0 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.17 COCCC1=NC=CC=C1 D91306 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 NCC#CC1=CC=CC=C1 AB10165 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 NCCNC1=NC=CC=C1 C78639 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 NCCOC1=CN=CC=C1 E71907 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 OCCNC1=CC=NC=C1 AT18123 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 CCOC1=CN=NC=C1 C16860 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.8 CNCC1=NC=CN=C1 P10399 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 CNCC1=NC=NC=C1 AT18327 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 CNCC1=NC=NC=C1 I11999 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.8 CSCC1=CC=CC=C1 D88728 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [1,0,0,0,0,0|0,0,2]=3 14 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [1,0,0,0,0,0|0,0,2]=3 15 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.1 C#CCOC1=CC=C(Br)C=C1 C78146 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.1 C#CCOC1=CC=C(C)C=C1 C78308 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.1 C=CCOC1=CC=C(C)C=C1 H10881 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.1 CCCOC1=CC=C(N)C=C1 71058 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.1 CCCOC1=NC=C(Br)C=C1 F19674 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.1 CNCCC1=CC=C(Cl)C=C1 29906 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.1 CNCCC1=CC=C(F)C=C1 C15824 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.1 CN\N=N\C1=CC=C(C)C=C1 A12264 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.1 N#CCSC1=CC=C(Cl)C=C1 77531 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.1 NC1=CC=C(CCCO)C=C1 A50572 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.1 NCCCC1=CC=C(Br)C=C1 C78387 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.1 NCCCC1=CC=C(F)C=C1 C77698 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.1 NCCOC1=CC=C(Br)C=C1 C78109 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.1 NCCOC1=CC=C(I)C=C1 C14896 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.16 C#CCN(C)C1=CC=CC=C1 E72607 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y12255 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.16 CCC[C@H](N)C1=CC=CN=C1 N12309 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.16 CCC[C@H](N)C1=NC=CC=C1 N12437 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.16 CNOC(=O)C1=CC=CC=C1 T70697 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12470 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.16 COC[C@H](N)C1=CC=CC=C1 W18573 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.17 BrCCOC1=C(Br)C=CC=C1 N11524 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.17 C#CCOC1=C(C)C=CC=C1 C78309 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.17 C=CCOC1=C(C)C=CC=C1 D88409 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.17 CCCCC1=NC=CN=C1C C14959 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.17 CCOCC1=C(Br)C=CC=C1 N10194 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.17 NCCOC1=C(Br)C=CC=C1 C78110 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.17 O=CCCC1=C(Br)C=CC=C1 29935 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.17 OCCOC1=C(Br)C=CC=C1 N11733 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.24 C=CCOC1=CC(N)=CC=C1 N12360 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.24 CC1=CC=CC(CCCO)=C1 C12553 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.24 CC1=CC=CC(OCCO)=C1 D90477 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.24 CNCCC1=CC(C)=CC=C1 C77877 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.24 COCOC1=CC=CC(Cl)=C1 AC7215 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.24 NCCCC1=CC=CC(Br)=C1 C77975 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.24 NCCCC1=CC=CC(F)=C1 C77729 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.28 CCCC#CC1=CC=CC=C1 D73344 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.28 CCCCNC1=CC=CC=C1 D88676 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.28 CNCCOC1=CC=CC=C1 H11358 [0,1,0,0,0,0|0,0,0]=1 55 B11R1.28 ClCCOCC1=CC=CC=C1 N12052 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.28 N#CCCCC1=CC=CC=C1 D92056 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.28 NCCCCC1=CC=CC=C1 D88453 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.28 OCCSCC1=CC=CC=C1 D89046 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.40 COC(=O)CC1=CC=NC=C1 31807 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 77458 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98060 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR2912 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.91 C=C(C)OCC1=CC=CC=C1 T70780 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.91 CC(C)=NCC1=CC=CC=C1 92550 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.91 CC(C)CCC1=CC=CC=C1 D91368 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.91 CN(C)CCC1=CC=CC=C1 F12472 [0,1,0,0,0,0|0,0,0]=1 68 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 30788 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 F20201 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97163 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 D97164 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.91 N=C(N)COC1=CC=CC=C1 29590 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.91 NC(=O)CSC1=CC=CC=C1 97376 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.91 O=C([O-])COC1=CC=CC=C1 D91898 [0,1,0,0,0,0|3,0,0]=4 75 B11R2.1 NN1CCC2=C1C=CC=C2 AC7277 [0,0,0,1,0,0|1,0,0]=2 76 B11R2.1 N[C@H]1CCC2=CC=CN=C21 87181 [0,0,0,1,0,0|3,0,0]=4 77 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10935 [0,0,0,1,0,0|3,0,0]=4 78 B11R2.238 C1=CC=C(C[C@H]2CO2)C=C1 F20875 [0,0,0,1,0,0|1,0,0]=2 79 B11R2.988 N#C[C@H]1CC2=C1C=CC=C2 67732 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.12 BrCCCN1C=CC=C1 H11736 [0,0,0,0,1,0|3,0,0]=4 81 B9R1.12 CCCCC1=CCC=C1 F14008 [0,0,0,0,1,0|1,0,1]=3 82 B9R1.12 CCCCN1C=CN=C1 D95315 [0,0,0,0,1,0|3,0,0]=4 83 B8R1.2 BrCC1=NC=CC=C1 D87709 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.2 C#CC1=CC=CC=C1 D90456 [2,0,0,0,0,0|0,0,2]=4 85 B8R1.2 CCC1=CC=CN=C1 D87724 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.2 CCC1=CC=NC=C1 D90449 [2,0,0,0,0,0|1,0,0]=3 87 B8R1.2 CCC1=NC=CC=C1 AT23190 [2,0,0,0,0,0|1,0,0]=3 88 B8R1.2 ClCC1=CC=NC=C1 D88171 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.2 ICC1=CN=CC=C1 AC6646 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 NCC1=CC=CC=C1 T70936 [2,0,0,0,0,0|0,0,0]=2 91 B8R1.2 NCC1=CN=CN=C1 P15266 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 NNC1=CC=CC=C1 D91920 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.2 NNC1=CC=NC=C1 76124 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.2 NNC1=CC=NC=C1 W10667 [2,0,0,0,0,0|2,0,0]=4 95 B10R0.71 C=C\C=C\C=C\CCCCC D92769 [0,1,1,0,0,0|1,0,0]=3 96 B10R1.1 C=CCC1=CC=C(C)C=C1 D76863 [1,1,0,0,0,0|0,0,2]=4 97 B10R1.1 CC1=CC=C(SCCl)C=C1 T70798 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.1 CCCC1=CC=C(C)C=C1 D92007 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.1 CCNC1=CC=C(C)C=C1 D90452 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.1 CCNC1=NC=C(Br)C=C1 97201 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.1 CCOC1=CC=C(Cl)C=C1 D89219 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.1 CCOC1=CC=C(S)C=C1 AT20902 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.1 CCOC1=NC=C(F)C=C1 D74953 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.1 CCOC1=NC=C(N)C=C1 O11589 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.1 CNCC1=CC=C(F)C=C1 26027 [1,1,0,0,0,0|0,0,0]=2 106 B10R1.1 FC1=CC=C(CCCl)C=C1 D90675 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.1 NCCC1=CC=C(F)C=C1 D90699 [1,1,0,0,0,0|0,0,0]=2 108 B10R1.1 NCCC1=CC=C(F)C=C1 D90702 [1,1,0,0,0,0|0,0,0]=2 109 B10R1.1 NNCC1=CC=C(Br)C=C1 P10525 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.1 NNCC1=CC=C(Cl)C=C1 D86183 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.1 NNCC1=CC=C(F)C=C1 P10415 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [1,1,0,0,0,0|0,0,2]=4 113 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [1,1,0,0,0,0|0,0,2]=4 114 B10R1.4 CC1=C(N=NN)C=CC=C1 D88287 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [1,1,0,0,0,0|0,0,0]=2 116 B10R1.4 CCCC1=NC=CN=C1C D91392 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [1,1,0,0,0,0|0,0,0]=2 121 B10R1.4 NCCN1C=CC=CC1=O AT13457 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.4 NOCC1=C(Cl)C=CC=C1 D87707 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.4 N\N=C\C1=C(O)C=CC=C1 F15584 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [1,1,0,0,0,0|0,0,0]=2 126 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.10 CCSC1=CC=CC(Br)=C1 AT20878 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.10 CNCC1=CC=CC(Cl)=C1 L10045 [1,1,0,0,0,0|0,0,0]=2 129 B10R1.10 NNCC1=CC=CC(Br)=C1 P10524 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.10 NNCC1=CC=CC(Cl)=C1 74963 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.10 NNCC1=CC=CC(F)=C1 75838 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [1,1,0,0,0,0|0,0,2]=4 133 B10R1.15 CCN(N)C1=CC=CC=C1 F14622 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [1,1,0,0,0,0|0,0,0]=2 135 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18177 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.15 CN[C@@H](C)C1=NC=CC=C1 F52397 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.15 C[C@@H](CBr)C1=CC=CC=C1 C80054 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.15 C\C(=N/N)C1=CC=CC=C1 I11141 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 N11950 [1,1,0,0,0,0|0,0,2]=4 142 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [1,1,0,0,0,0|0,0,0]=2 143 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 AT26580 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.21 CCCCCC1=CSC=C1 S12032 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.66 CN(C)CCN1C=CC=N1 Y10554 [0,1,0,0,1,0|2,0,0]=4 147 B12R1.1 CC1=CC=C(OCCCN)C=C1 AC6263 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.1 CNCCOC1=CC=C(N)C=C1 C78105 [0,2,0,0,0,0|0,0,0]=2 149 B12R1.1 COCCOC1=NC=C(Br)C=C1 N11626 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.1 ClCCCSC1=CC=C(Br)C=C1 71101 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.1 O=C=NCCC1=CC=C(F)C=C1 A12731 [0,2,0,0,0,0|0,0,2]=4 152 B12R1.1 OCCCCC1=CC=C(Br)C=C1 F13982 [0,2,0,0,0,0|1,0,0]=3 153 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 70046 [0,2,0,0,0,0|0,0,0]=2 154 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 C74644 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55911 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 D78576 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.21 CC(=O)COC1=CC=C(F)C=C1 D78577 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 F53163 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.21 CC1=CC=C(OC[C@H](C)O)C=C1 D91440 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 H12011 [0,2,0,0,0,0|0,0,0]=2 161 B12R1.385 NCCCC1=CC(Cl)=C(Cl)C=C1 VT1067 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 D87530 [0,2,0,0,0,0|0,0,1]=3 163 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 D91959 [0,2,0,0,0,0|0,0,0]=2 164 B12R1.17 NC1=CC=CC([C@@H](N)CCO)=C1 51809 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 Y11743 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.30 CCCCC(=O)C1=CN=CC=C1 N12060 [0,2,0,0,0,0|2,0,0]=4 167 B12R1.30 CCCC[C@H](N)C1=CC=CN=C1 N11978 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 D89432 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 D92069 [0,2,0,0,0,0|1,0,0]=3 170 B12R1.34 CNC(=O)C(=O)C1=CC=CC=C1 E72128 [0,2,0,0,0,0|0,0,2]=4 171 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 AC6013 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.107 CC(C)C[C@H](N)C1=CC=CN=C1 F30605 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L10160 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 D77816 [0,2,0,0,0,0|2,0,0]=4 175 B12R1.308 N[C@@H](CCO)C1=C(F)C=CC=C1 N12478 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.121 COC1=C(CCCN)C=CC=C1 FD10626 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 C78433 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.125 CC1=C(OC[C@H](C)O)C=CC=C1 D91438 [0,2,0,0,0,0|2,0,0]=4 179 B12R1.267 CC1=C(OCCC#N)C=CC=C1 AC5736 [0,2,0,0,0,0|2,0,0]=4 180 B12R1.267 CC1=C(OCCCBr)C=CC=C1 N10162 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.267 N#CCCNC1=C(Cl)C=CC=C1 D95759 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.267 NCCCOC1=C(Cl)C=CC=C1 AC6262 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.267 NCCCOC1=C(F)C=CC=C1 D77612 [0,2,0,0,0,0|2,0,0]=4 184 B12R1.371 CNC(=O)CC1=C(Br)C=CC=C1 72287 [0,2,0,0,0,0|0,0,1]=3 185 B12R1.374 COCOC1=C(Br)C=CC(F)=C1 C15002 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.28 COCCOC1=CC(N)=CC=C1 C14172 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.28 OCCCOC1=CC=CC(F)=C1 AC7865 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.28 S=C=NCCC1=CC=CC(Cl)=C1 A10413 [0,2,0,0,0,0|0,0,2]=4 189 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 23335 [0,2,0,0,0,0|1,0,1]=4 190 B12R1.226 CC(=O)NCC1=CC=CC(Br)=C1 C78150 [0,2,0,0,0,0|2,0,0]=4 191 B12R1.226 CC1=CC=CC(OC[C@H](C)O)=C1 D91439 [0,2,0,0,0,0|2,0,0]=4 192 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 I11536 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.382 COC1=CC(CCCN)=CC=C1 C78001 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.382 COCOC1=CC=CC(C=O)=C1 D91502 [0,2,0,0,0,0|2,0,0]=4 195 B12R1.8 CCCCOCC1=CC=CC=C1 D88615 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.8 CNCCOCC1=CC=CC=C1 C78388 [0,2,0,0,0,0|0,0,0]=2 197 B12R1.8 ClCCCOCC1=CC=CC=C1 20539 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.8 OCCCNCC1=NC=CC=C1 C78406 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.27 COC(=O)CCC1=CC=NC=C1 AC7192 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 D77610 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.27 NCC(=O)OCC1=CC=CC=C1 H11970 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 76907 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.32 CN(CCCl)CC1=CC=CC=C1 30794 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.32 CNCC(=O)NC1=CC=CC=C1 L10077 [0,2,0,0,0,0|0,0,1]=3 205 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB10382 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.32 CSCC(=O)NC1=CC=CC=C1 L10078 [0,2,0,0,0,0|1,0,1]=4 207 B12R1.252 CC(=O)CSCC1=CC=CC=C1 D85829 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.252 CN(C)\C=N\CC1=CC=CC=C1 F53348 [0,2,0,0,0,0|0,0,1]=3 209 B12R1.252 O=C(O)CSCC1=CC=CC=C1 52680 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 D88734 [0,2,0,0,0,0|1,0,1]=4 211 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O A10414 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 F10693 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O N12125 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.891 C[Si](C)(C)CSC1=CC=CC=C1 D92083 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.891 C[Si](C)(C)NCC1=CC=CC=C1 T70310 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.891 C[Si](C)(C)OCC1=CC=CC=C1 D89173 [0,2,0,0,0,0|2,0,0]=4 217 B10R2.7 C1=CC2=C(C=N1)CNC2 C15858 [1,0,0,1,0,0|1,0,0]=3 218 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 SC1104 [0,1,0,1,0,0|2,0,0]=4 219 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 Y10693 [0,1,0,1,0,0|2,0,0]=4 220 B12R2.24 NC1=CC2=C(C=C1)CCCC2 AB10169 [0,1,0,1,0,0|1,0,0]=3 221 B12R2.24 OC1=CC2=C(C=C1)CCNC2 O10335 [0,1,0,1,0,0|0,0,0]=2 222 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 N10909 [0,1,0,1,0,0|2,0,0]=4 223 B12R2.2 C1=CC=C(N2CC=CC2)C=C1 C14042 [0,1,0,1,0,0|1,0,1]=4 224 B12R2.2 C1=CN=C(N2CCCC2)C=C1 N10252 [0,1,0,1,0,0|2,0,0]=4 225 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 AR1064 [0,1,0,1,0,0|2,0,0]=4 226 B12R2.1081 FC1=C2CNCCC2=CC=C1 33396 [0,1,0,1,0,0|0,0,0]=2 227 B12R2.1081 NC1=CC=CC2=C1CCNC2 AB10120 [0,1,0,1,0,0|0,0,0]=2 228 B12R2.1081 OC1=C2CC=CCC2=CC=C1 C15471 [0,1,0,1,0,0|1,0,1]=4 229 B12R2.1081 [O-][N+]1=C2CCCCC2=CC=C1 65502 [0,1,0,1,0,0|2,0,0]=4 230 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 F14028 [0,1,0,1,0,0|1,0,0]=3 231 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 32628 [0,1,0,1,0,0|2,0,0]=4 232 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 AC5785 [0,1,0,1,0,0|2,0,0]=4 233 B12R2.196 CN1N=CC2=C(F)C=CC=C21 24305 [0,1,0,1,0,0|1,0,1]=4 234 B12R2.196 O=C1CCC2=C(I)C=CC=C12 I11158 [0,1,0,1,0,0|2,0,0]=4 235 B12R2.1286 BrC1=CC(SC2CC2)=CC=C1 F30463 [0,1,0,1,0,0|2,0,0]=4 236 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 W18555 [0,1,0,1,0,0|2,0,0]=4 237 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 T72863 [0,1,0,1,0,0|1,0,0]=3 238 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 AC4955 [0,1,0,1,0,0|2,0,0]=4 239 B12R2.18 CN1C(=O)OC2=C1C=CC=C2 D87899 [0,1,0,1,0,0|1,0,1]=4 240 B12R2.18 CN1C(Br)=NC2=C1C=CC=C2 78633 [0,1,0,1,0,0|1,0,1]=4 241 B12R2.18 NC1C2=C(C=CC=C2)CC1O 32663 [0,1,0,1,0,0|2,0,0]=4 242 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O D86558 [0,1,0,1,0,0|2,0,0]=4 243 B12R2.18 OC1CC2=C(C=CC=C2)C1O D90171 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.8 CCCC1=CC=CO1 D92136 [1,0,0,0,1,0|1,0,0]=3 245 B8R1.8 CCNC1=CC=CS1 23456 [1,0,0,0,1,0|2,0,0]=4 246 B8R1.8 CNCC1=NC=CS1 27052 [1,0,0,0,1,0|2,0,0]=4 247 B8R1.8 CNCC1=NOC=C1 33339 [1,0,0,0,1,0|2,0,0]=4 248 B8R1.8 NCCC1=CC=CS1 F14846 [1,0,0,0,1,0|1,0,0]=3 249 B8R1.8 OCCN1C=CC=C1 T72813 [1,0,0,0,1,0|2,0,0]=4