0 B10R1.17 BrCCCC1=CC=CN=C1 RT14570 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.17 BrCCOC1=CC=CC=C1 HL0054 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 BrC\C=C\C1=CC=CC=C1 LT4566 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.17 C(=O)CCC1=CC=CC=C1 LL0373 [0,0,0,0,0,0|0,0,4]=4 4 B10R1.17 C(=O)OCC1=CC=CC=C1 LL0376 [0,0,0,0,0,0|1,0,3]=4 5 B10R1.17 C=CCCC1=CC=CC=C1 YH17996 [0,0,0,0,0,0|1,0,3]=4 6 B10R1.17 CCC#CC1=CC=CC=C1 JZ4010 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.17 CCCCC1=CC=CN=C1 XJ0908 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 CCCCC1=NC=CC=C1 HL2877 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 CCCC[N+]1=CC=CC=C1 HL0679 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.17 CCCNC1=CC=CC=C1 XJ1126 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.17 CCCOC1=CC=CC=C1 XJ1127 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.17 CCNCC1=CC=CN=C1 XJ2344 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.17 CCNCC1=CC=NC=C1 YH55114 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 ClCCCC1=CC=CC=C1 LL0372 [0,0,0,0,0,0|1,0,2]=3 15 B10R1.17 ClCOCC1=CC=CC=C1 JZ2365 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.17 ClCSCC1=CC=CC=C1 JZ2415 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.17 N#CCNC1=CC=CC=C1 XJ2362 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.17 N#CCOC1=CC=CC=C1 JZ2377 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.17 N#C\C=C\C1=CC=CC=C1 JZ2494 [0,0,0,0,0,0|1,0,1]=2 20 B10R1.17 NCC#CC1=CC=CC=C1 YH18704 [0,0,0,0,0,0|1,0,2]=3 21 B10R1.17 NCCNC1=NC=CC=C1 RT11017 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 O=C=NCC1=CC=CC=C1 LT4166 [0,0,0,0,0,0|1,0,3]=4 23 B10R1.17 O=CC#CC1=CC=CC=C1 LQ2262 [0,0,0,0,0,0|0,0,4]=4 24 B10R1.17 O=CNCC1=CC=CC=C1 JZ2897 [0,0,0,0,0,0|1,0,3]=4 25 B10R1.17 O=C\C=C\C1=CC=CC=C1 LT4560 [0,0,0,0,0,0|0,0,2]=2 26 B10R1.17 O=C\C=C\C1=CC=CN=C1 RT18185 [0,0,0,0,0,0|1,0,2]=3 27 B10R1.17 O=C\C=C\C1=CC=CN=C1 XJ5146 [0,0,0,0,0,0|1,0,2]=3 28 B10R1.17 OCC#CC1=CC=CC=C1 LQ1789 [0,0,0,0,0,0|0,0,2]=2 29 B10R1.17 OCCCC1=CC=NC=C1 LT3397 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.17 OCCCC1=CN=CC=C1 LQ2303 [0,0,0,0,0,0|1,0,2]=3 31 B10R1.17 OCCCC1=NC=CC=C1 LT1600 [0,0,0,0,0,0|1,0,2]=3 32 B10R1.17 OCCNC1=CC=CC=C1 XJ0488 [0,0,0,0,0,0|1,0,1]=2 33 B10R1.17 OCCOC1=CC=CC=C1 XJ0489 [0,0,0,0,0,0|1,0,1]=2 34 B10R1.17 OC\C=C\C1=CC=CN=C1 RT7938 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 JZ4012 [0,0,0,0,0,0|3,0,1]=4 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|1,0,1]=3 41 B9R1.8 CCCC1=CC=NC=C1 LT3807 [1,0,0,0,0,0|1,0,2]=4 42 B9R1.8 CCOC1=NC=CC=C1 LT1993 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 CCSC1=CC=CC=C1 JZ4001 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 CNCC1=CC=CC=C1 RT3204 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.8 CNCC1=CC=CN=C1 LQ4200 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 COCC1=CC=CN=C1 LQ5401 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 CSSC1=CC=CC=C1 JZ4887 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.8 C\C=C\C1=CC=CC=C1 RT6350 [1,0,0,0,0,0|0,0,0]=1 49 B9R1.8 C\C=C\C1=CC=CC=C1 RT6415 [1,0,0,0,0,0|0,0,0]=1 50 B9R1.8 ClCCC1=CC=CC=C1 JZ3996 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 ClCCC1=CC=CC=C1 JZ4528 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.8 ClCCC1=CC=NC=C1 CJ2857 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 N#COC1=CC=CC=C1 RT6011 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 NCCC1=CC=CN=C1 LQ4201 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.8 NCCC1=CC=NC=C1 YH11719 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.8 NNCC1=CC=CC=C1 LQ1000 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 NNCC1=CC=CC=C1 LX3048 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 NOCC1=CC=CC=C1 LT5864 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 O=C=NC1=CC=CC=C1 LL0339 [1,0,0,0,0,0|1,0,2]=4 60 B9R1.8 O=CCC1=CC=CC=C1 XJ0479 [1,0,0,0,0,0|0,0,2]=3 61 B9R1.8 O=CCC1=CC=CN=C1 RT9275 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.8 O=COC1=CC=CC=C1 HL2038 [1,0,0,0,0,0|1,0,1]=3 63 B9R1.8 O=N\C=C1\C=CC=CN1 RT8508 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 OCCC1=CC=CC=C1 YH43593 [1,0,0,0,0,0|0,0,1]=2 65 B9R1.8 OCCC1=CC=NC=C1 XJ2857 [1,0,0,0,0,0|1,0,1]=3 66 B9R1.8 O\N=C\C1=CC=CC=C1 RT6343 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.8 SCCC1=CC=NC=C1 RT10479 [1,0,0,0,0,0|1,1,1]=4 68 B9R1.8 SCCC1=NC=CC=C1 RT10478 [1,0,0,0,0,0|1,1,1]=4 69 B9R1.8 [2H]\C=C\C1=CC=CC=C1 RT11345 [1,0,0,0,0,0|1,0,0]=2 70 B11R1.1 CCCCC1=CC=C(Br)C=C1 LT1922 [0,1,0,0,0,0|1,0,2]=4 71 B11R1.1 CCCCC1=CC=C(Cl)C=C1 LQ3832 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.1 CCCCC1=CC=C(I)C=C1 LT2407 [0,1,0,0,0,0|1,0,2]=4 73 B11R1.1 ClC1=CC=C(CCCBr)C=C1 CJ2951 [0,1,0,0,0,0|1,0,2]=4 74 B11R1.1 O=C\C=C/C1=CC=C(F)C=C1 LQ4418 [0,1,0,0,0,0|0,0,2]=3 75 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 CJ3237 [0,1,0,0,0,0|0,0,2]=3 76 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 RT17701 [0,1,0,0,0,0|0,0,2]=3 77 B11R1.1 OC1=CC=C(CCCBr)C=C1 CJ2919 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.1 OC1=CC=C(CCCCl)C=C1 CJ3017 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.1 OCCCC1=CC=C(Br)C=C1 XJ4838 [0,1,0,0,0,0|0,0,2]=3 80 B11R1.1 OC\C=C\C1=CC=C(Br)C=C1 CJ3236 [0,1,0,0,0,0|0,0,0]=1 81 B11R1.16 CCCC(C)C1=CC=CC=C1 XJ2276 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 HL2642 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.16 CCOC(=N)C1=CC=CC=C1 XJ2841 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.16 CCOC(=O)C1=CC=CC=C1 HL1235 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.16 CCOC(=O)C1=CC=CC=C1 XJ5129 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.16 CCOC(=O)C1=CC=NC=C1 JZ0760 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.16 CCOC(=O)C1=CN=CC=C1 JZ0757 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.16 CN(CCO)C1=NC=CC=C1 YH28946 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.16 COCC(=O)C1=CC=CC=C1 XJ2596 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.16 N#CCC(=O)C1=CC=CC=C1 LT6989 [0,1,0,0,0,0|1,0,2]=4 91 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 LT6112 [0,1,0,0,0,0|0,0,2]=3 92 B11R1.16 O=C(CCBr)C1=CC=CC=C1 YH65517 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.16 O=C(CCCl)C1=CC=CC=C1 YH58599 [0,1,0,0,0,0|1,0,1]=3 94 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 LL0937 [0,1,0,0,0,0|1,1,1]=4 95 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 LL1784 [0,1,0,0,0,0|0,0,2]=3 96 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 RT6757 [0,1,0,0,0,0|1,0,2]=4 97 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 LX3302 [0,1,0,0,0,0|1,0,2]=4 98 B11R1.17 FCCSC1=CC=CC=C1Br LT1460 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.17 NCCOC1=CC=CC=C1O RT2926 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.17 O=C\C=C\C1=CC=CC=C1Br HL3477 [0,1,0,0,0,0|0,0,2]=3 101 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl HL3476 [0,1,0,0,0,0|0,0,2]=3 102 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl XJ1942 [0,1,0,0,0,0|0,0,2]=3 103 B11R1.17 O=C\C=C\C1=CC=CC=C1F LL2290 [0,1,0,0,0,0|0,0,2]=3 104 B11R1.17 OCCOC1=CC=CN=C1Br YH53850 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.24 FCCOC1=CC(Br)=CC=C1 LT1466 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.24 OCCOC1=CC(O)=CC=C1 RT7314 [0,1,0,0,0,0|1,0,1]=3 107 B11R1.28 BrCCCCC1=CC=CC=C1 LT3814 [0,1,0,0,0,0|1,0,2]=4 108 B11R1.28 BrCCCOC1=CC=CC=C1 HL0049 [0,1,0,0,0,0|1,0,2]=4 109 B11R1.28 C#CCOCC1=CC=CC=C1 RT1136 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.28 C(=N/C1=CC=CC=C1)OCC LQ3167 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.28 CCCC#CC1=CC=CC=C1 LQ2616 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.28 CCCCOC1=CC=CC=C1 HL0694 [0,1,0,0,0,0|1,0,2]=4 113 B11R1.28 CNC\C=C\C1=CC=CC=C1 RT2865 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.28 COCCSC1=CC=CC=C1 HL4605 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.28 ClCCCCC1=CC=CC=C1 JZ2628 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.28 ClCCCSC1=CC=CC=C1 XJ2786 [0,1,0,0,0,0|1,0,2]=4 117 B11R1.28 ClCCOCC1=CC=CC=C1 RT12009 [0,1,0,0,0,0|1,0,2]=4 118 B11R1.28 NCCCCC1=CC=CC=C1 JZ3683 [0,1,0,0,0,0|1,0,2]=4 119 B11R1.28 NCCNCC1=CC=CC=C1 LQ1479 [0,1,0,0,0,0|1,0,2]=4 120 B11R1.28 NCCOCC1=CC=CC=C1 YH23168 [0,1,0,0,0,0|1,0,2]=4 121 B11R1.28 O=CCOCC1=CC=CC=C1 RT6333 [0,1,0,0,0,0|1,0,2]=4 122 B11R1.28 OCCCCC1=CC=NC=C1 YH65835 [0,1,0,0,0,0|1,0,2]=4 123 B11R1.28 OCCCNC1=CC=CC=C1 LT5756 [0,1,0,0,0,0|0,0,2]=3 124 B11R1.28 OCCCOC1=CC=CC=C1 XJ3053 [0,1,0,0,0,0|0,0,2]=3 125 B11R1.28 OCCNCC1=CC=CC=C1 YH22684 [0,1,0,0,0,0|0,0,2]=3 126 B11R1.28 OCCOCC1=CC=CC=C1 JZ3992 [0,1,0,0,0,0|0,0,2]=3 127 B11R1.28 OCCSCC1=CC=CC=C1 LQ2564 [0,1,0,0,0,0|0,0,2]=3 128 B11R1.28 OCCSCC1=CC=CC=C1 LQ4535 [0,1,0,0,0,0|0,0,2]=3 129 B11R1.40 C\C(=C/C1=CC=CC=C1)CO YH66093 [0,1,0,0,0,0|0,0,0]=1 130 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 LQ0316 [0,1,0,0,0,0|0,0,2]=3 131 B11R1.40 NCC(=O)CC1=CC=CC=C1 RT12543 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.40 NC[C@@H](N)CC1=CC=CC=C1 RT1726 [0,1,0,0,0,0|1,0,2]=4 133 B11R1.40 NC[C@H](N)CC1=CC=CC=C1 RT1725 [0,1,0,0,0,0|1,0,2]=4 134 B11R1.40 NNC(=O)CC1=CC=CC=C1 JZ4307 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.40 NNC(=O)OC1=CC=CC=C1 LT4161 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.40 O=C(CBr)CC1=CC=CC=C1 RT10869 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.40 O=C(CBr)OC1=CC=CC=C1 JZ3957 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.40 O=C(CCl)NC1=CC=CC=C1 YH08620 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.40 O=C(CCl)NC1=NC=CC=C1 RT2329 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.40 O=C(CO)CC1=CC=CC=C1 RT6783 [0,1,0,0,0,0|0,0,1]=2 141 B11R1.40 O=C\C(Cl)=C\C1=CC=CC=C1 XJ4438 [0,1,0,0,0,0|0,0,2]=3 142 B11R1.91 CC(N)CCC1=CC=CC=C1 XJ4684 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.91 CC(O)COC1=CC=CC=C1 HL0414 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.91 CC(O)COC1=CC=CC=C1 HL3407 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 LT4562 [0,1,0,0,0,0|0,0,2]=3 146 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 LL0303 [0,1,0,0,0,0|0,0,2]=3 147 B11R1.91 O=C(Cl)\C=C\C1=CC=CN=C1 YH25200 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.91 O=C(O)C#CC1=CC=CC=C1 JZ4042 [0,1,0,0,0,0|0,0,3]=4 149 B11R1.91 O=C(O)CSC1=CC=CC=C1 LL0306 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 LT4563 [0,1,0,0,0,0|0,0,1]=2 151 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 RT12003 [0,1,0,0,0,0|0,0,1]=2 152 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HL0692 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 JZ5354 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 XJ2849 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.91 O=C(O)\C=C\C1=NC=CC=C1 LQ3273 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 HL0048 [0,1,0,0,0,0|0,0,2]=3 157 B11R1.91 O=C([O-])\C=C\C1=CC=CC=C1 XJ4235 [0,1,0,0,0,0|0,0,2]=3 158 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 LQ2816 [0,1,0,0,0,0|1,0,1]=3 159 B11R2.1 BrC1=CNC2=C1C=CC=C2 HL0892 [0,0,0,1,0,0|2,0,1]=4 160 B11R2.1 CC1=CCC2=C1C=CC=C2 YH66128 [0,0,0,1,0,0|1,0,2]=4 161 B11R2.1 CC1=COC2=CC=CC=C12 LQ4241 [0,0,0,1,0,0|2,0,1]=4 162 B11R2.1 CC1=CSC2=CC=CC=C12 HL0822 [0,0,0,1,0,0|2,0,1]=4 163 B11R2.1 CC1C=CC2=CC=CC=C21 YH65581 [0,0,0,1,0,0|1,0,0]=2 164 B11R2.1 CC1CNC2=CC=CC=C21 YH01636 [0,0,0,1,0,0|2,0,1]=4 165 B11R2.1 CN1C=CC2=CC=CC=C21 JZ0953 [0,0,0,1,0,0|2,0,0]=3 166 B11R2.1 CN1N=CC2=C1C=CC=C2 XJ3909 [0,0,0,1,0,0|3,0,0]=4 167 B11R2.1 ClC1=CNC2=CC=CC=C12 JZ5124 [0,0,0,1,0,0|2,0,1]=4 168 B11R2.1 NC1CCC2=C1C=CC=C2 JZ0372 [0,0,0,1,0,0|1,0,2]=4 169 B11R2.1 NC1CCC2=C1C=CC=C2 LL1225 [0,0,0,1,0,0|1,0,2]=4 170 B11R2.1 NN1C=CC2=CC=CC=C21 LQ5244 [0,0,0,1,0,0|2,0,0]=3 171 B11R2.1 N[C@H]1CCC2=CC=CC=C21 RT1824 [0,0,0,1,0,0|1,0,2]=4 172 B11R2.1 O=C1C=CC2=C1C=CC=C2 YH65542 [0,0,0,1,0,0|0,0,2]=3 173 B11R2.1 OC1=CNC2=C1C=CC=C2 RT14410 [0,0,0,1,0,0|1,0,1]=3 174 B11R2.1 ON1N=NC2=CC=CC=C21 LT7863 [0,0,0,1,0,0|3,0,0]=4 175 B11R2.1 ON1N=NC2=CC=CC=C21 RT15166 [0,0,0,1,0,0|3,0,0]=4 176 B11R2.1 SC1=CNC2=CC=CC=C12 RT16021 [0,0,0,1,0,0|1,1,1]=4 177 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 RT2823 [0,0,0,1,0,0|1,0,2]=4 178 B11R2.20 C1=CC2=C(C=C1)NCCN2 YH55994 [0,0,0,1,0,0|2,0,1]=4 179 B11R2.20 C1=CC=C2C=CC=CC2=C1 HL4449 [0,0,0,1,0,0|1,0,1]=3 180 B11R2.20 C1=CC=C2N=CC=CC2=C1 LT2174 [0,0,0,1,0,0|1,0,1]=3 181 B11R2.20 C1=CC=C2N=CC=CC2=C1 RT9222 [0,0,0,1,0,0|1,0,1]=3 182 B11R2.20 C1=CC=C2N=CC=CC2=C1 XJ5007 [0,0,0,1,0,0|1,0,1]=3 183 B11R2.20 C1=CC=C2N=CN=CC2=C1 LQ0671 [0,0,0,1,0,0|2,0,1]=4 184 B11R2.20 C1=CC=C2OCCOC2=C1 LL0887 [0,0,0,1,0,0|1,0,1]=3 185 B11R2.20 C1=CN=C2NCCOC2=C1 YH44737 [0,0,0,1,0,0|2,0,1]=4 186 B11R2.238 C1=CC=C(SC2CC2)C=C1 LQ3793 [0,0,0,1,0,0|2,0,1]=4 187 B9R1.12 O=C\C=C\C1=CC=CO1 JZ1034 [0,0,0,0,1,0|1,0,2]=4 188 B8R0.4 C\C=C\C=C/C=C/C=O RT17881 [1,0,1,0,0,0|1,0,0]=3 189 B8R1.2 BrCC1=CC=CC=C1 JZ1264 [2,0,0,0,0,0|1,0,0]=3 190 B8R1.2 BrCC1=CC=CN=C1 YH03265 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.2 BrCC1=CC=CN=C1 YH65568 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.2 BrCC1=NC=CC=C1 LQ4674 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.2 Br[Mg]C1=CC=CC=C1 HL1276 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.2 C=CC1=CC=CC=C1 XJ3473 [2,0,0,0,0,0|0,0,0]=2 195 B8R1.2 C=CC1=CC=CN=C1 RT7678 [2,0,0,0,0,0|1,0,0]=3 196 B8R1.2 C=CC1=NC=CN=C1 JZ1744 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.2 CCC1=CC=CN=C1 JZ1084 [2,0,0,0,0,0|1,0,1]=4 198 B8R1.2 CCC1=CC=NC=C1 LL0974 [2,0,0,0,0,0|1,0,1]=4 199 B8R1.2 CNC1=CC=CN=C1 LT2493 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.2 CNC1=CC=NC=C1 LT6892 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 COC1=CC=CN=C1 LT6817 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.2 COC1=NC=CC=C1 LT2109 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 CSC1=NC=CC=C1 LT2167 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.2 ClCC1=CC=CC=C1 HL1268 [2,0,0,0,0,0|1,0,0]=3 205 B8R1.2 ClCC1=CC=CC=N1 JZ2503 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 ClCC1=CC=CN=C1 JZ0781 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.2 ClCC1=CC=CN=C1 YH53620 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 ClCC1=NC=CC=C1 JZ0742 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.2 ClCC1=NC=CC=C1 LT2316 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 N#CC1=CC=CC=C1 JZ4954 [2,0,0,0,0,0|1,0,1]=4 211 B8R1.2 N#CC1=CC=CC=C1 XJ4015 [2,0,0,0,0,0|1,0,1]=4 212 B8R1.2 NCC1=CC=CC=C1 LQ1371 [2,0,0,0,0,0|1,0,0]=3 213 B8R1.2 NCC1=CC=CN=C1 RT2311 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.2 NCC1=CC=NC=C1 LL1070 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.2 NCC1=CC=NC=C1 RT10176 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.2 NCC1=NC=CC=C1 HL2591 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 NNC1=CC=CC=C1 HL1279 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.2 NNC1=CC=CC=C1 JZ5772 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.2 O=CC1=CC=CC=N1 JZ0732 [2,0,0,0,0,0|1,0,1]=4 220 B8R1.2 O=CC1=CC=CN=C1 RT10183 [2,0,0,0,0,0|1,0,1]=4 221 B8R1.2 O=NC1=CC=CC=C1 YH08587 [2,0,0,0,0,0|1,0,1]=4 222 B8R1.2 O=[As]C1=CC=CC=C1 JZ4036 [2,0,0,0,0,0|1,0,1]=4 223 B8R1.2 OCC1=CC=CC=C1 HL1271 [2,0,0,0,0,0|0,0,0]=2 224 B8R1.2 OCC1=CC=CC=N1 LT2170 [2,0,0,0,0,0|1,0,0]=3 225 B8R1.2 OCC1=CN=CC=C1 HL1274 [2,0,0,0,0,0|1,0,0]=3 226 B8R1.2 OCC1=CN=CN=C1 LX3222 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.2 OCC1=NC=CN=C1 YH13049 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.2 OCC1=NC=NC=C1 YH55246 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.2 O[Hg]C1=CC=CC=C1 LQ3360 [2,0,0,0,0,0|1,0,0]=3 230 B8R1.2 SCC1=CC=CC=C1 HL1273 [2,0,0,0,0,0|0,1,0]=3 231 B8R1.2 [C-]#CC1=CC=CC=C1 JZ3648 [2,0,0,0,0,0|0,0,2]=4 232 B8R1.2 [C-]#[N+]C1=CC=CC=C1 YH65599 [2,0,0,0,0,0|1,0,1]=4 233 B10R0.71 C\C=C\C=C\C=C/C=C/C=O RT17883 [0,1,1,0,0,0|0,0,2]=4 234 B10R1.1 Br\C=C\C1=CC=C(Br)C=C1 RT6387 [1,1,0,0,0,0|1,0,0]=3 235 B10R1.1 CC1=CC=C(CCN)C=C1 XJ2410 [1,1,0,0,0,0|1,0,1]=4 236 B10R1.1 CCCC1=CC=C(N)C=C1 XJ2253 [1,1,0,0,0,0|0,0,2]=4 237 B10R1.1 CCNC1=CC=C(C)C=C1 JZ4006 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.1 CCNC1=CC=C(Cl)C=C1 YH66088 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.1 CCOC1=CC=C(I)C=C1 LQ1391 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.1 CCOC1=CC=C(N)C=C1 RT3081 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.1 CCOC1=CC=C(O)C=C1 JZ4008 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.1 COCC1=CC=C(O)C=C1 YH05854 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.1 ClC1=CC=C(CCBr)C=C1 XJ3158 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.1 ClC1=CC=C(\C=C\Br)C=C1 RT6043 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.1 FC1=CC=C(CCBr)C=C1 RT12501 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.1 NCCC1=CC=C(Br)C=C1 LL1320 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.1 NCCC1=CC=C(Cl)C=C1 LQ0644 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.1 NCCC1=CC=C(F)C=C1 LT3075 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.1 NCCC1=CC=C(N)C=C1 LT0213 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.1 NCCC1=CC=C(O)C=C1 RT6525 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.1 NCCC1=CC=C(O)C=C1 YH09355 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.1 O=CCC1=CC=C(F)C=C1 YH40007 [1,1,0,0,0,0|0,0,2]=4 253 B10R1.1 O=CCC1=CC=C(O)C=C1 RT6375 [1,1,0,0,0,0|0,0,2]=4 254 B10R1.1 OCCC1=CC=C(Br)C=C1 LQ2719 [1,1,0,0,0,0|0,0,1]=3 255 B10R1.1 OCCC1=CC=C(F)C=C1 LT2419 [1,1,0,0,0,0|0,0,1]=3 256 B10R1.1 OCCC1=CC=C(O)C=C1 RT12563 [1,1,0,0,0,0|0,0,1]=3 257 B10R1.1 O\N=C\C1=CC=C(F)C=C1 YH02278 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.4 Br\C=C\C1=CC=CC=C1Br RT6046 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.4 CC1=NC=CC=C1CCO RT8739 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.4 CCCC1=CC=CC=C1O JZ4091 [1,1,0,0,0,0|0,0,2]=4 261 B10R1.4 CCOC1=C(Br)C=CC=C1 XJ1001 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.4 CCOC1=C(Cl)C=CC=C1 HL0191 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.4 CCOC1=C(F)C=CC=C1 LT6548 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.4 CCOC1=C(O)C=CC=C1 LQ0245 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.4 NC1=CC=CC=C1CCO YH05747 [1,1,0,0,0,0|0,0,1]=3 266 B10R1.4 NC1=NC=CC=C1\C=N\O LT3306 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.4 NCCC1=CC=CC=C1Br XJ6027 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.4 NCCC1=CC=CC=C1O RT6527 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.4 N\N=C\C1=CC=CC=C1O XJ2447 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.4 O=CCC1=C(Cl)C=CC=C1 LQ2618 [1,1,0,0,0,0|0,0,2]=4 271 B10R1.4 O=CCC1=CC=CC=C1F XJ6347 [1,1,0,0,0,0|0,0,2]=4 272 B10R1.4 OCCC1=CC=CC=C1Br JZ4362 [1,1,0,0,0,0|0,0,1]=3 273 B10R1.4 ONCC1=CC=CC=C1Cl JZ2761 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.4 O\N=C/C1=C(O)C=CC=C1 JZ1751 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.4 O\N=C\C1=C(Cl)C=CC=C1 JZ1723 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.4 O\N=C\C1=CC=CC=C1Cl HL2579 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.10 CC1=CC(NC=O)=CC=C1 HL2478 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.10 CC1=CC=CC(CCO)=N1 CJ3011 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.10 CCCC1=CC(N)=CC=C1 YH65505 [1,1,0,0,0,0|0,0,2]=4 280 B10R1.10 CCOC1=CC(Br)=CC=C1 XJ2220 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.10 CCOC1=CC(F)=CC=C1 HL1827 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.10 CCOC1=CC=CC(O)=C1 JZ3968 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.10 CNCC1=CC(Br)=CC=C1 HL4336 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.10 NC1=CC(CCO)=CC=C1 XJ5592 [1,1,0,0,0,0|0,0,1]=3 285 B10R1.10 NCCC1=CC(F)=CC=C1 YH59765 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.10 NCCC1=CC=CC(Br)=C1 YH08740 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.10 NCCC1=CC=CC(O)=C1 YH55865 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.10 O=CCC1=CC(F)=CC=C1 YH17193 [1,1,0,0,0,0|0,0,2]=4 289 B10R1.10 OCCC1=CC(Br)=CC=C1 YH51734 [1,1,0,0,0,0|0,0,1]=3 290 B10R1.10 OCCC1=CC=CC(O)=C1 YH66577 [1,1,0,0,0,0|0,0,1]=3 291 B10R1.10 OCCC1=NC=CC(Cl)=C1 RT9226 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.15 BrCC(Br)C1=CC=CC=C1 HL1223 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.15 C1=CC=C(C(=O)OC)C=C1 LQ3514 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.15 CC(C=O)C1=CC=CC=C1 HL1224 [1,1,0,0,0,0|0,0,2]=4 295 B10R1.15 CC(CBr)C1=CC=CC=C1 HL0832 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.15 CCC(=O)C1=CC=CN=C1 JZ4667 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.15 CCC(C)C1=CC=CC=C1 LL0562 [1,1,0,0,0,0|0,0,2]=4 298 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 HL2472 [1,1,0,0,0,0|0,0,2]=4 299 B10R1.15 CN(C=O)C1=CC=CC=C1 JZ0143 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.15 CNC(=O)C1=CC=CC=C1 HL0175 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.15 CNC(=O)C1=NC=CC=C1 RT3529 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.15 COC(=N)C1=NC=CC=C1 RT4090 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.15 COC(=O)C1=CC=CN=C1 JZ0756 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.15 COC(=O)C1=CC=NC=C1 RT1566 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.15 NCC(=O)C1=CC=CC=C1 LT5895 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.15 NCC(=O)C1=CC=CN=C1 RT4369 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.15 NNC(=O)C1=CC=CC=C1 LT4155 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.15 N\C(=N/O)C1=CC=CC=C1 HL0174 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.15 N\C(=N/O)C1=CC=CN=C1 XJ1823 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.15 O=C(CBr)C1=CC=CC=C1 RT11120 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.15 O=C(CBr)C1=CC=CC=C1 YH43692 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.15 O=C(CBr)C1=CC=NC=C1 XJ2872 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.15 O=C(CBr)C1=NC=CC=C1 LQ4012 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.15 O=C(CCl)C1=CC=CC=C1 LT3832 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.15 O=C(NO)C1=CC=CC=C1 LT6975 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.15 OC(CCl)C1=CC=CC=C1 LQ1871 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 LT6111 [1,1,0,0,0,0|0,0,1]=3 318 B10R1.15 OC[C@H](O)C1=CC=CC=C1 LT6110 [1,1,0,0,0,0|0,0,1]=3 319 B10R1.15 [C@H](N)(CO)C1=CC=CC=C1 RT1705 [1,1,0,0,0,0|0,0,1]=3 320 B10R1.18 BrC(Br)=CC1=CC=CC=C1 YH16676 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.18 CC(=O)CC1=CC=CC=C1 YH22297 [1,1,0,0,0,0|0,0,1]=3 322 B10R1.18 CC(=O)CC1=CC=NC=C1 LQ3035 [1,1,0,0,0,0|1,0,1]=4 323 B10R1.18 CC(=O)NC1=NC=CC=C1 LQ2855 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.18 CC(=O)OC1=NC=CC=C1 RT9785 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.18 CC(=S)NC1=CC=CC=C1 JZ4043 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.18 CC(C)NC1=CC=CC=C1 HL0393 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.18 CN(C)CC1=CC=CC=C1 YH22302 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.18 CS(=O)CC1=CC=CC=C1 RT13178 [1,1,0,0,0,0|1,0,1]=4 329 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 YH66589 [1,1,0,0,0,0|0,0,2]=4 330 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 RT11145 [1,1,0,0,0,0|0,0,1]=3 331 B10R1.18 FC(F)OC1=CC=CC=C1 HL1835 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.18 N=C(N)NC1=CC=CC=C1 LQ3733 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.18 N=C(N)NC1=CC=CC=C1 YH65018 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.18 NC(=O)CC1=CC=CC=C1 LL0344 [1,1,0,0,0,0|0,0,2]=4 335 B10R1.18 NC(=O)NC1=CC=CC=C1 XJ0031 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.18 NC(=O)OC1=CC=CC=C1 JZ4003 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.18 NC(=S)CC1=CC=CC=C1 XJ1206 [1,1,0,0,0,0|0,1,1]=4 338 B10R1.18 O=C(Cl)CC1=CC=CC=C1 LL0343 [1,1,0,0,0,0|0,0,2]=4 339 B10R1.18 O=C(Cl)OC1=CC=CC=C1 LQ1974 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.18 O=C(O)CC1=CC=CC=C1 LL0345 [1,1,0,0,0,0|0,0,1]=3 341 B10R1.18 O=C(O)CC1=CC=CN=C1 LT2642 [1,1,0,0,0,0|1,0,1]=4 342 B10R1.18 O=C(O)CC1=CC=CN=C1 XJ0855 [1,1,0,0,0,0|1,0,1]=4 343 B10R1.18 O=C(O)CC1=CC=NC=C1 JZ0762 [1,1,0,0,0,0|1,0,1]=4 344 B10R1.18 O=C(O)CC1=CC=NC=C1 LT3467 [1,1,0,0,0,0|1,0,1]=4 345 B10R1.18 O=C(O)CC1=NC=CC=C1 JZ0740 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.18 O=C(O)CC1=NC=CC=C1 YH65464 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.18 S=C(Cl)OC1=CC=CC=C1 HL0590 [1,1,0,0,0,0|1,1,0]=4 348 B10R1.66 O=C(O)\C=C\C1=CC=CO1 YH06064 [0,1,0,0,1,0|1,0,1]=4 349 B12R1.1 OCCNCC1=CC=C(F)C=C1 LX3035 [0,2,0,0,0,0|0,0,2]=4 350 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 RT11080 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 XJ0996 [0,2,0,0,0,0|1,0,1]=4 352 B12R1.16 CCOC(=N)C1=CC=C(Cl)C=C1 RT12541 [0,2,0,0,0,0|2,0,0]=4 353 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 HL3014 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 LQ3269 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 CJ2917 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 SY0289 [0,2,0,0,0,0|2,0,0]=4 357 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 YH48180 [0,2,0,0,0,0|2,0,0]=4 358 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 LX2785 [0,2,0,0,0,0|0,0,2]=4 359 B12R1.16 N[C@H](CCO)C1=CC=C(F)C=C1 YH47867 [0,2,0,0,0,0|0,0,2]=4 360 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 LT4187 [0,2,0,0,0,0|1,0,1]=4 361 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 LQ0709 [0,2,0,0,0,0|1,0,1]=4 362 B12R1.16 O=C(CCCl)C1=CC=C(O)C=C1 RT10798 [0,2,0,0,0,0|1,0,1]=4 363 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 RT12643 [0,2,0,0,0,0|0,0,2]=4 364 B12R1.21 C[C@@H](O)CCC1=CC=C(O)C=C1 YH03782 [0,2,0,0,0,0|0,0,2]=4 365 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 RT11084 [0,2,0,0,0,0|0,0,1]=3 366 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 XJ1623 [0,2,0,0,0,0|0,0,1]=3 367 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 RT6457 [0,2,0,0,0,0|0,0,1]=3 368 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 LT2333 [0,2,0,0,0,0|0,0,1]=3 369 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 XJ0856 [0,2,0,0,0,0|0,0,1]=3 370 B12R1.21 O=C(O)\C=C\C1=CC=C(S)C=C1 RT13144 [0,2,0,0,0,0|0,0,1]=3 371 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 RT15818 [0,2,0,0,0,0|2,0,0]=4 372 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 LT7646 [0,2,0,0,0,0|0,0,2]=4 373 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 LL1272 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.69 NC1=CC=C(OCCO)C(N)=C1 LL1273 [0,2,0,0,0,0|1,0,1]=4 375 B12R1.69 NC1=CC=C(OCCO)C(N)=C1 YH12748 [0,2,0,0,0,0|1,0,1]=4 376 B12R1.69 OCCCC1=CC=C(O)C=C1O CJ2821 [0,2,0,0,0,0|0,0,2]=4 377 B12R1.71 O=CC1=CC=C(OCCO)C=C1 JZ5493 [0,2,0,0,0,0|1,0,1]=4 378 B12R1.3 CNC(CCO)C1=CC=CC=C1 RT3227 [0,2,0,0,0,0|0,0,2]=4 379 B12R1.17 CCOC(=O)C1=CC(C)=CC=C1 LL0469 [0,2,0,0,0,0|2,0,0]=4 380 B12R1.17 CCOC(=O)C1=CC(Cl)=CC=C1 HL0704 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.17 CCOC(=O)C1=CC(F)=CC=C1 XJ0783 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 XJ0992 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.17 CCOC(=O)C1=CC(O)=CC=C1 XJ3351 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 YH13662 [0,2,0,0,0,0|0,0,2]=4 385 B12R1.17 N[C@H](CCO)C1=CC=CC(Br)=C1 YH66650 [0,2,0,0,0,0|0,0,2]=4 386 B12R1.17 N[C@H](CCO)C1=CC=CC(Br)=C1 YH66666 [0,2,0,0,0,0|0,0,2]=4 387 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HL0607 [0,2,0,0,0,0|1,0,1]=4 388 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HL2226 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.30 CN(\C=C\C=O)C1=CC=CC=C1 JZ0142 [0,2,0,0,0,0|0,0,2]=4 390 B12R1.30 O=C(CCCO)C1=CC=CN=C1 RT9397 [0,2,0,0,0,0|1,0,1]=4 391 B12R1.30 O=C(OCCO)C1=CC=CC=C1 RT0571 [0,2,0,0,0,0|0,0,1]=3 392 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 YH42419 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.34 CCC(Br)C(=O)C1=CC=CC=C1 RT12924 [0,2,0,0,0,0|1,0,1]=4 394 B12R1.34 COC(=O)C(=O)C1=CC=CC=C1 LT5550 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 RT1894 [0,2,0,0,0,0|0,0,2]=4 396 B12R1.34 N[C@H](CO)[C@H](O)C1=CC=CC=C1 YH02322 [0,2,0,0,0,0|0,0,2]=4 397 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 CJ3357 [0,2,0,0,0,0|0,0,2]=4 398 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 JZ4501 [0,2,0,0,0,0|0,0,1]=3 399 B12R1.308 CC1=CC=CC=C1C(N)CCO RT12768 [0,2,0,0,0,0|0,0,2]=4 400 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 LQ0202 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=C1 LQ3267 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 LL0830 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 HL2008 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.308 O=C(NCO)C1=CC=CC=C1O YH32384 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.125 NC1=NC=CC=C1\C=C\C(=O)O HL4608 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br RT6378 [0,2,0,0,0,0|0,0,1]=3 407 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HL0187 [0,2,0,0,0,0|0,0,1]=3 408 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O XJ1000 [0,2,0,0,0,0|0,0,1]=3 409 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1Cl LQ2426 [0,2,0,0,0,0|1,0,1]=4 410 B12R1.267 CCO\C=C\C1=CC=CC=C1Cl RT6428 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.371 CC1=CC=CC=C1NC(=O)CCl YH66095 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.226 CC(=O)\C=C\C1=CC=CC(O)=C1 RT12436 [0,2,0,0,0,0|0,0,2]=4 413 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 XJ5126 [0,2,0,0,0,0|0,0,1]=3 414 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 HL1833 [0,2,0,0,0,0|0,0,1]=3 415 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 JZ5420 [0,2,0,0,0,0|0,0,1]=3 416 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 YH35497 [0,2,0,0,0,0|0,0,1]=3 417 B12R1.8 C=C\C=C\C=C\C1=CC=CC=C1 XJ3475 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.8 CNCC\C=C\C1=CC=CN=C1 RT17966 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.8 N#C\C=C\C=C\C1=CC=CC=C1 XJ3474 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.8 O=COC\C=C\C1=CC=CC=C1 XJ0283 [0,2,0,0,0,0|0,0,0]=2 421 B12R1.8 OCCCOCC1=CC=CC=C1 JZ2614 [0,2,0,0,0,0|0,0,2]=4 422 B12R1.27 CCC(=O)OCC1=CC=CC=C1 LT4168 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.27 NCC(=O)OCC1=CC=CC=C1 JZ4757 [0,2,0,0,0,0|1,0,1]=4 424 B12R1.27 NCC(=O)OCC1=CC=CC=C1 RT5531 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.27 O=C(C#CC1=CC=CC=C1)CCl RT12399 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 YH49901 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 XJ0546 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.27 O=C(CO)OCC1=CC=CC=C1 RT12484 [0,2,0,0,0,0|0,0,1]=3 429 B12R1.27 OCC(O)COC1=CC=CC=C1 LT3080 [0,2,0,0,0,0|0,0,2]=4 430 B12R1.32 CCCC(=O)CC1=CC=CC=C1 RT12903 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.32 CCOC(=O)NC1=CC=CC=C1 LQ0343 [0,2,0,0,0,0|2,0,0]=4 432 B12R1.32 CN(CCO)CC1=CC=CC=C1 RT11841 [0,2,0,0,0,0|0,0,2]=4 433 B12R1.252 CC(O)COCC1=CC=CC=C1 RT12344 [0,2,0,0,0,0|0,0,2]=4 434 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 RT12731 [0,2,0,0,0,0|0,0,2]=4 435 B12R1.252 O=C(O)CCCC1=CC=CC=C1 RT12403 [0,2,0,0,0,0|0,0,2]=4 436 B12R1.252 O=C(O)CCOC1=CC=CC=C1 LT6842 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.252 O=C(O)CNCC1=CC=CC=C1 YH18010 [0,2,0,0,0,0|1,0,1]=4 438 B12R1.252 O=C(O)COCC1=CC=CC=C1 YH53105 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 LQ2010 [0,2,0,0,0,0|0,0,0]=2 440 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O JZ1061 [0,2,0,0,0,0|0,0,2]=4 441 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O XJ2931 [0,2,0,0,0,0|0,0,2]=4 442 B12R1.43 N\C(=C/C1=CC=CC=C1)C(=O)O RT5134 [0,2,0,0,0,0|0,0,1]=3 443 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 LQ0738 [0,2,0,0,0,0|0,0,1]=3 444 B12R1.43 O=C(O)\C(F)=C\C1=CC=CN=C1 RT7777 [0,2,0,0,0,0|1,0,1]=4 445 B12R1.118 N#CC(C#N)=CC1=CC=CC=C1 XJ2257 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 XJ3854 [0,2,0,0,0,0|0,0,2]=4 447 B10R1.30 CC1=CC=C(C)C(CO)=C1 LQ5315 [0,0,1,1,0,0|0,0,2]=4 448 B10R1.30 NC1=CC=C(Cl)C(CO)=C1 YH94191 [0,0,1,1,0,0|2,0,0]=4 449 B10R1.30 OCC1=C(Br)C=CC(F)=C1 YH44611 [0,0,1,1,0,0|2,0,0]=4 450 B10R1.30 OCC1=C(F)C=CC(Br)=C1 XJ6719 [0,0,1,1,0,0|2,0,0]=4 451 B10R1.30 OCC1=CC(F)=CC=C1O LT3858 [0,0,1,1,0,0|2,0,0]=4 452 B10R1.172 COC1=CC=CC(CO)=C1 LT2556 [0,0,1,1,0,0|1,0,1]=4 453 B10R1.172 OCC1=CC=CC(CO)=C1 HL0222 [0,0,1,1,0,0|1,0,1]=4 454 B10R1.176 C=CC1=CC=C(O)C(O)=C1 RT11606 [0,0,1,1,0,0|1,0,1]=4 455 B10R2.6 C1=CC=C(C2CN2)C=C1 RT8683 [1,0,0,1,0,0|1,0,1]=4 456 B10R2.6 C1=CC=C(C2CO2)C=C1 XJ4585 [1,0,0,1,0,0|0,0,1]=3 457 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 XJ4586 [1,0,0,1,0,0|0,0,1]=3 458 B10R2.7 B1OC2=C(C=CC=C2)O1 LL0610 [1,0,0,1,0,0|2,0,0]=4 459 B10R2.7 C1=CC2=C(C=C1)CNC2 LL0906 [1,0,0,1,0,0|1,0,1]=4 460 B10R2.7 C1=CC2=C(C=C1)CNC2 LX2633 [1,0,0,1,0,0|1,0,1]=4 461 B10R2.7 C1=CC2=C(C=C1)NC=C2 SY0038 [1,0,0,1,0,0|1,0,0]=3 462 B10R2.7 C1=CC2=C(C=C1)SC=C2 LT0724 [1,0,0,1,0,0|0,1,0]=3 463 B10R2.7 C1=CC2=C(C=N1)OC=C2 XJ4535 [1,0,0,1,0,0|1,0,0]=3 464 B10R2.7 C1=CC2=CC=NC=C2N1 LL0597 [1,0,0,1,0,0|2,0,0]=4 465 B10R2.7 C1=CC2=CN=CC=C2N1 LL0598 [1,0,0,1,0,0|2,0,0]=4 466 B10R2.7 C1=CC2=CN=CC=C2S1 RT10481 [1,0,0,1,0,0|1,1,0]=4 467 B10R2.7 C1=CC2=NC=CN2C=C1 LL0611 [1,0,0,1,0,0|2,0,0]=4 468 B10R2.7 C1=CC=C2CC=CC2=C1 LQ0257 [1,0,0,1,0,0|0,0,0]=2 469 B10R2.7 C1=CC=C2NCCC2=C1 JZ1571 [1,0,0,1,0,0|1,0,1]=4 470 B10R2.7 C1=CC=C2NN=CC2=C1 LT1127 [1,0,0,1,0,0|2,0,0]=4 471 B10R2.7 C1=CC=C2OC=NC2=C1 LL0609 [1,0,0,1,0,0|1,0,0]=3 472 B10R2.7 C1=CC=C2OCCC2=C1 YH03385 [1,0,0,1,0,0|0,0,1]=3 473 B10R2.7 C1=CC=C2SC=CC2=C1 JZ3503 [1,0,0,1,0,0|0,1,0]=3 474 B10R2.7 C1=CN=C2C=CNC2=C1 LL0604 [1,0,0,1,0,0|2,0,0]=4 475 B10R2.7 C1=CN=C2NC=CC2=C1 LT6084 [1,0,0,1,0,0|2,0,0]=4 476 B10R2.320 O=C1CC2=CC=CC=C12 YH55957 [1,0,0,1,0,0|0,0,2]=4 477 B12R2.24 BrC1=CC2=C(C=C1)CCC=C2 CJ2974 [0,1,0,1,0,0|1,0,0]=3 478 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 YH56008 [0,1,0,1,0,0|2,0,0]=4 479 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 LQ0656 [0,1,0,1,0,0|1,0,1]=4 480 B12R2.24 BrC1=CC=C2C=CC=CC2=C1 XJ0974 [0,1,0,1,0,0|1,0,1]=4 481 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 XJ2819 [0,1,0,1,0,0|1,0,1]=4 482 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 LQ5444 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 XJ5183 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 RT7804 [0,1,0,1,0,0|1,0,1]=4 485 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 LT6482 [0,1,0,1,0,0|1,0,1]=4 486 B12R2.24 CC1=CC2=CC=CC=C2C=C1 LT6594 [0,1,0,1,0,0|1,0,1]=4 487 B12R2.24 CC1=CC2=CC=CC=C2C=N1 HL0684 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.24 CC1=CC2=CC=CC=C2N=C1 HL0146 [0,1,0,1,0,0|1,0,1]=4 489 B12R2.24 CC1=CC=C2C=CC=NC2=C1 JZ0093 [0,1,0,1,0,0|1,0,1]=4 490 B12R2.24 CC1=CC=C2C=CN=CC2=C1 YH06101 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.24 CC1=CC=C2C=NC=CC2=C1 YH01057 [0,1,0,1,0,0|2,0,0]=4 492 B12R2.24 CC1=CC=C2N=CC=CC2=C1 XJ0200 [0,1,0,1,0,0|1,0,1]=4 493 B12R2.24 ClC1=CC2=CC=CC=C2C=C1 YH95514 [0,1,0,1,0,0|1,0,1]=4 494 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 HL0145 [0,1,0,1,0,0|1,0,1]=4 495 B12R2.24 ClC1=NC2=C(C=CC=C2)C=C1 HL0147 [0,1,0,1,0,0|1,0,1]=4 496 B12R2.24 FC1=CC2=C(C=C1)OCCC2 RT8167 [0,1,0,1,0,0|0,0,2]=4 497 B12R2.24 NC1=CC2=C(C=C1)OCCO2 JZ5481 [0,1,0,1,0,0|1,0,1]=4 498 B12R2.24 NC1=CC2=CC=CC=C2C=N1 XJ4820 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.24 NC1=CC2=CN=CC=C2C=C1 YH65501 [0,1,0,1,0,0|2,0,0]=4 500 B12R2.24 NC1=CC=C2C=CC=NC2=C1 XJ0978 [0,1,0,1,0,0|1,0,1]=4 501 B12R2.24 NC1=CC=C2C=NC=CC2=C1 XJ4720 [0,1,0,1,0,0|2,0,0]=4 502 B12R2.24 NC1=CC=C2N=CC=CC2=C1 LT0988 [0,1,0,1,0,0|1,0,1]=4 503 B12R2.24 NC1=CC=C2N=CC=CC2=C1 XJ0975 [0,1,0,1,0,0|1,0,1]=4 504 B12R2.24 NC1=NC2=CC=CC=C2C=C1 LT0815 [0,1,0,1,0,0|1,0,1]=4 505 B12R2.24 O=C1C=CC2=C(C=CC=C2)N1 JZ0091 [0,1,0,1,0,0|0,0,2]=4 506 B12R2.24 O=C1C=CC2=CC=CC=C2O1 JZ0028 [0,1,0,1,0,0|0,0,1]=3 507 B12R2.24 O=C1N=CC2=CC=CC=C2O1 RT8742 [0,1,0,1,0,0|1,0,1]=4 508 B12R2.24 O=N1=CC2=CC=CC=C2C=C1 LQ1854 [0,1,0,1,0,0|1,0,1]=4 509 B12R2.24 OC1=CC2=C(C=C1)CCCO2 CJ2931 [0,1,0,1,0,0|0,0,2]=4 510 B12R2.24 OC1=CC2=C(C=C1)OCCC2 CJ2929 [0,1,0,1,0,0|0,0,2]=4 511 B12R2.24 OC1=CC2=C(C=CN=C2)C=C1 LQ3306 [0,1,0,1,0,0|1,0,1]=4 512 B12R2.24 OC1=CC2=CC=CC=C2C=C1 JZ1057 [0,1,0,1,0,0|0,0,1]=3 513 B12R2.24 OC1=CC2=CC=CC=C2N=C1 XJ0977 [0,1,0,1,0,0|1,0,1]=4 514 B12R2.24 OC1=CC=C2C=CC=NC2=C1 XJ0979 [0,1,0,1,0,0|1,0,1]=4 515 B12R2.24 OC1=CC=C2N=CC=CC2=C1 JZ1203 [0,1,0,1,0,0|1,0,1]=4 516 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LQ1745 [0,1,0,1,0,0|0,0,1]=3 517 B12R2.24 OC1=NC2=CC=CC=C2C=C1 LT1758 [0,1,0,1,0,0|0,0,1]=3 518 B12R2.24 SC1=CC=C2C=CC=CC2=C1 LT1182 [0,1,0,1,0,0|0,1,1]=4 519 B12R2.24 SC1=NC2=CC=CC=C2C=C1 LT0848 [0,1,0,1,0,0|0,1,1]=4 520 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 YH39555 [0,1,0,1,0,0|0,0,1]=3 521 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 HL0312 [0,1,0,1,0,0|1,0,1]=4 522 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 YH45253 [0,1,0,1,0,0|1,0,1]=4 523 B12R2.2 C1=CC=C(C2=CSN=N2)C=C1 XJ4813 [0,1,0,1,0,0|2,0,0]=4 524 B12R2.2 C1=CC=C(C2=NC=CN2)C=C1 YH65873 [0,1,0,1,0,0|1,0,1]=4 525 B12R2.2 C1=CC=C(C2=NNC=C2)C=C1 XJ2210 [0,1,0,1,0,0|1,0,1]=4 526 B12R2.2 C1=CC=C(C2CCCO2)C=C1 YH37915 [0,1,0,1,0,0|0,0,2]=4 527 B12R2.2 C1=CC=C(N2C=CC=N2)C=C1 HL0687 [0,1,0,1,0,0|1,0,1]=4 528 B12R2.2 C1=CN=CC(C2=NCCO2)=C1 RT2485 [0,1,0,1,0,0|1,0,1]=4 529 B12R2.1081 BrC1=C2C=CC=NC2=CC=C1 XJ2815 [0,1,0,1,0,0|1,0,1]=4 530 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 HL4226 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.1081 BrC1=C2N=CC=CC2=CC=C1 LT2176 [0,1,0,1,0,0|1,0,1]=4 532 B12R2.1081 BrC1=CC=CC2=C1C=CN=C2 XJ5182 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.1081 BrC1=CC=CC2=C1N=NC=C2 CJ2961 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.1081 BrC1=CC=CC2=CC=CC=C12 XJ0159 [0,1,0,1,0,0|1,0,1]=4 535 B12R2.1081 BrC1=CC=NC2=CC=CC=C12 LT0896 [0,1,0,1,0,0|1,0,1]=4 536 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 LT3154 [0,1,0,1,0,0|1,0,1]=4 537 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 LQ1853 [0,1,0,1,0,0|1,0,1]=4 538 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 LQ1749 [0,1,0,1,0,0|1,0,1]=4 539 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 YH17881 [0,1,0,1,0,0|1,0,1]=4 540 B12R2.1081 CC1=C2C=NC=CC2=CC=C1 XJ5995 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.1081 CC1=CC=NC2=CC=CC=C12 LT5993 [0,1,0,1,0,0|1,0,1]=4 542 B12R2.1081 CC1=NC=CC2=CC=CC=C21 JZ4716 [0,1,0,1,0,0|1,0,1]=4 543 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 XJ0161 [0,1,0,1,0,0|1,0,1]=4 544 B12R2.1081 ClC1=CC=NC2=CC=CC=C12 XJ1119 [0,1,0,1,0,0|1,0,1]=4 545 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 LT0769 [0,1,0,1,0,0|1,0,1]=4 546 B12R2.1081 FC1=C2C=CC=CC2=CN=C1 YH65530 [0,1,0,1,0,0|1,0,1]=4 547 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 LL0535 [0,1,0,1,0,0|1,0,1]=4 548 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 HL3540 [0,1,0,1,0,0|1,0,1]=4 549 B12R2.1081 NC1=C2C=CN=CC2=CC=C1 HL0682 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.1081 NC1=CC=CC2=C1OCCO2 XJ4233 [0,1,0,1,0,0|1,0,1]=4 551 B12R2.1081 NC1=CC=CC2=CC=NC=C12 XJ4721 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.1081 NC1=CC=CC2=CC=NN=C12 CJ2839 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.1081 NC1=CC=CC2=NC=CC=C12 LT0957 [0,1,0,1,0,0|1,0,1]=4 554 B12R2.1081 NC1=CC=NC2=CC=CC=C12 JZ3845 [0,1,0,1,0,0|1,0,1]=4 555 B12R2.1081 NC1=CN=CC2=CC=CC=C12 JZ5615 [0,1,0,1,0,0|1,0,1]=4 556 B12R2.1081 NC1=CN=NC2=CC=CC=C12 LX2247 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.1081 O=C1C=CNC2=C1C=CC=C2 LT4054 [0,1,0,1,0,0|0,0,2]=4 558 B12R2.1081 O=C1CCCC2=C1C=CC=C2 RT11341 [0,1,0,1,0,0|1,0,1]=4 559 B12R2.1081 O=C1CCOC2=CC=CC=C12 LL0873 [0,1,0,1,0,0|0,0,1]=3 560 B12R2.1081 O=C1NCCC2=CC=CC=C12 JZ4485 [0,1,0,1,0,0|2,0,0]=4 561 B12R2.1081 O=C1OCCC2=CC=CC=C12 LQ2745 [0,1,0,1,0,0|2,0,0]=4 562 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 LQ1747 [0,1,0,1,0,0|0,0,1]=3 563 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 XJ0163 [0,1,0,1,0,0|0,0,1]=3 564 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 JZ1216 [0,1,0,1,0,0|1,0,1]=4 565 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 LT2173 [0,1,0,1,0,0|1,0,1]=4 566 B12R2.1081 OC1=C2OCCNC2=CC=C1 YH14849 [0,1,0,1,0,0|1,0,1]=4 567 B12R2.1081 OC1=CC=CC2=CC=CN=C12 JZ1217 [0,1,0,1,0,0|1,0,1]=4 568 B12R2.1081 OC1=CC=CC2=NC=CC=C12 JZ3844 [0,1,0,1,0,0|1,0,1]=4 569 B12R2.1081 OC1=CC=NC2=CC=CC=C12 LT0931 [0,1,0,1,0,0|0,0,1]=3 570 B12R2.1081 OC1=CC=NC2=CC=CN=C12 YH06261 [0,1,0,1,0,0|1,0,1]=4 571 B12R2.1081 OC1=CN=CC2=CC=CC=C12 YH55078 [0,1,0,1,0,0|0,0,1]=3 572 B12R2.1081 OC1=NC=CC2=CC=CC=C21 LL0870 [0,1,0,1,0,0|0,0,1]=3 573 B12R2.1081 OC1=NC=CC2=CC=CN=C21 YH13515 [0,1,0,1,0,0|1,0,1]=4 574 B12R2.1081 OC1=NC=NC2=CC=CC=C21 LL0872 [0,1,0,1,0,0|1,0,1]=4 575 B12R2.1081 OC1CCNC2=C1C=CC=C2 YH48820 [0,1,0,1,0,0|0,0,2]=4 576 B12R2.1081 OC1CNCC2=C1C=CC=C2 RT7798 [0,1,0,1,0,0|0,0,2]=4 577 B12R2.1081 SC1=C2C=CC=CC2=CC=C1 LQ0977 [0,1,0,1,0,0|0,1,1]=4 578 B12R2.1081 [O-]C1=C2N=CC=CC2=CC=C1 LT2267 [0,1,0,1,0,0|1,0,1]=4 579 B12R2.2028 CC1=CC(C)C2=C1C=CC=C2 YH66162 [0,1,0,1,0,0|1,0,0]=3 580 B12R2.2028 O=C1OC(Br)C2=C1C=CC=C2 JZ3058 [0,1,0,1,0,0|2,0,0]=4 581 B12R2.2028 O=C1OC(Cl)C2=CC=CC=C12 LQ3023 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 LQ2435 [0,1,0,1,0,0|1,0,1]=4 583 B12R2.32 BrCC1=NC2=CC=CC=C2S1 YH23298 [0,1,0,1,0,0|2,0,0]=4 584 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 XJ4312 [0,1,0,1,0,0|1,0,0]=3 585 B12R2.32 CCC1=CC2=C(C=CC=C2)N1 LQ2500 [0,1,0,1,0,0|1,0,0]=3 586 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 YH42114 [0,1,0,1,0,0|2,0,0]=4 587 B12R2.32 N#CC1=CC2=CC=CC=C2S1 XJ5759 [0,1,0,1,0,0|1,0,1]=4 588 B12R2.32 NCC1=NC2=CC=CC=C2N1 LQ3005 [0,1,0,1,0,0|2,0,0]=4 589 B12R2.32 O=CC1=CC2=CC=CC=C2S1 JZ2317 [0,1,0,1,0,0|0,0,2]=4 590 B12R2.32 OCC1=CC2=CC=CC=C2N1 YH49153 [0,1,0,1,0,0|0,0,0]=2 591 B12R2.32 ON=C1CC2=CC=CC=C2C1 HL2501 [0,1,0,1,0,0|1,0,1]=4 592 B12R2.196 CC1=CC=CC2=C1C=CC2C YH65961 [0,1,0,1,0,0|1,0,0]=3 593 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 JZ3361 [0,1,0,1,0,0|2,0,0]=4 594 B12R2.612 CN1C=CC2=CC(N)=CC=C21 HL3112 [0,1,0,1,0,0|2,0,0]=4 595 B12R2.1 BrCC1=NOC2=CC=CC=C21 LT5834 [0,1,0,1,0,0|2,0,0]=4 596 B12R2.1 CCN1C=CC2=CC=CC=C21 JZ3474 [0,1,0,1,0,0|1,0,0]=3 597 B12R2.1 ClCC1=CSC2=CC=CC=C12 LT0579 [0,1,0,1,0,0|1,0,0]=3 598 B12R2.1 NCC1=CSC2=CC=CC=C12 YH00100 [0,1,0,1,0,0|1,0,0]=3 599 B12R2.1 O=CC1=CNC2=C1C=CC=C2 LT2996 [0,1,0,1,0,0|0,0,2]=4 600 B12R2.1 O=CC1=CSC2=CC=CC=C12 YH05980 [0,1,0,1,0,0|0,0,2]=4 601 B12R2.1 OCC1=CNC2=C1C=CC=C2 LT4083 [0,1,0,1,0,0|0,0,0]=2 602 B12R2.1 OCC1=CNC2=CC=CC=C12 LT7617 [0,1,0,1,0,0|0,0,0]=2 603 B12R2.1 OCC1=NOC2=CC=CC=C21 YH66546 [0,1,0,1,0,0|1,0,0]=3 604 B12R2.2057 C1=CC=C(OC[C@@H]2CO2)C=C1 LT4982 [0,1,0,1,0,0|0,0,2]=4 605 B12R2.18 CC1=NC2=CC=CC=C2C1C LT0091 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.18 CC1C(=O)NC2=CC=CC=C21 LQ1788 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.18 OC1C2=C(C=CC=C2)CC1Br HL2931 [0,1,0,1,0,0|0,0,2]=4 608 B12R3.12 C1=CC=C2C(=C1)CC3OC23 YH17985 [0,0,0,2,0,0|0,0,2]=4 609 B8R1.8 OCCC1=CC=CS1 LT0210 [1,0,0,0,1,0|1,0,1]=4 610 B8R1.8 O\N=C\C1=CC=CS1 XJ4987 [1,0,0,0,1,0|2,0,0]=4