0 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.17 BrC\C=C\C1=CC=CC=C1 LT4566 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [0,0,0,0,0,0|1,1,1]=3 4 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [0,0,0,0,0,0|1,1,1]=3 5 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.17 CNCCC1=CC=NC=C1 YH66483 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.17 CNCCC1=NC=CC=C1 RT4594 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.17 CNCCC1=NC=CC=C1 RT4605 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.17 COCCC1=NC=CC=C1 LT3761 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.17 N#CCNC1=CC=CC=C1 XJ2362 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 N#CCOC1=CC=CC=C1 JZ2377 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.17 N#C\C=C\C1=CC=CC=C1 JZ2494 [0,0,0,0,0,0|2,0,2]=4 24 B10R1.17 NCC#CC1=CC=CC=C1 YH18704 [0,0,0,0,0,0|2,0,2]=4 25 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [0,0,0,0,0,0|0,1,0]=1 26 B10R1.17 O=CC#CC1=CC=CC=C1 LQ2262 [0,0,0,0,0,0|1,1,2]=4 27 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [0,0,0,0,0,0|0,1,2]=3 28 B10R1.17 O=C\C=C\C1=CC=CC=C1 LT4560 [0,0,0,0,0,0|1,1,2]=4 29 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [0,0,0,0,0,0|1,1,2]=4 30 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [0,0,0,0,0,0|2,1,1]=4 31 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [0,0,0,0,0,0|2,1,1]=4 32 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [0,0,0,0,0,0|2,1,1]=4 33 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [0,0,0,0,0,0|2,1,1]=4 34 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [0,0,0,0,0,0|2,1,1]=4 35 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.8 BrCCC1=CC=CC=C1 LL0334 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.8 BrCCC1=CC=NC=C1 CJ2885 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 BrCCC1=NC=CC=C1 LX2681 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 BrCCC1=NC=CC=C1 YH16042 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.8 C=CSC1=CC=CC=C1 HL0999 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 CCCC1=CC=NC=C1 LT3807 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 CNCC1=CC=CC=C1 RT3204 [1,0,0,0,0,0|0,0,2]=3 44 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.8 COCC1=CC=CN=C1 LQ5401 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 N#CCC1=CC=CN=C1 LT6846 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 N#CCC1=NC=CC=C1 LT2169 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 N#COC1=CC=CC=C1 RT6011 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.8 NCCC1=CC=NC=C1 YH11719 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [1,0,0,0,0,0|1,0,1]=3 58 B9R1.8 NNCC1=CC=CC=C1 LX3048 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.8 NOCC1=CC=CC=C1 LT5864 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 O=C=NC1=CC=CC=C1 LL0339 [1,0,0,0,0,0|0,1,0]=2 61 B9R1.8 O=C=NC1=NC=CC=C1 RT8706 [1,0,0,0,0,0|1,1,0]=3 62 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [1,0,0,0,0,0|0,1,1]=3 63 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [1,0,0,0,0,0|1,1,1]=4 64 B9R1.8 O=COC1=CC=CC=C1 HL2038 [1,0,0,0,0,0|1,1,1]=4 65 B9R1.8 O=N\C=C1\C=CC=CN1 RT8508 [1,0,0,0,0,0|1,1,1]=4 66 B9R1.8 OCCC1=CC=CC=C1 YH43593 [1,0,0,0,0,0|0,1,1]=3 67 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [1,0,0,0,0,0|1,1,1]=4 68 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [1,0,0,0,0,0|0,1,1]=3 69 B9R1.8 SCCC1=CC=NC=C1 RT10479 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.8 SCCC1=NC=CC=C1 RT10478 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [1,0,0,0,0,0|1,0,2]=4 72 B11R1.1 C(=O)CCC1=CC=C(Cl)C=C1 YH17360 [0,1,0,0,0,0|1,1,1]=4 73 B11R1.1 CCCCC1=CC=C(Br)C=C1 LT1922 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.1 CCCCC1=CC=C(Cl)C=C1 LQ3832 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.1 CCCCC1=CC=C(I)C=C1 LT2407 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.1 ClC1=CC=C(CCCBr)C=C1 CJ2951 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.1 OC1=CC=C(CCCBr)C=C1 CJ2919 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.1 OC1=CC=C(CCCCl)C=C1 CJ3017 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.1 OC1=CC=C(CN=C=S)C=C1 RT13139 [0,1,0,0,0,0|0,0,0]=1 80 B11R1.1 OCCCC1=CC=C(Br)C=C1 XJ4838 [0,1,0,0,0,0|1,1,1]=4 81 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.16 CNCC(C)C1=CC=CC=C1 RT3521 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.16 N#CCC(O)C1=CC=CC=C1 RT6095 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 LT6112 [0,1,0,0,0,0|1,1,1]=4 86 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 LL0937 [0,1,0,0,0,0|0,0,1]=2 87 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 LL1784 [0,1,0,0,0,0|1,1,1]=4 88 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 RT6757 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 LX3302 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.17 COCCC1=CC=CC=C1O RT11073 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.24 COCCC1=CC(O)=CC=C1 RT10599 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.28 BrCCCOC1=CC=CC=C1 HL0049 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.28 COCCSC1=CC=CC=C1 HL4605 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.28 ClCCCSC1=CC=CC=C1 XJ2786 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.28 O=C=NCCC1=CC=CC=C1 JZ1800 [0,1,0,0,0,0|0,1,0]=2 104 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [0,1,0,0,0,0|1,1,1]=4 105 B11R1.28 OCCCNC1=CC=CC=C1 LT5756 [0,1,0,0,0,0|1,1,1]=4 106 B11R1.28 OCCCOC1=CC=CC=C1 XJ3053 [0,1,0,0,0,0|1,1,1]=4 107 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [0,1,0,0,0,0|0,1,2]=4 108 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [0,1,0,0,0,0|1,1,1]=4 109 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [0,1,0,0,0,0|1,1,1]=4 110 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [0,1,0,0,0,0|1,1,1]=4 111 B11R1.28 S=C=NCCC1=CC=CC=C1 HL2155 [0,1,0,0,0,0|0,0,0]=1 112 B11R1.28 [N-]=[N+]=NCSC1=CC=CC=C1 HL4621 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.40 N#CC(O)CC1=CC=CC=C1 CJ2908 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.40 NCC(=O)CC1=CC=CC=C1 RT12543 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 RT1726 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.40 NC[C@H](N)CC1=CC=CC=C1 RT1725 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.40 O=C(CBr)CC1=CC=CC=C1 RT10869 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [0,1,0,0,0,0|1,1,1]=4 120 B11R1.91 CC(=O)CCC1=CC=CC=C1 LQ2231 [0,1,0,0,0,0|1,1,1]=4 121 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.91 ClP(Cl)OCC1=CC=CC=C1 RT12951 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.91 N=C(N)SCC1=CC=CC=C1 XJ0890 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.91 NC(=O)OCC1=CC=CC=C1 JZ3985 [0,1,0,0,0,0|1,1,1]=4 125 B11R1.91 NC(=S)NCC1=CC=CC=C1 JZ3984 [0,1,0,0,0,0|0,0,2]=3 126 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 RT11201 [0,1,0,0,0,0|1,1,1]=4 127 B11R2.1 BrC1=NNC2=CC=CC=C21 LX3057 [0,0,0,1,0,0|2,0,1]=4 128 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [0,0,0,1,0,0|2,0,1]=4 129 B11R2.1 CC1=NOC2=C1C=CC=C2 RT6278 [0,0,0,1,0,0|2,0,1]=4 130 B11R2.1 CN1CCC2=C1C=CC=C2 LQ1487 [0,0,0,1,0,0|3,0,0]=4 131 B11R2.1 CN1N=CC2=C1C=CC=C2 XJ3909 [0,0,0,1,0,0|2,0,1]=4 132 B11R2.1 ClC1=NSC2=C1C=CC=C2 LQ3345 [0,0,0,1,0,0|2,0,1]=4 133 B11R2.1 IC1=NNC2=CC=CC=C21 YH12813 [0,0,0,1,0,0|2,0,1]=4 134 B11R2.1 NC1=NSC2=C1C=CC=C2 LQ4347 [0,0,0,1,0,0|2,0,1]=4 135 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [0,0,0,1,0,0|2,0,1]=4 136 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [0,0,0,1,0,0|2,0,1]=4 137 B11R2.1 NN1N=NC2=CC=CC=C21 XJ1857 [0,0,0,1,0,0|3,0,0]=4 138 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [0,0,0,1,0,0|2,0,1]=4 139 B11R2.1 O=C1CCC2=CC=CC=C12 RT11144 [0,0,0,1,0,0|1,1,1]=4 140 B11R2.1 O=C1NCC2=CC=CC=C12 YH03035 [0,0,0,1,0,0|0,1,2]=4 141 B11R2.1 ON1N=NC2=CC=CC=C21 LT7863 [0,0,0,1,0,0|2,1,0]=4 142 B11R2.1 ON1N=NC2=CC=CC=C21 RT15166 [0,0,0,1,0,0|2,1,0]=4 143 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 RT2823 [0,0,0,1,0,0|2,0,1]=4 144 B11R2.20 C1=CC=C2N=CN=CC2=C1 LQ0671 [0,0,0,1,0,0|1,0,2]=4 145 B11R2.239 C1=CC=C(C2CNC2)C=C1 RT7923 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [2,0,0,0,0,0|1,0,0]=3 147 B8R1.2 BrCC1=CC=CN=C1 YH03265 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.2 BrCC1=CC=CN=C1 YH65568 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.2 BrCC1=NC=CC=C1 LQ4674 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [2,0,0,0,0,0|0,0,2]=4 152 B8R1.2 CCC1=CC=CN=C1 JZ1084 [2,0,0,0,0,0|1,0,1]=4 153 B8R1.2 CCC1=CC=NC=C1 LL0974 [2,0,0,0,0,0|1,0,1]=4 154 B8R1.2 ClCC1=CC=CC=C1 HL1268 [2,0,0,0,0,0|1,0,0]=3 155 B8R1.2 ClCC1=CC=CC=N1 JZ2503 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 ClCC1=CC=CN=C1 JZ0781 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.2 ClCC1=CC=CN=C1 YH53620 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.2 ClCC1=NC=CC=C1 JZ0742 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.2 ClCC1=NC=CC=C1 LT2316 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [2,0,0,0,0,0|0,0,2]=4 161 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [2,0,0,0,0,0|0,0,2]=4 162 B8R1.2 NCC1=CC=CC=C1 LQ1371 [2,0,0,0,0,0|0,0,1]=3 163 B8R1.2 NCC1=CC=CN=C1 RT2311 [2,0,0,0,0,0|1,0,1]=4 164 B8R1.2 NCC1=CC=NC=C1 LL1070 [2,0,0,0,0,0|1,0,1]=4 165 B8R1.2 NCC1=CC=NC=C1 RT10176 [2,0,0,0,0,0|1,0,1]=4 166 B8R1.2 NCC1=NC=CC=C1 HL2591 [2,0,0,0,0,0|1,0,1]=4 167 B8R1.2 NNC1=CC=CC=C1 HL1279 [2,0,0,0,0,0|1,0,1]=4 168 B8R1.2 NNC1=CC=CC=C1 JZ5772 [2,0,0,0,0,0|1,0,1]=4 169 B8R1.2 O=NC1=CC=CC=C1 YH08587 [2,0,0,0,0,0|0,1,0]=3 170 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [2,0,0,0,0,0|0,2,0]=4 171 B8R1.2 OCC1=CC=CC=C1 HL1271 [2,0,0,0,0,0|0,1,0]=3 172 B8R1.2 OCC1=CC=CC=N1 LT2170 [2,0,0,0,0,0|1,1,0]=4 173 B8R1.2 OCC1=CN=CC=C1 HL1274 [2,0,0,0,0,0|1,1,0]=4 174 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [2,0,0,0,0,0|1,1,0]=4 175 B8R1.2 SCC1=CC=CC=C1 HL1273 [2,0,0,0,0,0|0,0,1]=3 176 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [2,0,0,0,0,0|0,0,2]=4 177 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [2,0,0,0,0,0|0,0,2]=4 178 B10R1.1 CC1=CC=C(CC#N)C=C1 JZ2192 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.1 CC1=CC=C(N=C=O)C=C1 LT3140 [1,1,0,0,0,0|0,1,0]=3 181 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.1 ClC1=CC=C(CCBr)C=C1 XJ3158 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.1 FC1=CC=C(CCBr)C=C1 RT12501 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.1 FC1=CC=C(N=C=S)C=C1 JZ4612 [1,1,0,0,0,0|0,0,0]=2 186 B10R1.1 N#CCC1=CC=C(Br)C=C1 LT6208 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.1 N#CCC1=CC=C(Cl)C=C1 JZ0810 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.1 N#CCC1=CC=C(F)C=C1 HL1841 [1,1,0,0,0,0|1,0,1]=4 189 B10R1.1 N#CCC1=CC=C(I)C=C1 LQ5219 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.1 N#CCC1=CC=C(N)C=C1 LT1657 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.1 NCCC1=CC=C(Br)C=C1 LL1320 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.1 NCCC1=CC=C(Cl)C=C1 LQ0644 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.1 NCCC1=CC=C(F)C=C1 LT3075 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.1 NCCC1=CC=C(N)C=C1 LT0213 [1,1,0,0,0,0|1,0,1]=4 195 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [1,1,0,0,0,0|1,0,1]=4 197 B10R1.1 O=C=NC1=CC=C(F)C=C1 JZ4482 [1,1,0,0,0,0|0,1,0]=3 198 B10R1.1 O=CCC1=CC=C(F)C=C1 YH40007 [1,1,0,0,0,0|0,1,1]=4 199 B10R1.1 O=CCC1=CC=C(O)C=C1 RT6375 [1,1,0,0,0,0|0,1,1]=4 200 B10R1.1 OCCC1=CC=C(Br)C=C1 LQ2719 [1,1,0,0,0,0|0,1,1]=4 201 B10R1.1 OCCC1=CC=C(F)C=C1 LT2419 [1,1,0,0,0,0|0,1,1]=4 202 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [1,1,0,0,0,0|0,1,1]=4 203 B10R1.1 O\N=C\C1=CC=C(F)C=C1 YH02278 [1,1,0,0,0,0|0,1,1]=4 204 B10R1.1 [N-]=[N+]=NC1=CC=C(N)C=C1 CJ3233 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.1 [N-]=[N+]=NC1=CC=C(N)C=C1 CJ3234 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.4 CC1=CC=CC=C1CC#N LT5660 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.4 CC1=CC=CC=C1N=C=O HL0189 [1,1,0,0,0,0|0,1,0]=3 208 B10R1.4 CC1=CC=CC=C1N=C=S HL0190 [1,1,0,0,0,0|0,0,0]=2 209 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.4 N#CCC1=C(Br)C=CC=C1 XJ4518 [1,1,0,0,0,0|1,0,1]=4 211 B10R1.4 N#CCC1=C(F)C=CC=C1 HL1631 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.4 N#CCC1=C(I)C=CC=C1 LQ5028 [1,1,0,0,0,0|1,0,1]=4 213 B10R1.4 N#CCC1=CC=CC=C1Br LT2296 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.4 N#CCC1=CC=CC=C1N RT1593 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.4 NC1=CC=CC=C1CCO YH05747 [1,1,0,0,0,0|0,1,1]=4 216 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [1,1,0,0,0,0|1,0,1]=4 217 B10R1.4 NCCC1=CC=CC=C1O RT6527 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.4 N\N=C\C1=CC=CC=C1O XJ2447 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.4 O=C=NC1=C(Cl)C=CC=C1 XJ2468 [1,1,0,0,0,0|0,1,0]=3 220 B10R1.4 O=C=NC1=C(F)C=CC=C1 LQ3980 [1,1,0,0,0,0|0,1,0]=3 221 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [1,1,0,0,0,0|0,1,1]=4 222 B10R1.4 O=CCC1=CC=CC=C1F XJ6347 [1,1,0,0,0,0|0,1,1]=4 223 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [1,1,0,0,0,0|0,1,1]=4 224 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [1,1,0,0,0,0|0,1,1]=4 225 B10R1.4 O\N=C/C1=C(O)C=CC=C1 JZ1751 [1,1,0,0,0,0|0,1,1]=4 226 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 JZ1723 [1,1,0,0,0,0|0,1,1]=4 227 B10R1.4 O\N=C\C1=CC=CC=C1Cl HL2579 [1,1,0,0,0,0|0,1,1]=4 228 B10R1.4 S=C=NC1=CC=CC=C1Cl XJ2293 [1,1,0,0,0,0|0,0,0]=2 229 B10R1.10 CC1=CC=CC(CC#N)=C1 LT2624 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.10 CNCC1=CC(Br)=CC=C1 HL4336 [1,1,0,0,0,0|0,0,2]=4 232 B10R1.10 FC1=CC=CC(N=C=S)=C1 LQ0800 [1,1,0,0,0,0|0,0,0]=2 233 B10R1.10 N#CCC1=CC(I)=CC=C1 HL3403 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.10 N#CCC1=CC=CC(Br)=C1 LT6740 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.10 N#CCC1=CC=CC(Cl)=C1 LT2337 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.10 N#CCC1=CC=CC(F)=C1 LQ3386 [1,1,0,0,0,0|1,0,1]=4 237 B10R1.10 NC1=CC(CCO)=CC=C1 XJ5592 [1,1,0,0,0,0|0,1,1]=4 238 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.10 NCCC1=CC=CC(Br)=C1 YH08740 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.10 O=C=NC1=CC(Br)=CC=C1 LQ4373 [1,1,0,0,0,0|0,1,0]=3 242 B10R1.10 O=C=NC1=CC(F)=CC=C1 LQ0799 [1,1,0,0,0,0|0,1,0]=3 243 B10R1.10 O=C=NC1=CC(I)=CC=C1 LQ4374 [1,1,0,0,0,0|0,1,0]=3 244 B10R1.10 O=C=NC1=CC=CC(Cl)=C1 LT2914 [1,1,0,0,0,0|0,1,0]=3 245 B10R1.10 O=CCC1=CC(F)=CC=C1 YH17193 [1,1,0,0,0,0|0,1,1]=4 246 B10R1.10 OCCC1=CC(Br)=CC=C1 YH51734 [1,1,0,0,0,0|0,1,1]=4 247 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [1,1,0,0,0,0|0,1,1]=4 248 B10R1.10 S=C=NC1=CC=CC(I)=C1 LQ2398 [1,1,0,0,0,0|0,0,0]=2 249 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.15 C#CC(O)C1=CC=CC=C1 HL2705 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.15 C1=CC=C(N([O-])N=O)C=C1 LT7153 [1,1,0,0,0,0|1,1,0]=4 252 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [1,1,0,0,0,0|0,1,1]=4 253 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.15 N#CC(O)C1=CC=CC=C1 LL0935 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HL0174 [1,1,0,0,0,0|0,1,1]=4 258 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [1,1,0,0,0,0|0,1,1]=4 260 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [1,1,0,0,0,0|0,1,1]=4 261 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [1,1,0,0,0,0|0,1,1]=4 262 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [1,1,0,0,0,0|0,1,1]=4 263 B10R1.18 CC(=S)NC1=CC=CC=C1 JZ4043 [1,1,0,0,0,0|0,0,2]=4 264 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [1,1,0,0,0,0|0,0,2]=4 265 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [1,1,0,0,0,0|0,1,1]=4 268 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [1,1,0,0,0,0|0,1,1]=4 269 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [1,1,0,0,0,0|0,0,1]=3 270 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [1,1,0,0,0,0|0,1,1]=4 271 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [1,1,0,0,0,0|0,1,1]=4 272 B10R1.18 S=C(Cl)CC1=CC=NC=C1 LT3199 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.18 S=C(Cl)OC1=CC=CC=C1 HL0590 [1,1,0,0,0,0|1,0,1]=4 274 B12R1.8 S=C=NCCCC1=CC=CC=C1 JZ2090 [0,2,0,0,0,0|0,0,0]=2 275 B12R1.252 NC(=S)NCCC1=CC=CC=C1 LQ3182 [0,2,0,0,0,0|0,0,2]=4 276 B12R1.891 CS(=O)(=S)OCC1=CC=CC=C1 RT12102 [0,2,0,0,0,0|2,0,0]=4 277 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [1,0,0,1,0,0|0,0,2]=4 278 B10R2.6 C1=CC=C(C2CO2)C=C1 XJ4585 [1,0,0,1,0,0|0,1,1]=4 279 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 XJ4586 [1,0,0,1,0,0|0,1,1]=4 280 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [1,0,0,1,0,0|0,0,2]=4 281 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [1,0,0,1,0,0|0,0,2]=4 282 B10R2.7 C1=CC2=C(C=C1)NN=N2 LQ0258 [1,0,0,1,0,0|2,0,0]=4 283 B10R2.7 C1=CC2=N[N-]N=C2C=C1 LL2265 [1,0,0,1,0,0|2,0,0]=4 284 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [1,0,0,1,0,0|1,0,1]=4 285 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [1,0,0,1,0,0|1,0,1]=4 286 B10R2.7 C1=CC=C2NN=CC2=C1 LT1127 [1,0,0,1,0,0|1,0,1]=4 287 B10R2.7 C1=CC=C2OC=NC2=C1 LL0609 [1,0,0,1,0,0|0,1,1]=4 288 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [1,0,0,1,0,0|0,1,1]=4 289 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,1,0,0|0,1,1]=4 290 B12R2.1081 S=C1NN=CC2=C1C=CC=C2 RT13128 [0,1,0,1,0,0|0,0,2]=4 291 B8R1.8 O=C=NC1=CC=CS1 HL2074 [1,0,0,0,1,0|1,1,0]=4 292 B8R1.8 O=C=NC1=CSC=C1 LT3132 [1,0,0,0,1,0|1,1,0]=4