0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 12060 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.18 CC(=O)NC1=CC=CC=C1 20132 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.8 COCC1=CC=CC=C1 102522 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [1,0,0,0,0,0|0,0,2]=3 9 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.8 NCCC1=CC=CC=C1 11614 [1,0,0,0,0,0|0,0,0]=1 12 B9R1.8 NCCC1=CC=CC=C1 12328 [1,0,0,0,0,0|0,0,0]=1 13 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [1,0,0,0,0,0|0,0,1]=2 15 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 15704 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.20 CC(C)CC1=CC=C(O)C=C1 17197 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 532 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 102171 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 20773 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.36 CC(C)C(C)C1=CC=CC=C1 15777 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 19771 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 102534 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.36 [NH3+]C(C(=O)O)C1=CC=CC=C1 102467 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.40 CC\C(C)=C/C1=CC=CC=C1 100800 [0,1,0,0,0,0|1,0,2]=4 25 B11R1.40 CC\C(I)=C/C1=CC=CC=C1 102669 [0,1,0,0,0,0|1,0,2]=4 26 B11R1.40 COC(=S)NC1=CC=CC=C1 10045 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.40 FCC(F)CC1=CC=CC=C1 102361 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.86 CC(=O)NC1=CC=CC=C1Br 17116 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.86 CC(=O)NC1=CC=CC=C1Cl 17122 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.86 NC1=C(OC(F)F)C=CC=C1 10011 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 102170 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 20759 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 102178 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.86 O=C(O)CC1=CC=CC=C1O 19282 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 17121 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 102173 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 102158 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 102175 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 20763 [0,1,0,0,0,0|3,0,0]=4 40 B11R2.10 CC1=NC2=CC=CC=C2N1 11720 [0,0,0,1,0,0|1,0,1]=3 41 B11R2.10 NC1=NC2=CC=CC=C2N1 500 [0,0,0,1,0,0|2,0,1]=4 42 B11R2.10 S=C1NC2=CC=CC=C2O1 18932 [0,0,0,1,0,0|2,0,1]=4 43 B11R2.10 SC1=NC2=C(C=CC=C2)N1 520 [0,0,0,1,0,0|2,0,1]=4 44 B11R2.59 CC1(C)CC2=CC=CC=C21 16581 [0,0,0,1,0,0|1,0,0]=2 45 B11R2.59 CC1(O)CC2=CC=CC=C21 16426 [0,0,0,1,0,0|1,0,0]=2 46 B11R2.59 ClC1(Cl)CC2=CC=CC=C21 16569 [0,0,0,1,0,0|2,0,0]=3 47 B11R2.59 [2H]C1(O)CC2=CC=CC=C21 16155 [0,0,0,1,0,0|2,0,0]=3 48 B9R1.6 NC(=S)C1=CC=CN=C1 20784 [0,0,0,0,1,0|2,0,1]=4 49 B9R1.6 O=C(O)C1=CC=CC=C1 15736 [0,0,0,0,1,0|2,0,1]=4 50 B11R1.91 C=C(C)\C=C/C1=CC=CC=C1 100560 [0,0,0,0,0,1|1,0,2]=4 51 B11R1.91 C=C(C)\C=C\C1=CC=CC=C1 100556 [0,0,0,0,0,1|1,0,2]=4 52 B11R1.91 CC(C)\C=C/C1=CC=CC=C1 100514 [0,0,0,0,0,1|1,0,1]=3 53 B11R1.91 O=C(O)CCC1=CC=CC=C1 19283 [0,0,0,0,0,1|2,0,1]=4 54 B11R1.91 O=S([O-])NCC1=CC=CC=C1 102536 [0,0,0,0,0,1|3,0,0]=4 55 B8R0.4 C=C\C=C\C=C\CCC 102625 [1,0,1,0,0,0|0,0,0]=2 56 B8R0.4 C=C\C=C\CCCCC 102639 [1,0,1,0,0,0|0,0,2]=4 57 B8R1.2 NCC1=NC=CC=C1 21601 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.10 CCOC1=CC(Cl)=CC=N1 102384 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.10 CCOC1=CC=CC(F)=N1 102383 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.10 N#CCC1=CC=CC(F)=C1 102623 [1,1,0,0,0,0|0,0,2]=4 64 B10R1.10 NCCC1=CC(O)=CC=C1 17137 [1,1,0,0,0,0|0,0,0]=2 65 B10R1.15 CC(C#N)C1=CC=CC=C1 14750 [1,1,0,0,0,0|0,0,2]=4 66 B10R1.15 CNC(=O)C1=CC=CC=C1 20760 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.15 C\C=C(\C)C1=CC=CC=C1 103072 [1,1,0,0,0,0|0,0,2]=4 68 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.15 OCC(O)C1=CC=CC=C1 731 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [1,1,0,0,0,0|0,0,1]=3 72 B10R1.17 CO\C=C\C1=CC=CC=C1 103085 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.17 N#C[Se]CC1=CC=CC=C1 20016 [1,1,0,0,0,0|0,0,2]=4 74 B10R1.13 CN(C)C1=CC=C(F)C=C1 102911 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.61 CN(C)C1=C(F)C=CC=C1 102910 [0,1,0,0,1,0|2,0,0]=4 76 B10R1.61 NC(=O)C1=CC=CC=C1F 102470 [0,1,0,0,1,0|1,0,1]=4 77 B10R1.61 NC(=O)C1=CC=CC=C1I 10354 [0,1,0,0,1,0|1,0,1]=4 78 B10R1.113 CN(C)C1=CC(F)=CC=C1 102890 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.113 NC(=O)C1=CC=CC(F)=C1 102469 [0,1,0,0,1,0|1,0,1]=4 80 B12R1.27 CCC(O)\C=C\C1=CC=CC=C1 100526 [0,1,0,0,0,1|1,0,1]=4 81 B12R1.27 COC(=O)CCC1=CC=CC=C1 19761 [0,1,0,0,0,1|1,0,1]=4 82 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 19804 [0,1,0,0,0,1|1,0,1]=4 83 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 20898 [0,1,0,0,0,1|1,0,1]=4 84 B12R1.107 C\C(N)=C\C(=O)C1=CC=CC=C1 13294 [0,1,0,0,0,1|0,0,2]=4 85 B12R1.125 CC(=O)OCC1=CC=CC=C1C 16781 [0,1,0,0,0,1|1,0,1]=4 86 B12R1.891 CC(C)(C)\C=C/C1=CC=CC=C1 100538 [0,1,0,0,0,1|1,0,1]=4 87 B12R1.34 C\C(=C\N)C(=O)C1=CC=CC=C1 13309 [0,2,0,0,0,0|0,0,2]=4 88 B12R1.253 CC(F)(C(N)=O)C1=CC=CC=C1 101107 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.253 CC(O)(C(N)=O)C1=CC=CC=C1 101105 [0,2,0,0,0,0|1,0,1]=4 90 B12R1.564 CC(C)(C)[S@+]([O-])C1=CC=CC=C1 18220 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.564 CC(C)(C)[S@@+]([O-])C1=CC=CC=C1 18405 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.564 CC(C)(O)C(O)C1=CC=CC=C1 1124 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.151 CC1=CC=CC=C1C[Si](C)(C)C 16767 [0,2,0,0,0,0|1,1,0]=4 94 B12R1.151 C[Si](C)(C)CC1=CC=CC=C1Cl 16024 [0,2,0,0,0,0|1,1,0]=4 95 B10R2.320 CC1CC2=CC=CC=C21 16579 [1,0,0,1,0,0|0,0,0]=2 96 B10R2.320 ClC1CC2=CC=CC=C21 16435 [1,0,0,1,0,0|1,0,0]=3 97 B10R2.320 O=C1CC2=CC=CC=C12 16218 [1,0,0,1,0,0|1,0,1]=4 98 B10R2.320 OC1CC2=CC=CC=C21 16154 [1,0,0,1,0,0|1,0,0]=3 99 B10R2.320 [NH3+]C1CC2=CC=CC=C21 16601 [1,0,0,1,0,0|0,0,1]=3 100 B12R2.24 CN1CCC2=CC=CC=C2C1 101931 [0,0,0,1,0,1|2,0,0]=4 101 B12R2.24 O=C1CC2=CC=CC=C2CO1 16340 [0,0,0,1,0,1|1,0,1]=4 102 B12R2.24 O=C1CSC2=CC=CC=C2N1 102677 [0,0,0,1,0,1|1,0,1]=4 103 B12R2.2403 CC1(C)C=CC2=CC=CC=C21 16650 [0,0,0,1,0,1|1,0,1]=4 104 B12R2.2403 CC1(C)C=NC2=CC=CC=C21 16056 [0,0,0,1,0,1|1,0,1]=4 105 B12R2.18 CC1=C(C)C2=CC=CC=C2C1 16651 [0,1,0,1,0,0|1,0,1]=4 106 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 16046 [0,1,0,1,0,0|0,0,2]=4 107 B12R2.18 CC1=CC2=CC=CC=C2C1O 16748 [0,1,0,1,0,0|1,0,1]=4 108 B12R2.18 CC1CC2=CC=CC=C2C1=O 16626 [0,1,0,1,0,0|1,0,0]=3 109 B12R2.18 CN1C(=O)CC2=CC=CC=C21 18631 [0,1,0,1,0,0|1,0,1]=4 110 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O 19197 [0,1,0,1,0,0|1,0,0]=3 111 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 22222 [0,1,0,1,0,0|1,0,1]=4 112 B12R2.2051 C=CC1(C)CC2=CC=CC=C21 16580 [0,1,0,1,0,0|1,0,0]=3 113 B12R2.2051 N#CC1(Cl)CC2=CC=CC=C21 16691 [0,1,0,1,0,0|1,0,1]=4 114 B12R2.95 O=S1(=O)CC2=CC=CC=C2C1 16358 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.1095 CC1(O)CC2=CC=CC(Br)=C21 16489 [0,1,0,1,0,0|1,0,0]=3 116 B12R2.1095 CC1(O)CC2=CC=CC(Cl)=C21 16427 [0,1,0,1,0,0|1,0,0]=3 117 B12R2.1095 CC1(O)CC2=CC=CC(F)=C21 16428 [0,1,0,1,0,0|1,0,0]=3 118 B12R1.252 CC(=O)NCCC1=CC=CC=C1 13725 [0,0,0,0,0,2|1,0,1]=4 119 B12R1.252 CC(C)=CCCC1=CC=CC=C1 12062 [0,0,0,0,0,2|1,0,1]=4