0 B10R1.17 C=C\C=C\C1=CC=CC=C1 103200 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 N#C[Se]CC1=CC=CC=C1 20016 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 O=CNNC1=CC=CC=C1 16370 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.8 COCC1=CC=CC=C1 102522 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 NCCC1=CC=CC=C1 11614 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.8 NCCC1=CC=CC=C1 12328 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.1 CCCCC1=CC=C(O)C=C1 17214 [0,1,0,0,0,0|1,0,2]=4 15 B11R1.1 CCCOC1=CC=C(O)C=C1 17213 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.16 N#CCC(=O)C1=CC=CC=C1 502 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12193 [0,1,0,0,0,0|0,0,2]=3 18 B11R1.16 O=C(\C=C/[O-])C1=CC=CC=C1 12194 [0,1,0,0,0,0|0,0,2]=3 19 B11R1.16 OCCC(O)C1=CC=CC=C1 12195 [0,1,0,0,0,0|0,0,2]=3 20 B11R1.28 CCC\C=C\C1=CC=CC=C1 100517 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.28 C\C=C\C=C/C1=CC=CC=C1 100530 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.28 C\C=C\CNC1=CC=CC=C1 100873 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [0,1,0,0,0,0|0,0,3]=4 31 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 12253 [0,1,0,0,0,0|0,0,1]=2 32 B9R0.45 C\C=C\C=C/C=C/CCC 102629 [0,0,1,0,0,0|1,0,2]=4 33 B11R2.1 CC1=CCC2=CC=CC=C12 16664 [0,0,0,1,0,0|1,0,2]=4 34 B11R2.1 CC1C=CC2=CC=CC=C21 16652 [0,0,0,1,0,0|1,0,0]=2 35 B11R2.20 C1=CC=C2C=NC=CC2=C1 101921 [0,0,0,1,0,0|2,0,0]=3 36 B11R2.20 C1=CC=C2N=CC=CC2=C1 101934 [0,0,0,1,0,0|1,0,1]=3 37 B11R2.20 C1=CC=C2OCC=CC2=C1 16689 [0,0,0,1,0,0|0,0,0]=1 38 B11R2.988 ON=C1CC2=CC=CC=C21 16706 [0,0,0,1,0,0|1,0,1]=3 39 B8R0.4 C=C\C=C\C=C\CCC 102625 [1,0,1,0,0,0|0,0,2]=4 40 B8R1.2 NCC1=NC=CC=C1 21601 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.1 O\N=CC1=CC=C(Br)C=C1 20648 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.1 O\N=CC1=CC=C(C)C=C1 20713 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 19845 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.1 O\N=C\C1=CC=C(O)C=C1 15709 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.4 CC1=C(\C=N\O)C=NC=C1 15754 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.4 CC1=CC=CC=C1NC=O 20052 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.4 O\N=CC1=CC=CC=C1Br 20508 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.10 NCCC1=CC(O)=CC=C1 17137 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.10 O\N=C\C1=CC=CC(Br)=C1 102460 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.10 O\N=C\C1=CC=CC(Cl)=C1 102223 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.10 O\N=C\C1=CC=CC(O)=C1 102535 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.15 C#CC(=O)C1=CC=CC=C1 20316 [1,1,0,0,0,0|0,0,2]=4 56 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.15 C\C(=C/Cl)C1=CC=CC=C1 103092 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.15 C\C(=N/O)C1=CC=CC=C1 16747 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.15 N\C(=N\O)C1=CC=CC=C1 12254 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.15 OCC(O)C1=CC=CC=C1 731 [1,1,0,0,0,0|0,0,1]=3 64 B10R1.15 O\N=C(\O)C1=CC=CC=C1 12250 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.18 BrC(Br)=CC1=CC=CC=C1 12060 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [1,1,0,0,0,0|0,0,1]=3 67 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [1,1,0,0,0,0|0,0,1]=3 70 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [1,1,0,0,0,0|0,0,1]=3 71 B10R1.66 O=C(O)C=CC1=CC=CO1 13414 [0,1,0,0,1,0|1,0,1]=4 72 B12R1.1 COCOCC1=CC=C(F)C=C1 102897 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 523 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 15716 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 17096 [0,2,0,0,0,0|0,0,1]=3 76 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 15283 [0,2,0,0,0,0|0,0,1]=3 77 B12R1.71 C=C\C=C/C1=CC=C(C#N)C=C1 100545 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.71 C=C\C=C\C1=CC=C(OC)C=C1 100513 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.3 O=C\C(=C/NO)C1=CC=CC=C1 11881 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.30 CCC\N=C(/C)C1=CC=CC=C1 19936 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.30 CC\C=C\C(O)C1=CC=CC=C1 100808 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.30 CN\C=C/C(=O)C1=CC=CC=C1 13285 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.30 OCC#CC(O)C1=CC=CC=C1 103162 [0,2,0,0,0,0|0,0,2]=4 84 B12R1.30 OC\C=C/C(O)C1=CC=CC=C1 103123 [0,2,0,0,0,0|0,0,0]=2 85 B12R1.30 OC\C=C\C(O)C1=CC=CC=C1 103122 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.34 C\C(=C\N)C(=O)C1=CC=CC=C1 13309 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 13294 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.125 CC1=C(C=CC(=O)O)C=NC=C1 17150 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=C1 11093 [0,2,0,0,0,0|0,0,1]=3 90 B12R1.267 COCOCC1=C(F)C=CC=C1 102894 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.28 COCOCC1=CC(F)=CC=C1 102892 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 17097 [0,2,0,0,0,0|0,0,1]=3 93 B12R1.8 CCCC\C=C/C1=CC=CC=C1 100548 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.8 CCC\C=C/CC1=CC=CC=C1 100559 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.27 CCC(O)\C=C\C1=CC=CC=C1 100526 [0,2,0,0,0,0|0,0,0]=2 96 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 103161 [0,2,0,0,0,0|0,0,1]=3 97 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 19785 [0,2,0,0,0,0|1,0,1]=4 98 B12R1.32 CCC\C(I)=C/C1=CC=CC=C1 100551 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.252 CC(C)=C\C=C/C1=CC=CC=C1 100549 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.252 O=C(O)CCCC1=CC=CC=C1 18169 [0,2,0,0,0,0|0,0,2]=4 101 B12R1.252 O=C(O)CSCC1=CC=CC=C1 10410 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 15432 [0,2,0,0,0,0|0,0,2]=4 103 B12R1.118 N#CC(C#N)=CC1=CC=CC=C1 14934 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.891 CC(C)(C)\C=C/C1=CC=CC=C1 100538 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.891 C[Si](C)(C)\C=C\C1=CC=CC=C1 103081 [0,2,0,0,0,0|1,1,0]=4 106 B10R1.30 OCC1=CC(F)=CC=C1F 102036 [0,0,1,1,0,0|2,0,0]=4 107 B10R2.320 CC1CC2=CC=CC=C21 16579 [1,0,0,1,0,0|0,0,2]=4 108 B10R2.320 ClC1CC2=CC=CC=C21 16435 [1,0,0,1,0,0|1,0,1]=4 109 B10R2.320 O=C1CC2=CC=CC=C12 16218 [1,0,0,1,0,0|0,0,2]=4 110 B10R2.320 OC1CC2=CC=CC=C21 16154 [1,0,0,1,0,0|0,0,1]=3 111 B10R2.320 [NH3+]C1CC2=CC=CC=C21 16601 [1,0,0,1,0,0|1,0,1]=4 112 B12R2.2017 C1=CC=C2C=CC=CC(=C1)C2 16521 [0,0,0,1,0,1|1,0,1]=4 113 B12R2.2017 C1=CC=C2C=CC=CC(=C1)[CH+]2 15133 [0,0,0,1,0,1|1,0,1]=4 114 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 101960 [0,1,0,1,0,0|1,0,1]=4 115 B12R2.24 CC1=CC2=CC=CC=C2C=N1 16471 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.24 C[N+]1=CC2=CC=CC=C2C=C1 15360 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.24 FC1=CC2=C(C=CC=C2)N=C1 100817 [0,1,0,1,0,0|1,0,1]=4 118 B12R2.24 O=C1C=CC2=CC=CC=C2N1 101464 [0,1,0,1,0,0|0,0,2]=4 119 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [0,1,0,1,0,0|1,1,0]=4 120 B12R2.132 OC1CCC2=CC=C(Br)C=C21 19214 [0,1,0,1,0,0|0,0,2]=4 121 B12R2.2 C1=CC=C(C2=CON=C2)C=C1 11880 [0,1,0,1,0,0|1,0,0]=3 122 B12R2.2 C1=CC=C(C2=NCCC2)C=C1 19934 [0,1,0,1,0,0|1,0,1]=4 123 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 101970 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.1081 O=C1C=CCC2=CC=CC=C12 18244 [0,1,0,1,0,0|0,0,2]=4 125 B12R2.1081 O=C1C=CNC2=CC=CC=C12 101470 [0,1,0,1,0,0|0,0,2]=4 126 B12R2.2028 CC1=CC(O)C2=CC=CC=C12 16634 [0,1,0,1,0,0|0,0,0]=2 127 B12R2.2028 CC1C=C(Cl)C2=CC=CC=C21 16666 [0,1,0,1,0,0|1,0,0]=3 128 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 16621 [0,1,0,1,0,0|1,0,1]=4 129 B12R2.2028 O=C1C=[N+]([O-])C2=CC=CC=C12 10666 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 16304 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 22222 [0,1,0,1,0,0|1,0,1]=4 132 B12R2.32 N#CC1=CC2=CC=CC=C2C1 16646 [0,1,0,1,0,0|1,0,1]=4 133 B12R2.1 COC1=CCC2=CC=CC=C21 16665 [0,1,0,1,0,0|0,0,2]=4 134 B12R2.1 O=CC1C=NC2=CC=CC=C21 20920 [0,1,0,1,0,0|1,0,1]=4 135 B12R2.18 CC1=CC2=CC=CC=C2C1O 16748 [0,1,0,1,0,0|0,0,0]=2 136 B12R2.2403 CC1(C)C=CC2=CC=CC=C21 16650 [0,1,0,1,0,0|1,0,0]=3 137 B12R2.2403 CC1(C)C=NC2=CC=CC=C21 16056 [0,1,0,1,0,0|2,0,0]=4