0 B10R1.4 CC1=C(CC#N)C=CC=C1 C02596 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.8 CCNC1=CC=CC=C1 C14455 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.8 N#CCC1=CC=CC=C1 C16074 [1,0,0,0,0,0|0,0,2]=3 3 B9R1.8 NCCC1=CC=CC=C1 C05332 [1,0,0,0,0,0|0,0,0]=1 4 B9R1.8 O=CCC1=CC=CC=C1 C00601 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.8 OCCC1=CC=CC=C1 C05853 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.15 CC1=C(C=O)C=CC=C1 C07214 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.15 CC1=C(CO)C=CC=C1 C07213 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.15 CCC1=C(C)C=CC=C1 C14572 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.15 CCC1=CC=CC=C1O C14385 [1,0,0,0,0,0|0,0,0]=1 10 B9R1.15 COC1=C(N)C=CC=C1 C19191 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.15 COC1=CC=CC=C1I C03575 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 COC1=CC=CC=C1O C01502 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.15 COC1=CC=CC=C1O C15572 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.15 NNC1=C(Cl)C=CC=C1 C11582 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.15 O=CC1=C(O)C=CC=C1 C06202 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.15 OCC1=CC=CC=C1O C02323 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.81 [*]\C=C\C1=CC=C(O)C=C1O C18089 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.86 O=C(O)CC1=CC=CC=C1O C05852 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.222 CCC(C)C1=CC=CC=C1O C14138 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.222 COC(=O)C1=CC=CC=C1O C12305 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 C11343 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.15 C=C\C=C(/CCC)C(=O)O C16656 [0,0,1,0,0,0|2,0,0]=3 23 B11R2.10 NC1=NC2=C(C=CC=C2)N1 C10901 [0,0,0,1,0,0|2,0,1]=4 24 B11R2.10 O=C1CC2=C(C=CC=C2)N1 C12312 [0,0,0,1,0,0|2,0,1]=4 25 B11R2.10 O=C1CC2=CC=CC=C2C1 C07727 [0,0,0,1,0,0|2,0,1]=4 26 B11R2.20 C1=CC=C2CCCCC2=C1 C14114 [0,0,0,1,0,0|2,0,0]=3 27 B11R2.106 OC1=C2C=CNC2=CC=C1 C02040 [0,0,0,1,0,0|0,0,2]=3 28 B9R1.33 CC1=C(CCN)N=CN1 C17929 [0,0,0,0,1,0|3,0,0]=4 29 B8R1.2 C=CC1=CC=CC=C1 C07083 [2,0,0,0,0,0|0,0,2]=4 30 B8R1.2 C=CC1=CC=CC=C1 C19506 [2,0,0,0,0,0|0,0,2]=4 31 B8R1.2 C=CC1=CC=CC=C1 C19573 [2,0,0,0,0,0|0,0,2]=4 32 B8R1.2 C=CC1=CC=CC=C1 C19575 [2,0,0,0,0,0|0,0,2]=4 33 B8R1.2 CCC1=CC=CC=C1 C07111 [2,0,0,0,0,0|0,0,0]=2 34 B8R1.2 CNC1=CC=CC=C1 C02299 [2,0,0,0,0,0|1,0,0]=3 35 B8R1.2 COC1=CC=CC=C1 C01403 [2,0,0,0,0,0|1,0,0]=3 36 B8R1.2 ClCC1=CC=CC=C1 C19167 [2,0,0,0,0,0|1,0,0]=3 37 B8R1.2 N#CC1=CC=CC=C1 C09814 [2,0,0,0,0,0|0,0,2]=4 38 B8R1.2 N#[N+]C1=CC=CC=C1 C20284 [2,0,0,0,0,0|1,0,1]=4 39 B8R1.2 NCC1=CC=CC=C1 C15562 [2,0,0,0,0,0|0,0,0]=2 40 B8R1.2 NCC1=CC=CC=N1 C17926 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.2 NNC1=CC=CC=C1 C02304 [2,0,0,0,0,0|1,0,0]=3 42 B8R1.2 O=CC1=CC=CC=C1 C00193 [2,0,0,0,0,0|1,0,1]=4 43 B8R1.2 O=CC1=CC=CC=C1 C00261 [2,0,0,0,0,0|1,0,1]=4 44 B8R1.2 O=NC1=CC=CC=C1 C06876 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 OCC1=CC=CC=C1 C00556 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.2 OCC1=CC=CC=C1 C03485 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.2 ONC1=CC=CC=C1 C02720 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.5 CC1=C(C)C=CC=C1 C07212 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.5 CC1=C(N)C=CC=C1 C14403 [2,0,0,0,0,0|1,0,0]=3 50 B8R1.5 CC1=CC=CC=C1O C01542 [2,0,0,0,0,0|0,0,0]=2 51 B8R1.5 ClC1=C(Cl)C=CC=C1 C14328 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.5 N=C1C=CC=CC1=O C17500 [2,0,0,0,0,0|0,0,2]=4 53 B8R1.5 NC1=C(F)C=CC=C1 C11010 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.5 NC1=C(N)C=CC=C1 C14402 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.5 NC1=CC=CC=C1O C01987 [2,0,0,0,0,0|0,0,0]=2 56 B8R1.5 O=C1C=CC=CC1=O C02351 [2,0,0,0,0,0|1,0,1]=4 57 B8R1.5 O=C1C=CNC=C1O C03927 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.5 OC1=C(Br)C=CC=C1 C14841 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.5 OC1=C(O)C=CC=C1 C01785 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.5 OC1=CC=CC=C1Cl C14219 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.5 OC1=CC=CC=C1I C01874 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.5 OC1=CC=CC=C1O C00090 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.5 OC1=CC=CC=C1O C15571 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.5 OC1=CC=NC=C1O C02932 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.5 [O]C1=C(O)C=CC=C1 C05060 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.1 C=CCC1=CC=C(O)C=C1 C16930 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.1 CCCC1=CC=C(O)C=C1 C14311 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.1 N#CCC1=CC=C(Cl)C=C1 C03679 [1,1,0,0,0,0|0,0,2]=4 69 B10R1.1 N#CCC1=CC=C(O)C=C1 C03766 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.1 NCCC1=CC=C(O)C=C1 C00483 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.1 O=CCC1=CC=C(O)C=C1 C03765 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.1 OCCC1=CC=C(O)C=C1 C06044 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.1 [*]C1=CC=C(CC#N)C=C1 C04116 [1,1,0,0,0,0|0,0,2]=4 74 B10R1.15 CCC(C)C1=CC=CC=C1 C14142 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 C02615 [1,1,0,0,0,0|0,0,2]=4 76 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 C00561 [1,1,0,0,0,0|0,0,2]=4 77 B10R1.15 NCC(O)C1=CC=CC=C1 C02735 [1,1,0,0,0,0|0,0,0]=2 78 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.17 CCCCC1=CC=CC=C1 C18150 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.17 COCCC1=NC=CC=C1 C18396 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.17 N#CSCC1=CC=CC=C1 C02660 [1,1,0,0,0,0|0,0,2]=4 82 B10R1.17 NNCCC1=CC=CC=C1 C07430 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.17 NNCCC1=CC=CC=C1 C07431 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.17 O=CNCC1=CC=CC=C1 C15561 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.17 O=COCC1=CC=CC=C1 C05613 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.17 OC\C=C\C1=CC=CC=C1 C02394 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.17 O\N=C/CC1=CC=CC=C1 C16075 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.17 O\N=C\CC1=CC=CC=C1 C19714 [1,1,0,0,0,0|0,0,2]=4 89 B10R1.17 S=C=NCC1=CC=CC=C1 C03098 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.18 CC(N)CC1=CC=CC=C1 C07514 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.18 C[C@H](N)CC1=CC=CC=C1 C07884 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.18 NC(=O)CC1=CC=CC=C1 C02505 [1,1,0,0,0,0|0,0,1]=3 94 B10R1.18 NC(=S)CC1=CC=CC=N1 C15663 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.18 O=C(O)CC1=CC=CC=C1 C07086 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.2 C=CC1=CC=CC(O)=C1O C07085 [1,1,0,0,0,0|0,0,2]=4 97 B10R1.2 CC1=C(O)C(C=O)=CC=C1 C14087 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.2 CCC1=C(O)C(=O)C=CO1 C20362 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.2 CCC1=CC=CC(O)=C1O C06728 [1,1,0,0,0,0|0,0,0]=2 100 B10R1.2 CCC1=CC=C[C@H](O)[C@@H]1O C06727 [1,1,0,0,0,0|0,0,2]=4 101 B10R1.2 COC1=CC=CC(I)=C1O C12251 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.25 COC1=C(N)C=C(C)C=C1 C19216 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.25 COC1=C(N)C=C(N)C=C1 C19218 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.30 O=CC1=C(O)C=CC(O)=C1 C05585 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.30 OCC1=CC(O)=CC=C1O C10792 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.61 O=C(O)C1=CC=CC=C1O C00805 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 C07587 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O C01988 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.69 CCCCC1=CC=C(O)C=C1O C18343 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.125 O=C(O)CCC1=CC=CC=C1O C01198 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 C00544 [0,2,0,0,0,0|1,0,1]=4 112 B12R1.1009 O=C(O)CC1=C(O)C=CC=C1O C06207 [0,2,0,0,0,0|1,0,1]=4 113 B10R1.113 NC1C=CC=C(C(=O)O)C1 C12110 [0,0,1,1,0,0|1,0,0]=3 114 B10R2.6 C1=CC=C(C2CO2)C=C1 C02083 [1,0,0,1,0,0|1,0,0]=3 115 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 C20782 [1,0,0,1,0,0|1,0,0]=3 116 B10R2.7 C1=CC2=C(C=C1)NC=C2 C00463 [1,0,0,1,0,0|0,0,2]=4 117 B10R2.7 C1=CC=C2NC=NC2=C1 C02009 [1,0,0,1,0,0|1,0,1]=4 118 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 C07728 [0,1,0,1,0,0|1,0,1]=4 119 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 C02274 [0,1,0,1,0,0|1,0,0]=3 120 B12R2.24 OC1=CC=C2CCCCC2=C1 C14309 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.1 NCC1=CNC2=CC=CC=C12 C21601 [0,1,0,1,0,0|1,0,1]=4 122 B12R2.606 NC1=NC2=CC(Cl)=CC=C2O1 C13841 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.8 NCCC1=CNC=N1 C00388 [1,0,0,0,1,0|2,0,0]=4 124 B8R1.8 NCCC1=NC=CS1 C17927 [1,0,0,0,1,0|2,0,0]=4