,0,1,0,0|2,1,0]=4 161 B11R2.36 ClC1=CC2=C(C=C1)CNC2 C19357 [0,0,0,1,0,0|2,1,0]=4 162 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 C1861 [0,0,0,1,0,0|0,1,2]=4 163 B11R2.36 ClC1=CC2=C(C=C1)NCC2 C11883 [0,0,0,1,0,0|0,1,0]=2 164 B11R2.36 ClC1=CC=C2NC=NC2=C1 C17319 [0,0,0,1,0,0|1,1,1]=4 165 B11R2.36 ClC1=CC=C2NN=CC2=C1 C12593 [0,0,0,1,0,0|1,1,1]=4 166 B11R2.36 FC1=CC2=C(C=C1)CCN2 F11886 [0,0,0,1,0,0|2,1,0]=4 167 B11R2.36 FC1=CC2=C(C=C1)NC=C2 F0297 [0,0,0,1,0,0|0,1,2]=4 168 B11R2.36 FC1=CC2=C(C=C1)NCC2 F11878 [0,0,0,1,0,0|0,1,0]=2 169 B11R2.36 FC1=CC=C2CNCC2=C1 F11925 [0,0,0,1,0,0|2,1,0]=4 170 B11R2.36 FC1=CC=C2NC=NC2=C1 F17369 [0,0,0,1,0,0|1,1,1]=4 171 B11R2.36 FC1=CC=C2NN=CC2=C1 F12174 [0,0,0,1,0,0|1,1,1]=4 172 B11R2.36 IC1=CC=C2NN=CC2=C1 I12592 [0,0,0,1,0,0|1,1,1]=4 173 B11R2.36 NC1=CC2=C(C=C1)NC=N2 A18665 [0,0,0,1,0,0|2,0,1]=4 174 B11R2.36 NC1=CC2=C(C=C1)OCO2 M0667 [0,0,0,1,0,0|3,0,0]=4 175 B11R2.36 NC1=CC=C2NC=CC2=C1 A7244 [0,0,0,1,0,0|1,0,2]=4 176 B11R2.36 NC1=CC=C2NC=CC2=C1 A7244 [0,0,0,1,0,0|1,0,2]=4 177 B11R2.36 NC1=CC=C2NN=CC2=C1 I2711 [0,0,0,1,0,0|2,0,1]=4 178 B11R2.36 OC1=CC2=C(C=C1)NC=C2 H0899 [0,0,0,1,0,0|1,0,2]=4 179 B11R2.36 OC1=CC2=C(C=C1)NCC2 D14328 [0,0,0,1,0,0|1,0,0]=2 180 B11R2.36 OC1=CC=C2NC=NC2=C1 B17278 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.36 OC1=CC=C2NC=NC2=C1 B17278 [0,0,0,1,0,0|2,0,1]=4 182 B11R2.36 OC1=CC=C2OCOC2=C1 M11664 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.106 BrC1=C2C=CNC2=CC=C1 B2115 [0,0,0,1,0,0|2,0,1]=4 184 B11R2.106 BrC1=C2C=NNC2=CC=C1 B12590 [0,0,0,1,0,0|3,0,0]=4 185 B11R2.106 BrC1=C2CCNC2=CC=C1 B11884 [0,0,0,1,0,0|2,0,0]=3 186 B11R2.106 BrC1=C2CCNC2=CC=C1 B11884 [0,0,0,1,0,0|2,0,0]=3 187 B11R2.106 BrC1=C2NC=CC2=CC=C1 B2912 [0,0,0,1,0,0|0,0,2]=3 188 B11R2.106 BrC1=C2NC=CC2=CC=C1 B2912 [0,0,0,1,0,0|0,0,2]=3 189 B11R2.106 BrC1=C2NCCC2=CC=C1 B11888 [0,0,0,1,0,0|0,0,0]=1 190 B11R2.106 BrC1=C2NCCC2=CC=C1 B11888 [0,0,0,1,0,0|0,0,0]=1 191 B11R2.106 BrC1=C2NN=CC2=CC=C1 B12595 [0,0,0,1,0,0|1,0,1]=3 192 B11R2.106 BrC1=CC=CC2=C1CNC2 B19356 [0,0,0,1,0,0|2,0,0]=3 193 B11R2.106 CC1=C2CCNC2=CC=C1 M11911 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.106 CC1=C2NC=CC2=CC=C1 M11873 [0,0,0,1,0,0|1,0,2]=4 195 B11R2.106 CC1=C2NCCC2=CC=C1 M11913 [0,0,0,1,0,0|1,0,0]=2 196 B11R2.106 CC1=C2NN=CC2=CC=C1 M15328 [0,0,0,1,0,0|2,0,1]=4 197 B11R2.106 ClC1=C2CNCC2=CC=C1 C19239 [0,0,0,1,0,0|2,1,0]=4 198 B11R2.106 ClC1=C2NN=CC2=CC=C1 C12596 [0,0,0,1,0,0|1,1,1]=4 199 B11R2.106 ClC1=CC=CC2=C1CCN2 C11902 [0,0,0,1,0,0|2,1,0]=4 200 B11R2.106 ClC1=CC=CC2=C1CCN2 C11902 [0,0,0,1,0,0|2,1,0]=4 201 B11R2.106 ClC1=CC=CC2=C1NC=C2 C11743 [0,0,0,1,0,0|0,1,2]=4 202 B11R2.106 ClC1=CC=CC2=C1NCC2 C11903 [0,0,0,1,0,0|0,1,0]=2 203 B11R2.106 FC1=C2CCNC2=CC=C1 F11904 [0,0,0,1,0,0|2,1,0]=4 204 B11R2.106 FC1=C2NC=CC2=CC=C1 F11875 [0,0,0,1,0,0|0,1,2]=4 205 B11R2.106 FC1=C2NCCC2=CC=C1 F11915 [0,0,0,1,0,0|0,1,0]=2 206 B11R2.106 FC1=CC=CC2=C1CNC2 F19352 [0,0,0,1,0,0|2,1,0]=4 207 B11R2.106 NC1=C2NC=CC2=CC=C1 A18529 [0,0,0,1,0,0|1,0,2]=4 208 B11R2.106 NC1=C2NN=CC2=CC=C1 I12601 [0,0,0,1,0,0|2,0,1]=4 209 B11R2.106 OC1=C2NN=CC2=CC=C1 H15604 [0,0,0,1,0,0|2,0,1]=4 210 B9R1.33 CC1=NC=CN1CCN M19345 [0,0,0,0,1,0|3,0,0]=4 211 B8R1.2 C#CC1=CC=CC=C1 P18887 [2,0,0,0,0,0|0,0,2]=4 212 B8R1.2 CC[N+]1=CC=CC=C1 E8507 [2,0,0,0,0,0|1,0,0]=3 213 B8R1.2 COC1=CC=NC=C1 M3232 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.2 COC1=CC=NC=C1 M3232 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.2 ClCC1=CC=CN=C1 C1770 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.2 ClCC1=CC=NC=C1 C2804 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 ClCC1=NC=CC=C1 C5538 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.2 NCC1=CC=CN=C1 P2319 [2,0,0,0,0,0|1,0,0]=3 219 B8R1.2 NCC1=NC=CC=N1 A13173 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.2 OCC1=NC=CC=C1 P1495 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.4 BrC1=CC(Br)=NC=C1 D1833 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.4 BrC1=CC=CC(Br)=C1 D10509 [2,0,0,0,0,0|1,0,0]=3 223 B8R1.4 BrC1=CC=CC(Br)=N1 D3482 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.4 BrC1=CN=CC(Br)=C1 D1834 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.4 BrC1=NC=CC(I)=C1 B1908 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.4 CC1=CC(Br)=CC=N1 B11287 [2,0,0,0,0,0|1,0,0]=3 227 B8R1.4 CC1=CC(Br)=NC=C1 B2654 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.4 CC1=CC(F)=NC=C1 F12483 [2,0,0,0,0,0|1,1,0]=4 229 B8R1.4 CC1=CC(N)=CN=C1 M11544 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.4 CC1=CC(N)=NC=C1 A3549 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.4 CC1=CC(O)=NC=C1 H11433 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.4 CC1=CC=CC(Br)=N1 B7894 [2,0,0,0,0,0|1,0,0]=3 233 B8R1.4 CC1=CC=CC(Cl)=N1 C0781 [2,0,0,0,0,0|1,1,0]=4 234 B8R1.4 CC1=CC=CC(I)=C1 I9818 [2,0,0,0,0,0|0,1,0]=3 235 B8R1.4 CC1=CC=CC(O)=N1 H2705 [2,0,0,0,0,0|2,0,0]=4 236 B8R1.4 CC1=CC=CC(O)=N1 H2705 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.4 CC1=CC=NC(Br)=N1 B7935 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.4 CC1=CN=CC(Br)=C1 B1021 [2,0,0,0,0,0|1,0,0]=3 239 B8R1.4 CC1=CN=CC(Br)=C1 B1021 [2,0,0,0,0,0|1,0,0]=3 240 B8R1.4 CC1=CN=CC(C)=C1 D3192 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.4 CC1=NC(N)=CC=C1 A1028 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.4 CC1=NC=CC(N)=C1 A1027 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.4 ClC1=CC=NC(Br)=C1 B1838 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.4 ClC1=CN=CC(Br)=C1 B11419 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.4 ClC1=NC=CC(Br)=C1 B1837 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.4 FC1=CC(Cl)=CC=C1 C11140 [2,0,0,0,0,0|1,1,0]=4 247 B8R1.4 FC1=CC(S)=CC=C1 F5243 [2,0,0,0,0,0|1,1,0]=4 248 B8R1.4 FC1=CC=CC(Br)=C1 B11138 [2,0,0,0,0,0|1,0,0]=3 249 B8R1.4 FC1=CC=CC(Br)=N1 B4637 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.4 FC1=CC=CC(F)=C1 D11159 [2,0,0,0,0,0|1,1,0]=4 251 B8R1.4 FC1=CC=CC(I)=C1 F9963 [2,0,0,0,0,0|1,1,0]=4 252 B8R1.4 FC1=CN=CC(Br)=C1 B8042 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.4 NC1=CC(Br)=CN=C1 B2718 [2,0,0,0,0,0|1,0,0]=3 254 B8R1.4 NC1=CC(Br)=NC=C1 A2081 [2,0,0,0,0,0|1,0,0]=3 255 B8R1.4 NC1=CC(Cl)=NC=C1 A0127 [2,0,0,0,0,0|1,1,0]=4 256 B8R1.4 NC1=CC(Cl)=NC=C1 A0127 [2,0,0,0,0,0|1,1,0]=4 257 B8R1.4 NC1=CC(O)=CC=N1 A14644 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.4 NC1=CC(O)=CC=N1 A14644 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.4 NC1=CC(O)=NC=C1 A14552 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.4 NC1=CC=CC(Br)=C1 B11592 [2,0,0,0,0,0|0,0,0]=2 261 B8R1.4 NC1=CC=CC(Br)=N1 A7933 [2,0,0,0,0,0|1,0,0]=3 262 B8R1.4 NC1=CC=CC(F)=C1 F0703 [2,0,0,0,0,0|0,1,0]=3 263 B8R1.4 NC1=CC=CC(O)=N1 A14451 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.4 NC1=CN=CC(Cl)=C1 C1840 [2,0,0,0,0,0|1,1,0]=4 265 B8R1.4 NC1=NC(Cl)=CC=C1 A11440 [2,0,0,0,0,0|1,1,0]=4 266 B8R1.4 NC1=NC=CC(Br)=C1 A11797 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.4 NC1=NC=CC(Cl)=C1 A11778 [2,0,0,0,0,0|1,1,0]=4 268 B8R1.4 OC1=CC(I)=CC=C1 I9898 [2,0,0,0,0,0|1,1,0]=4 269 B8R1.4 OC1=CC(S)=CC=C1 H4937 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.4 OC1=CC=CC(Br)=C1 B0311 [2,0,0,0,0,0|1,0,0]=3 271 B8R1.4 OC1=CC=CC(Br)=N1 B11447 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.4 OC1=CC=CC(Cl)=C1 C1354 [2,0,0,0,0,0|1,1,0]=4 273 B8R1.4 OC1=CC=CC(F)=C1 F11146 [2,0,0,0,0,0|1,1,0]=4 274 B8R1.4 OC1=CN=CC(Br)=C1 B11445 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.4 SC1=CC=CC(Br)=C1 B0695 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.4 SC1=CC=CC(Cl)=C1 C0701 [2,0,0,0,0,0|1,1,0]=4 277 B10R1.2 C(=O)C1=CC=CC(Br)=C1F B12563 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.2 CCC1=C(N)C(C)=CC=C1 M18865 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.2 CCC1=C(O)C(=O)C=CO1 E0490 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.2 COC1=CC=CC(F)=C1F D11734 [1,1,0,0,0,0|1,1,0]=4 281 B10R1.2 CSC1=CC=CC(Cl)=C1C C3893 [1,1,0,0,0,0|1,1,0]=4 282 B10R1.2 FC1=C(Cl)C=CC=C1CBr C10039 [1,1,0,0,0,0|1,1,0]=4 283 B10R1.2 FC1=C(F)C(CBr)=CC=C1 D9304 [1,1,0,0,0,0|1,1,0]=4 284 B10R1.2 N#CC1=C(F)C(Br)=CC=C1 B9011 [1,1,0,0,0,0|0,0,2]=4 285 B10R1.2 N#CC1=C(F)C(Br)=CC=C1 B9011 [1,1,0,0,0,0|0,0,2]=4 286 B10R1.2 N#CC1=CC=CC(Br)=C1Br D16553 [1,1,0,0,0,0|0,0,2]=4 287 B10R1.2 NC1=C(Br)C=CC=C1C=O A19285 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.2 NC1=C(Br)C=CC=C1CO A19289 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.2 NC1=CC=CC(CO)=C1N D13345 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.2 NCC1=C(F)C(Cl)=CC=C1 C7489 [1,1,0,0,0,0|0,1,0]=3 291 B10R1.2 NNC1=CC=CC(Cl)=C1Cl D9610 [1,1,0,0,0,0|1,1,0]=4 292 B10R1.2 NNC1=CC=CC(Cl)=C1F C8882 [1,1,0,0,0,0|1,1,0]=4 293 B10R1.8 CC1=CC(C)=CC(NN)=C1 D7931 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.8 COC1=CC(F)=CC(Br)=C1 B9229 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.8 COC1=CC(F)=CC(Br)=C1 B9229 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.8 COC1=CC(F)=CC(Cl)=C1 C7498 [1,1,0,0,0,0|1,1,0]=4 297 B10R1.8 COC1=CC(F)=CC(F)=C1 D5211 [1,1,0,0,0,0|1,1,0]=4 298 B10R1.8 CSC1=CC(Cl)=CC(Cl)=C1 D1127 [1,1,0,0,0,0|1,1,0]=4 299 B10R1.8 FC1=CC(F)=CC(CBr)=C1 D0991 [1,1,0,0,0,0|1,1,0]=4 300 B10R1.8 FC1=CC(F)=CC(CCl)=C1 D7549 [1,1,0,0,0,0|1,1,0]=4 301 B10R1.8 N#CC1=CC(Br)=CC(Cl)=C1 B5447 [1,1,0,0,0,0|0,0,2]=4 302 B10R1.8 N#CC1=CC(F)=CC(Br)=C1 B5318 [1,1,0,0,0,0|0,0,2]=4 303 B10R1.8 NCC1=CC(Cl)=CC(Cl)=C1 D8049 [1,1,0,0,0,0|0,1,0]=3 304 B10R1.8 NCC1=CC(F)=CC(F)=C1 D0992 [1,1,0,0,0,0|0,1,0]=3 305 B10R1.8 NNC1=CC(Cl)=CC(Cl)=C1 D9609 [1,1,0,0,0,0|1,1,0]=4 306 B10R1.8 NNC1=CC(F)=CC(F)=C1 D6688 [1,1,0,0,0,0|1,1,0]=4 307 B10R1.8 NNC1=CC(F)=CC(F)=C1 D8232 [1,1,0,0,0,0|1,1,0]=4 308 B10R1.8 O=CC1=CC(F)=CC(Br)=C1 B6663 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.8 OCC1=CC(F)=CC(F)=C1 D0990 [1,1,0,0,0,0|1,1,0]=4 310 B10R1.8 OCC1=CC(O)=CC(O)=C1 D11753 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.8 OCC1=CC(O)=CC(O)=C1 D11753 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.30 C(=O)C1=CC(Br)=CC=C1F B4545 [1,1,0,0,0,0|1,0,1]=4 313 B10R1.30 C(=O)C1=CC(Br)=CC=C1F B4545 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.30 CC1=CC=C(F)C=C1NN F8076 [1,1,0,0,0,0|1,1,0]=4 315 B10R1.30 CCC1=C(O)C=CC(C)=N1 E16240 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.30 COC1=C(Br)C=CC(F)=C1 B9230 [1,1,0,0,0,0|1,1,0]=4 317 B10R1.30 COC1=C(Br)C=CC(O)=C1 B3002 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.30 COC1=C(C)C=CC(Cl)=C1 C5456 [1,1,0,0,0,0|1,1,0]=4 319 B10R1.30 COC1=C(N)C=CC(Br)=C1 B18633 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.30 COC1=CC(Br)=CC=C1Cl B9953 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.30 COC1=CC(Cl)=CC=C1Cl D8081 [1,1,0,0,0,0|1,1,0]=4 322 B10R1.30 COC1=CC(Cl)=CC=C1N C8763 [1,1,0,0,0,0|1,1,0]=4 323 B10R1.30 COC1=CC(F)=CC=C1F D5209 [1,1,0,0,0,0|1,1,0]=4 324 B10R1.30 COC1=CC(F)=CC=C1O F7215 [1,1,0,0,0,0|1,1,0]=4 325 B10R1.30 COC1=CC(N)=CC=C1Cl M11748 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.30 COC1=CC(N)=CC=C1Cl M11748 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.30 COC1=CC(N)=CC=C1O A18253 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.30 ClC1=CC=C(Cl)C(CBr)=C1 D4179 [1,1,0,0,0,0|1,1,0]=4 329 B10R1.30 FC1=C(CBr)C=C(Cl)C=C1 C10043 [1,1,0,0,0,0|1,1,0]=4 330 B10R1.30 FC1=CC=C(Br)C(CBr)=C1 B2771 [1,1,0,0,0,0|1,1,0]=4 331 B10R1.30 FC1=CC=C(F)C(CBr)=C1 D4176 [1,1,0,0,0,0|1,1,0]=4 332 B10R1.30 N#CC1=C(F)C=CC(Br)=C1 B9008 [1,1,0,0,0,0|0,0,2]=4 333 B10R1.30 N#CC1=C(O)C=CC(Br)=C1 B8929 [1,1,0,0,0,0|0,0,2]=4 334 B10R1.30 N#CC1=CC(Br)=CC=C1Cl B19063 [1,1,0,0,0,0|0,0,2]=4 335 B10R1.30 N#CC1=CC(Br)=CC=C1N A3464 [1,1,0,0,0,0|0,0,2]=4 336 B10R1.30 NC1=NC=C(Br)C=C1CO A16696 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.30 NCC1=C(N)C=CC(Cl)=C1 A13592 [1,1,0,0,0,0|0,1,0]=3 338 B10R1.30 NCC1=C(O)C=CC(N)=C1 A15044 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.30 NCC1=CC(Cl)=CC=C1F C4296 [1,1,0,0,0,0|0,1,0]=3 340 B10R1.30 NCC1=CC(F)=CC=C1F D0330 [1,1,0,0,0,0|0,1,0]=3 341 B10R1.30 NNC1=C(Cl)C=CC(Cl)=C1 D0555 [1,1,0,0,0,0|1,1,0]=4 342 B10R1.30 NNC1=CC(F)=CC=C1F D8229 [1,1,0,0,0,0|1,1,0]=4 343 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 B0927 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.30 OCC1=C(O)C=CC(Br)=C1 B9144 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.30 OCC1=CC(Br)=CC=C1F B9228 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.30 OCC1=CC(Cl)=CC=C1O C7473 [1,1,0,0,0,0|1,1,0]=4 347 B10R1.113 CC(=O)C1=CC=CC(Br)=C1 B8981 [1,1,0,0,0,0|0,0,1]=3 348 B10R1.113 CC(=O)C1=CC=CC(Br)=N1 A11417 [1,1,0,0,0,0|1,0,1]=4 349 B10R1.113 CC(=O)C1=CC=CC(F)=C1 F0654 [1,1,0,0,0,0|0,1,1]=4 350 B10R1.113 CC(=O)C1=CC=CC(N)=C1 A0078 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.113 CC(=O)C1=CN=CC(Br)=C1 A11415 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 C3699 [1,1,0,0,0,0|1,1,0]=4 353 B10R1.113 CC1=CC(C(=N)N)=CC=C1 M13856 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.113 CC1=CC(C(=N)N)=CC=C1 M19426 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.113 CN(C)C1=CC(O)=CC=C1 D1674 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.113 C[C@@H](N)C1=CC(N)=CC=C1 A7282 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.113 C[C@@H](N)C1=CC=CC(O)=C1 A7283 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.113 C[C@H](N)C1=CC(O)=CC=C1 A12640 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.113 FC(F)C1=CC(Br)=CC=C1 B9307 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 B13675 [1,1,0,0,0,0|0,0,1]=3 361 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 C13735 [1,1,0,0,0,0|0,1,1]=4 362 B10R1.113 N=C(N)C1=CC=CC(F)=C1 F14047 [1,1,0,0,0,0|0,1,1]=4 363 B10R1.113 NC(=O)C1=CC(N)=CC=C1 A0175 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.113 NC(=S)C1=CC(Cl)=CC=C1 C7888 [1,1,0,0,0,0|0,1,1]=4 365 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 B9883 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 B9063 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 B0312 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.113 OB(O)C1=CC(Br)=CC=C1 B5439 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.172 C(=O)C1=CC=CC(OC)=C1 M0860 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.172 CCC1=NC(CO)=CC=C1 E11444 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.172 COC1=CC=CC(CO)=C1 M0713 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.172 COC1=CC=CC(NN)=C1 M11083 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.172 N#CC1=CC=CC(CBr)=C1 B2424 [1,1,0,0,0,0|0,0,2]=4 374 B10R1.172 OCC1=CC=CC(CBr)=C1 B9071 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.176 C(=O)C1=CC=C(F)C(Br)=C1 B0343 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.176 CC1=CC=C(NN)C=C1Cl C8717 [1,1,0,0,0,0|1,1,0]=4 377 B10R1.176 COC1=CC(Br)=C(O)C=C1 B9145 [1,1,0,0,0,0|1,0,0]=3 378 B10R1.176 COC1=CC(C)=C(Br)C=C1 B9069 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.176 COC1=CC=C(Br)C(Cl)=C1 B9952 [1,1,0,0,0,0|1,1,0]=4 380 B10R1.176 COC1=CC=C(Br)C(F)=C1 B5539 [1,1,0,0,0,0|1,1,0]=4 381 B10R1.176 COC1=CC=C(C)C(Cl)=C1 C6757 [1,1,0,0,0,0|1,1,0]=4 382 B10R1.176 COC1=CC=C(C)C(Cl)=C1 C6757 [1,1,0,0,0,0|1,1,0]=4 383 B10R1.176 COC1=CC=C(F)C(F)=C1 D5210 [1,1,0,0,0,0|1,1,0]=4 384 B10R1.176 COC1=CC=C(O)C(Cl)=C1 C7474 [1,1,0,0,0,0|1,1,0]=4 385 B10R1.176 CSC1=CC(Cl)=C(Cl)C=C1 D3888 [1,1,0,0,0,0|1,1,0]=4 386 B10R1.176 ClCC1=CC(Cl)=C(Cl)C=C1 D1363 [1,1,0,0,0,0|1,1,0]=4 387 B10R1.176 FC1=C(Cl)C=C(CBr)C=C1 C10044 [1,1,0,0,0,0|1,1,0]=4 388 B10R1.176 FC1=C(F)C=C(CCl)C=C1 D7548 [1,1,0,0,0,0|1,1,0]=4 389 B10R1.176 FC1=CC(CCl)=CC=C1Cl F4172 [1,1,0,0,0,0|1,1,0]=4 390 B10R1.176 FC1=CC=C(CBr)C=C1F D4178 [1,1,0,0,0,0|1,1,0]=4 391 B10R1.176 N#CC1=CC(Br)=C(N)C=C1 B4231 [1,1,0,0,0,0|0,0,2]=4 392 B10R1.176 N#CC1=CC=C(F)C(Br)=C1 B3302 [1,1,0,0,0,0|0,0,2]=4 393 B10R1.176 N#CC1=CC=C(O)C(Br)=C1 B8928 [1,1,0,0,0,0|0,0,2]=4 394 B10R1.176 NC1=C(F)C=C(CO)C=C1 A14567 [1,1,0,0,0,0|1,1,0]=4 395 B10R1.176 NCC1=CC(Cl)=C(Cl)C=C1 D8047 [1,1,0,0,0,0|0,1,0]=3 396 B10R1.176 NCC1=CC=C(F)C(Cl)=C1 C4294 [1,1,0,0,0,0|0,1,0]=3 397 B10R1.176 NCC1=CC=C(F)C(F)=C1 D0995 [1,1,0,0,0,0|0,1,0]=3 398 B10R1.176 NNC1=CC(Cl)=C(F)C=C1 C8881 [1,1,0,0,0,0|1,1,0]=4 399 B10R1.176 NNC1=CC(F)=C(F)C=C1 D8231 [1,1,0,0,0,0|1,1,0]=4 400 B10R1.176 NNC1=CC=C(F)C(Cl)=C1 C7500 [1,1,0,0,0,0|1,1,0]=4 401 B10R1.176 OCC1=CC=C(Cl)C(Cl)=C1 D4310 [1,1,0,0,0,0|1,1,0]=4 402 B10R1.176 OCC1=CC=C(F)C(Br)=C1 B9226 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.176 OCC1=CC=C(F)C(F)=C1 D4312 [1,1,0,0,0,0|1,1,0]=4 404 B10R1.176 OCC1=CC=C(O)C(Br)=C1 B14684 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.1 CCOC1=CC=C(I)C=C1 I10965 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.1 CNCC1=CC=C(F)C=C1 F17963 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.1 ClC1=CC=C(CCBr)C=C1 B9884 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.1 FC1=CC=C(CCBr)C=C1 B9148 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.1 FC1=CC=C(CCCl)C=C1 C7477 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.1 N#CCC1=CC=C(Br)C=C1 B0747 [1,1,0,0,0,0|0,0,2]=4 411 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C18852 [1,1,0,0,0,0|0,0,2]=4 412 B10R1.1 N#CCC1=CC=C(F)C=C1 F0758 [1,1,0,0,0,0|0,0,2]=4 413 B10R1.1 N#CCC1=CC=C(N)C=C1 A0432 [1,1,0,0,0,0|0,0,2]=4 414 B10R1.1 N#CCC1=CC=C(O)C=C1 H0435 [1,1,0,0,0,0|0,0,2]=4 415 B10R1.1 NC1=CC=C(CCO)C=C1 A6857 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.1 NCCC1=CC=C(Br)C=C1 B2101 [1,1,0,0,0,0|0,0,0]=2 417 B10R1.1 NCCC1=CC=C(Cl)C=C1 C2522 [1,1,0,0,0,0|0,0,0]=2 418 B10R1.1 NCCC1=CC=C(N)C=C1 A18081 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.1 NCCC1=CC=C(N)C=C1 A18082 [1,1,0,0,0,0|0,0,0]=2 420 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [1,1,0,0,0,0|0,0,0]=2 421 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [1,1,0,0,0,0|0,0,0]=2 422 B10R1.1 OCCC1=CC=C(Br)C=C1 B18704 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.1 OCCC1=CC=C(F)C=C1 F4316 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.1 [C-]#[N+]CC1=CC=C(Br)C=C1 B8836 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.4 ClC1=C(CCBr)C=CC=C1 B9886 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.4 FC1=C(CCBr)C=CC=C1 B9149 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.4 N#CCC1=C(Br)C=CC=C1 B0604 [1,1,0,0,0,0|0,0,2]=4 428 B10R1.4 N#CCC1=CC=CC=C1Cl C5020 [1,1,0,0,0,0|0,0,2]=4 429 B10R1.4 N#CCC1=CC=CC=C1F F3993 [1,1,0,0,0,0|0,0,2]=4 430 B10R1.4 NCCC1=CC=CC=C1N A18075 [1,1,0,0,0,0|0,0,0]=2 431 B10R1.4 NCCC1=CC=CC=C1N A18076 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.4 NCCC1=CC=CC=C1O A15642 [1,1,0,0,0,0|0,0,0]=2 433 B10R1.15 CCC(=O)C1=CC=CC=C1 P18860 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 E6698 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.15 CC[C@H](N)C1=CC=CC=C1 E6699 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.15 NCC(=O)C1=CC=CC=C1 A17693 [1,1,0,0,0,0|0,0,1]=3 437 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A14785 [1,1,0,0,0,0|0,0,0]=2 438 B10R1.15 NC[C@H](O)C1=CC=CC=C1 A18262 [1,1,0,0,0,0|0,0,0]=2 439 B10R1.15 O=C(CBr)C1=CC=CC=C1 B17692 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P4802 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P4801 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.15 [C@@H](N)(CO)C1=CC=CC=C1 P5892 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 P1975 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.17 BrCCOC1=CC=CC=C1 B3358 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.17 CCCCC1=CC=CN=C1 B11443 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.17 CCCCC1=NC=CC=C1 B11448 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.17 CNCCC1=CC=CC=C1 M12421 [1,1,0,0,0,0|0,0,0]=2 453 B10R1.17 CNCCC1=CC=NC=C1 M12425 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.17 CNCCC1=NC=CC=C1 B5398 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.17 CNCCC1=NC=CC=C1 B6262 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.17 ClCCOC1=CC=CC=C1 C3357 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.17 ClCOCC1=CC=CC=C1 B7431 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.17 NCCOC1=CC=CC=C1 P3356 [1,1,0,0,0,0|0,0,0]=2 459 B10R1.17 OCCOC1=CC=CC=C1 P2904 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.18 CN(C)CC1=CC=CC=C1 D18840 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.18 N=C(N)CC1=CC=CC=C1 P13924 [1,1,0,0,0,0|0,0,1]=3 462 B10R1.18 N=C(N)CC1=CN=CC=C1 P13906 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.18 N=C(N)CC1=NC=CC=C1 P13905 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.18 N=C(N)NC1=CC=CC=C1 P8891 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.18 N=C(N)SC1=CC=CC=C1 P13914 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 C7929 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.18 NC(N)=NC1=CC=CC=C1 D8941 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.54 N=C(N)CC1=CC=C(Br)S1 B15985 [0,1,0,0,1,0|1,0,1]=4 469 B12R1.13 O=CC(C=O)C1=CC(Br)=CC=C1 B10176 [0,2,0,0,0,0|1,0,1]=4 470 B12R1.17 NC(CCO)C1=CC(F)=CC=C1 A14599 [0,2,0,0,0,0|1,1,0]=4 471 B12R1.17 NC1=CC([C@@H](N)CCO)=CC=C1 A18163 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 B18643 [0,2,0,0,0,0|1,0,0]=3 473 B12R1.17 N[C@@H](CCO)C1=CC=CC(Br)=C1 B18644 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.225 O=C(O)C(O)C1=CC(Br)=CC=C1 B10335 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.354 CCC(=O)C1=CC(Br)=CC=C1O B10262 [0,2,0,0,0,0|1,0,1]=4 476 B12R1.367 NCC(O)C1=CC(Cl)=C(Cl)C=C1 A14662 [0,2,0,0,0,0|0,1,0]=3 477 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 N7803 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 N4951 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 N4951 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.28 CC1=CC=CC(NCCC#N)=C1 T1572 [0,2,0,0,0,0|1,0,1]=4 481 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 B14248 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.100 CC1=CC(C)=CC(SCCO)=C1 D8291 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 A1801 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 H7709 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 B10265 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 F2687 [0,2,0,0,0,0|1,1,0]=4 487 B12R1.374 CC1=CC(SCCO)=C(C)C=C1 D8288 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.382 CNC1=CC(CCCO)=CC=C1 M7686 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.385 CC1=C(O)C=C(NCCO)C=C1 M7016 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.385 CC1=CC=C(SCCO)C=C1C D8290 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.385 CCCOC1=CC=C(N)C(N)=C1 P6665 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.101 O=C(O)CC1=CC(Br)=CC(Br)=C1 D4789 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.19 CC1=CC=C(CC(=N)N)C=C1C D13642 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.19 N=C(N)CC1=CC=C(Cl)C(Cl)=C1 D13774 [0,2,0,0,0,0|0,1,1]=4 495 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 B10333 [0,2,0,0,0,0|1,0,1]=4 496 B12R1.119 FC(F)(F)OC1=CC(Br)=CC=C1 B4556 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.127 N=C(N)CC1=CC(F)=CC=C1F D13768 [0,2,0,0,0,0|0,1,1]=4 498 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 M13859 [0,2,0,0,0,0|1,0,1]=4 499 B12R1.438 FC(F)OC1=CC(CBr)=CC=C1 D10548 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.286 COC1=CC(CCN)=CC=C1O M9172 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.288 COC1=C(Br)C=C(CC#N)C=C1 B10133 [0,2,0,0,0,0|0,0,2]=4 502 B12R1.288 COC1=CC=C(CCN)C=C1O H9171 [0,2,0,0,0,0|1,0,0]=3 503 B10R1.25 NCC1=CC=C(Br)C=C1F B10671 [0,0,1,1,0,0|1,0,1]=4 504 B10R1.25 NCC1=CC=C(Br)C=C1F B9181 [0,0,1,1,0,0|1,0,1]=4 505 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 P4799 [1,0,0,1,0,0|1,0,0]=3 506 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,1,0,0|1,0,0]=3 507 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 P4800 [1,0,0,1,0,0|1,0,0]=3 508 B10R2.7 C1=CC2=C(C=C1)OCO2 M1431 [1,0,0,1,0,0|2,0,0]=4 509 B10R2.7 C1=CN=C2CCCC2=C1 C2921 [1,0,0,1,0,0|2,0,0]=4 510 B10R2.7 C1=CN=C2NCCC2=C1 D12529 [1,0,0,1,0,0|1,0,0]=3 511 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 F11057 [0,1,0,1,0,0|0,1,1]=4 512 B12R2.1081 NC1=C2CCCCC2=CC=C1 T4743 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.132 CC1=CC=C2CCC(Cl)C2=C1 C17003 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.132 CC1=CC=C2CCC(N)C2=C1 M17107 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.132 CC1=CNC2=CC=C(Br)C=C12 B12404 [0,1,0,1,0,0|0,0,2]=4 516 B12R2.132 O=C1CCC2=CC=C(Br)C=C12 B13710 [0,1,0,1,0,0|1,0,1]=4 517 B12R2.196 O=C1CCC2=C1C=CC=C2Br B9482 [0,1,0,1,0,0|1,0,1]=4 518 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 B9673 [0,1,0,1,0,0|1,0,0]=3 519 B12R2.24 NC1=CC2=C(C=C1)CCNC2 T16041 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.24 NC1=CC2=C(C=C1)CCNC2 T16050 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.24 NC1=CC2=C(C=C1)CNCC2 A18084 [0,1,0,1,0,0|1,0,0]=3 522 B12R2.24 NC1=CC2=C(C=C1)CNCC2 T14235 [0,1,0,1,0,0|1,0,0]=3 523 B12R2.24 NC1=CC=C2CCCNC2=C1 A3707 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.24 OC1=CC2=C(C=C1)CNCC2 T16034 [0,1,0,1,0,0|1,0,0]=3 525 B12R2.24 OC1=CC2=C(C=C1)NCCC2 T14402 [0,1,0,1,0,0|1,0,0]=3 526 B12R2.24 OC1=CC=C2OCCOC2=C1 H14413 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.612 N1CC2=CC(Br)=CC=C2C1=O B19390 [0,1,0,1,0,0|1,0,1]=4 528 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B3805 [0,1,0,1,0,0|1,0,0]=3 529 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B3805 [0,1,0,1,0,0|1,0,0]=3 530 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C0119 [0,1,0,1,0,0|1,1,0]=4 531 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F0986 [0,1,0,1,0,0|1,1,0]=4 532 B12R2.612 O=C1CCC2=CC(O)=CC=C12 H4064 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 B3425 [0,1,0,1,0,0|1,0,1]=4 534 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 B3425 [0,1,0,1,0,0|1,0,1]=4 535 B12R2.246 FC1=CC2=C(OCC2)C(F)=C1 D7408 [0,1,0,1,0,0|1,1,0]=4 536 B12R2.246 OC1=CC(F)=CC2=C1OCC2 F7259 [0,1,0,1,0,0|1,1,0]=4 537 B12R2.606 NC1=CC=C2CC(N)CC2=C1 I13349 [0,1,0,1,0,0|1,0,0]=3 538 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)S1 A10271 [0,1,0,1,0,0|1,0,1]=4 539 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 H14834 [0,1,0,1,0,0|1,0,1]=4 540 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 B4472 [0,1,0,1,0,0|0,0,1]=3 541 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 B4472 [0,1,0,1,0,0|0,0,1]=3 542 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 F4471 [0,1,0,1,0,0|0,1,1]=4 543 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 F4471 [0,1,0,1,0,0|0,1,1]=4 544 B12R2.44 COC1=CC=C2NCCC2=C1 M11881 [0,1,0,1,0,0|1,0,0]=3 545 B12R2.44 N#CC1=CC=C2NCCC2=C1 C11879 [0,1,0,1,0,0|1,0,0]=3 546 B12R2.44 NCC1=CC=C2CCCC2=C1 A13467 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.44 OCC1=CC=C2CCCC2=C1 H13465 [0,1,0,1,0,0|2,0,0]=4 548 B12R2.100 FC1=CC2=C(C=C1F)NCC2 D11882 [0,1,0,1,0,0|0,1,0]=3 549 B12R2.100 FC1=CC2=C(C=C1F)NCC2 D11882 [0,1,0,1,0,0|0,1,0]=3 550 B8R1.11 BrCC1=C(Br)SC=C1 B18447 [1,0,0,0,1,0|2,0,0]=4 551 B8R1.11 NCC1=C(Br)SC=C1 B8668 [1,0,0,0,1,0|1,0,0]=3 552 B8R1.8 NCCC1=CC=CS1 T0651 [1,0,0,0,1,0|1,0,0]=3 553 B8R1.8 NCCC1=CNC=N1 H2293 [1,0,0,0,1,0|2,0,0]=4 554 B8R1.8 NCCC1=CNC=N1 H2389 [1,0,0,0,1,0|2,0,0]=4 555 B8R1.8 NCCC1=CSC=C1 A18159 [1,0,0,0,1,0|1,0,0]=3 556 B8R1.8 NCCN1C=CN=C1 E19344 [1,0,0,0,1,0|2,0,0]=4 557 B8R1.8 NCCN1C=CN=C1 I12545 [1,0,0,0,1,0|2,0,0]=4 558 B8R1.8 OCCC1=CC=CS1 T0443 [1,0,0,0,1,0|2,0,0]=4